Cooperativity of self-organized Brownian motors pulling on soft cargoes

NASA Astrophysics Data System (ADS)

Orlandi, Javier G.; Blanch-Mercader, Carles; Brugués, Jan; Casademunt, Jaume

2010-12-01

We study the cooperative dynamics of Brownian motors moving along a one-dimensional track when an external load is applied to the leading motor, mimicking molecular motors pulling on membrane-bound cargoes in intracellular traffic. Due to the asymmetric loading, self-organized motor clusters form spontaneously. We model the motors with a two-state noise-driven ratchet formulation and study analytically and numerically the collective velocity-force and efficiency-force curves resulting from mutual interactions, mostly hard-core repulsion and weak (nonbinding) attraction. We analyze different parameter regimes including the limits of weak noise, mean-field behavior, rigid coupling, and large numbers of motors, for the different interactions. We present a general framework to classify and quantify cooperativity. We show that asymmetric loading leads generically to enhanced cooperativity beyond the simple superposition of the effects of individual motors. For weakly attracting interactions, the cooperativity is mostly enhanced, including highly coordinated motion of motors and complex nonmonotonic velocity-force curves, leading to self-regulated clusters. The dynamical scenario is enriched by resonances associated to commensurability of different length scales. Large clusters exhibit synchronized dynamics and bidirectional motion. Biological implications are discussed.

Tunable far infrared laser spectrometers

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

Blake, G.A.; Laughlin, K.B.; Cohen, R.C.

The state of the art in far infrared (FIR) spectroscopy is reviewed. The development of tunable, coherent FIR radiation sources is discussed. Applications of tunable FIR laser spectrometers for measurement of rotational spectra and dipole moments of molecular ions and free radicals, vibration-rotation-tunneling (VRT) spectra of weakly bound complexes, and vibration-rotation spectra of linear carbon clusters are presented. A detailed description of the Berkeley tunable FIR laser spectrometers is presented in the following article.

Orphan Spins in the S=5/2 Antiferromagnet CaFe_{2}O_{4}.

PubMed

Stock, C; Rodriguez, E E; Lee, N; Demmel, F; Fouquet, P; Laver, M; Niedermayer, Ch; Su, Y; Nemkovski, K; Green, M A; Rodriguez-Rivera, J A; Kim, J W; Zhang, L; Cheong, S-W

2017-12-22

CaFe_{2}O_{4} is an anisotropic S=5/2 antiferromagnet with two competing A (↑↑↓↓) and B (↑↓↑↓) magnetic order parameters separated by static antiphase boundaries at low temperatures. Neutron diffraction and bulk susceptibility measurements, show that the spins near these boundaries are weakly correlated and a carry an uncompensated ferromagnetic moment that can be tuned with a magnetic field. Spectroscopic measurements find these spins are bound with excitation energies less than the bulk magnetic spin waves and resemble the spectra from isolated spin clusters. Localized bound orphaned spins separate the two competing magnetic order parameters in CaFe_{2}O_{4}.

Orphan Spins in the S =5/2 Antiferromagnet CaFe2O4

NASA Astrophysics Data System (ADS)

Stock, C.; Rodriguez, E. E.; Lee, N.; Demmel, F.; Fouquet, P.; Laver, M.; Niedermayer, Ch.; Su, Y.; Nemkovski, K.; Green, M. A.; Rodriguez-Rivera, J. A.; Kim, J. W.; Zhang, L.; Cheong, S.-W.

2017-12-01

CaFe2O4 is an anisotropic S =5/2 antiferromagnet with two competing A (↑↑↓↓) and B (↑↓↑↓) magnetic order parameters separated by static antiphase boundaries at low temperatures. Neutron diffraction and bulk susceptibility measurements, show that the spins near these boundaries are weakly correlated and a carry an uncompensated ferromagnetic moment that can be tuned with a magnetic field. Spectroscopic measurements find these spins are bound with excitation energies less than the bulk magnetic spin waves and resemble the spectra from isolated spin clusters. Localized bound orphaned spins separate the two competing magnetic order parameters in CaFe2 O4 .

A dual cryogenic ion trap spectrometer for the formation and characterization of solvated ionic clusters

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

Marsh, Brett M.; Voss, Jonathan M.; Garand, Etienne, E-mail: egarand@chem.wisc.edu

2015-11-28

A new experimental approach is presented in which two separate cryogenic ion traps are used to reproducibly form weakly bound solvent clusters around electrosprayed ions and messenger-tag them for single-photon infrared photodissociation spectroscopy. This approach thus enables the vibrational characterization of ionic clusters comprised of a solvent network around large and non-volatile ions. We demonstrate the capabilities of the instrument by clustering water, methanol, and acetone around a protonated glycylglycine peptide. For water, cluster sizes with greater than twenty solvent molecules around a single ion are readily formed. We further demonstrate that similar water clusters can be formed around ionsmore » having a shielded charge center or those that do not readily form hydrogen bonds. Finally, infrared photodissociation spectra of D{sub 2}-tagged GlyGlyH{sup +} ⋅ (H{sub 2}O){sub 1−4} are presented. They display well-resolved spectral features and comparisons with calculations reveal detailed information on the solvation structures of this prototypical peptide.« less

A dual cryogenic ion trap spectrometer for the formation and characterization of solvated ionic clusters

DOE PAGES

Marsh, Brett M.; Voss, Jonathan M.; Garand, Etienne

2015-11-24

A new experimental approach is presented in which two separate cryogenic ion traps are used to reproducibly form weakly bound solvent clusters around electrosprayed ions and messenger-tag them for single-photon infrared photodissociation spectroscopy. This approach thus enables the vibrational characterization of ionic clusters comprised of a solvent network around large and non-volatile ions. We demonstrate the capabilities of the instrument by clustering water, methanol, and acetone around a protonated glycylglycine peptide. For water, cluster sizes with greater than twenty solvent molecules around a single ion are readily formed. We further demonstrate that similar water clusters can be formed around ionsmore » having a shielded charge center or those that do not readily form hydrogen bonds. Finally, infrared photodissociation spectra of D 2-tagged GlyGlyH +·(H 2O) 1–4 are presented. As a result, they display well-resolved spectral features and comparisons with calculations reveal detailed information on the solvation structures of this prototypical peptide.« less

MATTER IN THE BEAM: WEAK LENSING, SUBSTRUCTURES, AND THE TEMPERATURE OF DARK MATTER

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

Mahdi, Hareth S.; Elahi, Pascal J.; Lewis, Geraint F.

2016-08-01

Warm dark matter (WDM) models offer an attractive alternative to the current cold dark matter (CDM) cosmological model. We present a novel method to differentiate between WDM and CDM cosmologies, namely, using weak lensing; this provides a unique probe as it is sensitive to all of the “matter in the beam,” not just dark matter haloes and the galaxies that reside in them, but also the diffuse material between haloes. We compare the weak lensing maps of CDM clusters to those in a WDM model corresponding to a thermally produced 0.5 keV dark matter particle. Our analysis clearly shows thatmore » the weak lensing magnification, convergence, and shear distributions can be used to distinguish between CDM and WDM models. WDM models increase the probability of weak magnifications, with the differences being significant to ≳5 σ , while leaving no significant imprint on the shear distribution. WDM clusters analyzed in this work are more homogeneous than CDM ones, and the fractional decrease in the amount of material in haloes is proportional to the average increase in the magnification. This difference arises from matter that would be bound in compact haloes in CDM being smoothly distributed over much larger volumes at lower densities in WDM. Moreover, the signature does not solely lie in the probability distribution function but in the full spatial distribution of the convergence field.« less

Estimation of Free Radical Ionization Energies by the Kinetic Method and the Relationship between the Kinetic Method and the Hammett Equation.

PubMed

Chen, G; Wong, P; Cooks, R G

1997-09-01

Substituted 1,2-diphenylethanes undergo competitive dissociations upon electron ionization (EI) to generate substituted benzyl cation and benzyl radical pairs. Application of the kinetic method to the previous reported EI mass spectra of these covalently bound precursor ions (data are taken from McLafferty et al. J. Am. Chem. Soc. 1970, 92, 6867)) is used to estimate the ionization energies of substituted benzyl free radicals. A correlation is observed between the Hammett σ constant of the substituents and the kinetic method parameter, ln(k(x)/k(H)), where k(x) is the rate of fragmentation to give the substituted product ion and k(H) is the rate to give the benzyl ion itself. Systems involving weakly bound cluster ions, including proton-bound dimers of meta- and para-substituted pyridines and meta- and para-substituted anilines, and electron-bound dimers of meta- and para-substituted nitrobenzenes, also show good correlations between the kinetic method parameter and the Hammett σ constant.

Unraveling the benzocaine-receptor interaction at molecular level using mass-resolved spectroscopy.

PubMed

Aguado, Edurne; León, Iker; Millán, Judith; Cocinero, Emilio J; Jaeqx, Sander; Rijs, Anouk M; Lesarri, Alberto; Fernández, José A

2013-10-31

The benzocaine-toluene cluster has been used as a model system to mimic the interaction between the local anesthetic benzocaine and the phenylalanine residue in Na(+) channels. The cluster was generated in a supersonic expansion of benzocaine and toluene in helium. Using a combination of mass-resolved laser-based experimental techniques and computational methods, the complex was fully characterized, finding four conformational isomers in which the molecules are bound through N-H···π and π···π weak hydrogen bonds. The structures of the detected isomers closely resemble those predicted for benzocaine in the inner pore of the ion channels, giving experimental support to previously reported molecular chemistry models.

Direct evidence for radiative charge transfer after inner-shell excitation and ionization of large clusters

NASA Astrophysics Data System (ADS)

Hans, Andreas; Stumpf, Vasili; Holzapfel, Xaver; Wiegandt, Florian; Schmidt, Philipp; Ozga, Christian; Reiß, Philipp; Ben Ltaief, Ltaief; Küstner-Wetekam, Catmarna; Jahnke, Till; Ehresmann, Arno; Demekhin, Philipp V.; Gokhberg, Kirill; Knie, André

2018-01-01

We directly observe radiative charge transfer (RCT) in Ne clusters by dispersed vacuum-ultraviolet photon detection. The doubly ionized Ne2+-{{{N}}{{e}}}n-1 initial states of RCT are populated after resonant 1s-3p photoexcitation or 1s photoionization of Ne n clusters with < n> ≈ 2800. These states relax further producing Ne+-Ne+-{{{N}}{{e}}}n-2 final states, and the RCT photon is emitted. Ab initio calculations assign the observed RCT signal to the{}{{{N}}{{e}}}2+(2{{{p}}}-2{[}1{{D}}]){--}{{{N}}{{e}}}n-1 initial state, while transitions from other possible initial states are proposed to be quenched by competing relaxation processes. The present results are in agreement with the commonly discussed scenario, where the doubly ionized atom in a noble gas cluster forms a dimer which dissipates its vibrational energy on a picosecond timescale. Our study complements the picture of the RCT process in weakly bound clusters, providing information which is inaccessible by charged particle detection techniques.

TOPICAL REVIEW: O- bound small polarons in oxide materials

NASA Astrophysics Data System (ADS)

Schirmer, O. F.

2006-11-01

Holes bound to acceptor defects in oxide crystals are often localized by lattice distortion at just one of the equivalent oxygen ligands of the defect. Such holes thus form small polarons in symmetric clusters of a few oxygen ions. An overview on mainly the optical manifestations of those clusters is given. The article is essentially divided into two parts: the first one covers the basic features of the phenomena and their explanations, exemplified by several paradigmatic defects; in the second part numerous oxide materials are presented which exhibit bound small polaron optical properties. The first part starts with summaries on the production of bound hole polarons and the identification of their structure. It is demonstrated why they show strong, wide absorption bands, usually visible, based on polaron stabilization energies of typically 1 eV. The basic absorption process is detailed with a fictitious two-well system. Clusters with four, six and twelve equivalent ions are realized in various oxide compounds. In these cases several degenerate optically excited polaron states occur, leading to characteristic final state resonance splittings. The peak energies of the absorption bands as well as the sign of the transfer energy depend on the topology of the clusters. A special section is devoted to the distinction between interpolaron and intrapolaron optical transitions. The latter are usually comparatively weak. The oxide compounds exhibiting bound hole small polaron absorptions include the alkaline earth oxides (e.g. MgO), BeO and ZnO, the perovskites BaTiO3 and KTaO3, quartz, the sillenites (e.g. Bi12TiO20), Al2O3, LiNbO3, topaz and various other materials. There are indications that the magnetic crystals NiO, doped with Li, and LaMnO3, doped with Sr, also show optical features caused by bound hole polarons. Beyond being elementary paradigms for the properties of small polarons in general, the defect species treated can be used to explain radiation and light induced absorption especially in laser and non-linear oxide materials, the role of some defects in photorefractive compounds, the coloration of various gemstones, the structure of certain catalytic surface centres, etc. The relation to further phenomena is discussed: free small polarons, similar distorted centres in the sulfides and selenides, acceptor defects trapping two holes.

CLUMP-3D: Three-dimensional Shape and Structure of 20 CLASH Galaxy Clusters from Combined Weak and Strong Lensing

NASA Astrophysics Data System (ADS)

Chiu, I.-Non; Umetsu, Keiichi; Sereno, Mauro; Ettori, Stefano; Meneghetti, Massimo; Merten, Julian; Sayers, Jack; Zitrin, Adi

2018-06-01

We perform a three-dimensional triaxial analysis of 16 X-ray regular and 4 high-magnification galaxy clusters selected from the CLASH survey by combining two-dimensional weak-lensing and central strong-lensing constraints. In a Bayesian framework, we constrain the intrinsic structure and geometry of each individual cluster assuming a triaxial Navarro–Frenk–White halo with arbitrary orientations, characterized by the mass {M}200{{c}}, halo concentration {c}200{{c}}, and triaxial axis ratios ({q}{{a}}≤slant {q}{{b}}), and investigate scaling relations between these halo structural parameters. From triaxial modeling of the X-ray-selected subsample, we find that the halo concentration decreases with increasing cluster mass, with a mean concentration of {c}200{{c}}=4.82+/- 0.30 at the pivot mass {M}200{{c}}={10}15{M}ȯ {h}-1. This is consistent with the result from spherical modeling, {c}200{{c}}=4.51+/- 0.14. Independently of the priors, the minor-to-major axis ratio {q}{{a}} of our full sample exhibits a clear deviation from the spherical configuration ({q}{{a}}=0.52+/- 0.04 at {10}15{M}ȯ {h}-1 with uniform priors), with a weak dependence on the cluster mass. Combining all 20 clusters, we obtain a joint ensemble constraint on the minor-to-major axis ratio of {q}{{a}}={0.652}-0.078+0.162 and a lower bound on the intermediate-to-major axis ratio of {q}{{b}}> 0.63 at the 2σ level from an analysis with uniform priors. Assuming priors on the axis ratios derived from numerical simulations, we constrain the degree of triaxiality for the full sample to be { \\mathcal T }=0.79+/- 0.03 at {10}15{M}ȯ {h}-1, indicating a preference for a prolate geometry of cluster halos. We find no statistical evidence for an orientation bias ({f}geo}=0.93+/- 0.07), which is insensitive to the priors and in agreement with the theoretical expectation for the CLASH clusters.

Na(23)K(9)Tl(15.3): An Unusual Zintl Compound Containing Apparent Tl(5)(7)(-), Tl(4)(8)(-), Tl(3)(7)(-), and Tl(5)(-) Anions.

PubMed

Dong, Zhen-Chao; Corbett, John D.

1996-05-22

Reaction of the neat elements in tantalum containers at 400 degrees C and then 150 degrees C gives the pure title phase. X-ray crystallography shows that the hexagonal structure (P6(3)/mmc, Z = 2, a = 11.235(1) Å, b = 30.133(5) Å) contains relatively high symmetry clusters Tl(5)(7)(-) (D(3)(h)()), Tl(4)(8)(-) (C(3)(v)(), approximately T(d)), and the new Tl(3)(7)(-) (D(infinity)(h)()) plus Tl(5)(-), the last two disordered over the same elongated site in 1:2 proportions. Cation solvation of these anions is tight and specific, providing good Coulombic trapping of weakly bound electrons on the isolated cluster anions. The observed disorder makes the compound structurally a Zintl phase with a closed shell electron count. EHMO calculations on the novel Tl(3)(7)(-) reveal some bonding similarities with the isoelectronic CO(2), with two good sigma(s,p) bonding and two weakly bonding pi MO's. The Tl-Tl bond lengths therein (3.14 Å) are evidently consistent with multiple bonding. The weak temperature-independent paramagnetism and metallic conductivity (rho(293) approximately 90 &mgr;Omega.cm) of the phase are discussed.

Halocarbons as hydrogen bond acceptors: a spectroscopic study of haloethylbenzenes (PhCH2CH2X, X = F, Cl, Br) and their hydrate clusters.

PubMed

Robertson, Patrick A; Villani, Luigi; Dissanayake, Uresha L M; Duncan, Luke F; Abbott, Belinda M; Wilson, David J D; Robertson, Evan G

2018-03-28

The electronic spectra of 2-bromoethylbenzene and its chloro and fluoro analogues have been recorded by resonant two-photon ionisation (R2PI) spectroscopy. Anti and gauche conformers have been assigned by rotational band contour analysis and IR-UV ion depletion spectroscopy in the CH region. Hydrate clusters of the anti conformers have also been observed, allowing the role of halocarbons as hydrogen bond acceptors to be examined in this context. The donor OH stretch of water bound to chlorine is red-shifted by 36 cm -1 , or 39 cm -1 in the case of bromine. Although classed as weak H-bond acceptors, halocarbons are favourable acceptor sites compared to π systems. Fluorine stands out as the weakest H-bond acceptor amongst the halogens. Chlorine and bromine are also weak H-bond acceptors, but allow for more geometric lability, facilitating complimentary secondary interactions within the host molecule. Ab initio and DFT quantum chemical calculations, both harmonic and anharmonic, aid the structural assignments and analysis.

Nuclear structure studies with gamma-ray beams

DOE PAGES

Tonchev, Anton; Bhatia, Chitra; Kelley, John; ...

2015-05-28

In stable and weakly bound neutron-rich nuclei, a resonance-like concentration of dipole states has been observed for excitation energies below the neutron-separation energy. This clustering of strong dipole states has been named the Pygmy Dipole Resonance (PDR) in contrast to the Giant Dipole Resonance (GDR) that dominates the E1 response. Understanding the PDR is presently of great interest in nuclear structure and nuclear astrophysics. High-sensitivity studies of E1 and M1 transitions in closed-shell nuclei using monoenergetic and 100% linearly-polarized photon beams are presented.

Nuclear Structure Studies with Gamma-Ray Beams

NASA Astrophysics Data System (ADS)

Tonchev, Anton; Bhatia, Chitra; Kelley, John; Raut, Rajarshi; Rusev, Gencho; Tornow, Werner; Tsoneva, Nadia

2015-05-01

In stable and weakly bound neutron-rich nuclei, a resonance-like concentration of dipole states has been observed for excitation energies below the neutron-separation energy. This clustering of strong dipole states has been named the Pygmy Dipole Resonance (PDR) in contrast to the Giant Dipole Resonance (GDR) that dominates the E1 response. Understanding the PDR is presently of great interest in nuclear structure and nuclear astrophysics. High-sensitivity studies of E1 and M1 transitions in closed-shell nuclei using monoenergetic and 100% linearly-polarized photon beams are presented.

7Li-induced reaction on natMo: A study of complete versus incomplete fusion

NASA Astrophysics Data System (ADS)

Kumar, Deepak; Maiti, Moumita; Lahiri, Susanta

2017-07-01

Background: Several investigations on the complete-incomplete fusion (CF-ICF) dynamics of α -cluster well-bound nuclei have been contemplated above the Coulomb barrier (˜4 -7 MeV/nucleon) in recent years. It is therefore expected to observe significant ICF over CF in the reactions induced by a weakly bound α -cluster nucleus at slightly above the barrier. Purpose: Study of the CF-ICF dynamics by measuring the populated residues in the weakly bound 7Li+natMo system at energies slightly above the Coulomb barrier to well above it. Method: In order to investigate CF-ICF in the loosely bound system, 7Li beam was bombarded on the natMo foils, separated by the aluminium (Al) catcher foils alternatively, within ˜3 -6.5 MeV/nucleon. Evaporation residues produced in each foil were identified by the off-line γ -ray spectrometry. Measured cross section data of the residues were compared with the theoretical model calculations based on the equilibrium (EQ) and pre-equilibrium (PEQ) reaction mechanisms. Results: The experimental cross section of Rh 101 m,100 ,99 m,97 ,Ru,9597,Tc 99 m,96 ,95 ,94 ,93 m+g , and 93mMo residues measured at various projectile energies were satisfactorily reproduced by the simplified coupled channel approach in comparison to single barrier penetration model calculation. Significant cross section enhancement in the α -emitting channels was observed compared to EQ and PEQ model calculations throughout observed energy region. The ICF process over CF was analyzed by comparing with EMPIRE. The increment of the incomplete fusion fraction was observed with increasing projectile energies. Conclusions: Theoretical model calculations reveal that the compound reaction mechanism is the major contributor to the production of residues in 7Li+natMo reaction. Theoretical evaluations substantiate the contribution of ICF over the CF in α -emitting channels. EMPIRE estimations shed light on its predictive capability of cross sections of the residues from the heavy-ion induced reactions.

Localization and orientation of heavy-atom cluster compounds in protein crystals using molecular replacement

PubMed Central

Dahms, Sven O.; Kuester, Miriam; Streb, Carsten; Roth, Christian; Sträter, Norbert; Than, Manuel E.

2013-01-01

Heavy-atom clusters (HA clusters) containing a large number of specifically arranged electron-dense scatterers are especially useful for experimental phase determination of large complex structures, weakly diffracting crystals or structures with large unit cells. Often, the determination of the exact orientation of the HA cluster and hence of the individual heavy-atom positions proves to be the critical step in successful phasing and subsequent structure solution. Here, it is demonstrated that molecular replacement (MR) with either anomalous or isomorphous differences is a useful strategy for the correct placement of HA cluster compounds. The polyoxometallate cluster hexasodium α-metatungstate (HMT) was applied in phasing the structure of death receptor 6. Even though the HA cluster is bound in alternate partially occupied orientations and is located at a special position, its correct localization and orientation could be determined at resolutions as low as 4.9 Å. The broad applicability of this approach was demonstrated for five different derivative crystals that included the compounds tantalum tetradeca­bromide and trisodium phosphotungstate in addition to HMT. The correct placement of the HA cluster depends on the length of the intramolecular vectors chosen for MR, such that both a larger cluster size and the optimal choice of the wavelength used for anomalous data collection strongly affect the outcome. PMID:23385464

Stability of proton-bound clusters of alkyl alcohols, aldehydes and ketones in Ion Mobility Spectrometry.

PubMed

Jurado-Campos, Natividad; Garrido-Delgado, Rocío; Martínez-Haya, Bruno; Eiceman, Gary A; Arce, Lourdes

2018-08-01

Significant substances in emerging applications of ion mobility spectrometry such as breath analysis for clinical diagnostics and headspace analysis for food purity include low molar mass alcohols, ketones, aldehydes and esters which produce mobility spectra containing protonated monomers and proton-bound dimers. Spectra for all n- alcohols, aldehydes and ketones from carbon number three to eight exhibited protonated monomers and proton-bound dimers with ion drift times of 6.5-13.3 ms at ambient pressure and from 35° to 80 °C in nitrogen. Only n-alcohols from 1-pentanol to 1-octanol produced proton-bound trimers which were sufficiently stable to be observed at these temperatures and drift times of 12.8-16.3 ms. Polar functional groups were protected in compact structures in ab initio models for proton-bound dimers of alcohols, ketones and aldehydes. Only alcohols formed a V-shaped arrangement for proton-bound trimers strengthening ion stability and lifetime. In contrast, models for proton-bound trimers of aldehydes and ketones showed association of the third neutral through weak, non-specific, long-range interactions consistent with ion dissociation in the ion mobility drift tube before arriving at the detector. Collision cross sections derived from reduced mobility coefficients in nitrogen gas atmosphere support the predicted ion structures and approximate degrees of hydration. Copyright © 2018 Elsevier B.V. All rights reserved.

Validating Clusters with the Lower Bound for Sum-of-Squares Error

ERIC Educational Resources Information Center

Steinley, Douglas

2007-01-01

Given that a minor condition holds (e.g., the number of variables is greater than the number of clusters), a nontrivial lower bound for the sum-of-squares error criterion in K-means clustering is derived. By calculating the lower bound for several different situations, a method is developed to determine the adequacy of cluster solution based on…

Co-potentiation of antigen recognition: A mechanism to boost weak T cell responses and provide immunotherapy in vivo

PubMed Central

Hoffmann, Michele M.; Molina-Mendiola, Carlos; Nelson, Alfreda D.; Parks, Christopher A.; Reyes, Edwin E.; Hansen, Michael J.; Rajagopalan, Govindarajan; Pease, Larry R.; Schrum, Adam G.; Gil, Diana

2015-01-01

Adaptive immunity is mediated by antigen receptors that can induce weak or strong immune responses depending on the nature of the antigen that is bound. In T lymphocytes, antigen recognition triggers signal transduction by clustering T cell receptor (TCR)/CD3 multiprotein complexes. In addition, it hypothesized that biophysical changes induced in TCR/CD3 that accompany receptor engagement may contribute to signal intensity. Nonclustering monovalent TCR/CD3 engagement is functionally inert despite the fact that it may induce changes in conformational arrangement or in the flexibility of receptor subunits. We report that the intrinsically inert monovalent engagement of TCR/CD3 can specifically enhance physiologic T cell responses to weak antigens in vitro and in vivo without stimulating antigen-unengaged T cells and without interrupting T cell responses to strong antigens, an effect that we term as “co-potentiation.” We identified Mono-7D6-Fab, which biophysically altered TCR/CD3 when bound and functionally enhanced immune reactivity to several weak antigens in vitro, including a gp100-derived peptide associated with melanoma. In vivo, Mono-7D6-Fab induced T cell antigen–dependent therapeutic responses against melanoma lung metastases, an effect that synergized with other anti-melanoma immunotherapies to significantly improve outcome and survival. We conclude that Mono-7D6-Fab directly co-potentiated TCR/CD3 engagement by weak antigens and that such concept can be translated into an immunotherapeutic design. The co-potentiation principle may be applicable to other receptors that could be regulated by otherwise inert compounds whose latent potency is only invoked in concert with specific physiologic ligands. PMID:26601285

Butyrophenone on O-TiO2(110): one-dimensional motion in a weakly confined potential well.

PubMed

Jensen, Stephen C; Shank, Alex; Madix, Robert J; Friend, Cynthia M

2012-04-24

We demonstrate the one-dimensional confinement of weakly bound butyrophenone molecules between strongly bound complexes formed via reaction with oxygen on TiO(2)(110). Butyrophenone weakly bound to Ti rows through the carbonyl oxygen diffuses freely in one dimension along the rows even at 55 K, persisting for many minutes before hopping out of the 1-D well. Quantitative analysis yields an estimate of the migration barrier of 0.11 eV and a frequency factor of 6.5 × 10(9) Hz. These studies demonstrate that weakly bound organic molecules can be confined on a surface by creating molecular barriers, potentially altering their assembly.

Iron-sulfur Proteins Are the Major Source of Protein-bound Dinitrosyl Iron Complexes Formed in Escherichia coli Cells under Nitric Oxide Stress

PubMed Central

Landry, Aaron P.; Duan, Xuewu; Huang, Hao; Ding, Huangen

2011-01-01

Protein-bound dinitrosyl iron complexes (DNICs) have been observed in prokaryotic and eukaryotic cells under nitric oxide (NO) stress. The identity of proteins that bind DNICs, however, still remains elusive. Here we demonstrate that iron-sulfur proteins are the major source of protein-bound DNICs formed in Escherichia coli cells under NO stress. Expression of recombinant iron-sulfur proteins, but not the proteins without iron-sulfur clusters, almost doubles the amount of protein-bound DNICs formed in E. coli cells after NO exposure. Purification of recombinant proteins from the NO-exposed E. coli cells further confirms that iron-sulfur proteins, but not the proteins without iron-sulfur clusters, are modified forming protein-bound DINCs. Deletion of the iron-sulfur cluster assembly proteins IscA and SufA to block the [4Fe-4S] cluster biogenesis in E. coli cells largely eliminates the NO-mediated formation of protein-bound DNICs, suggesting that iron-sulfur clusters are mainly responsible for the NO-mediated formation of protein-bound DNICs in cells. Furthermore, depletion of “chelatable iron pool” in the wild-type E. coli cells effectively removes iron-sulfur clusters from proteins and concomitantly diminishes the NO-mediated formation of protein-bound DNICs, indicating that iron-sulfur clusters in proteins constitute at least part of “chelatable iron pool” in cells. PMID:21420489

Time-resolved photoelectron imaging of iodide-nitromethane (I-·CH3NO2) photodissociation dynamics.

PubMed

Kunin, Alice; Li, Wei-Li; Neumark, Daniel M

2016-12-07

Femtosecond time-resolved photoelectron spectroscopy is used to probe the decay channels of iodide-nitromethane (I - ·CH 3 NO 2 ) binary clusters photoexcited at 3.56 eV, near the vertical detachment energy (VDE) of the cluster. The production of I - is observed, and its photoelectron signal exhibits a mono-exponential rise time of 21 ± 1 ps. Previous work has shown that excitation near the VDE of the I - ·CH 3 NO 2 complex transfers an electron from iodide to form a dipole-bound state of CH 3 NO 2 - that rapidly converts to a valence bound (VB) anion. The long appearance time for the I - fragment suggests that the VB anion decays by back transfer of the excess electron to iodide, reforming the I - ·CH 3 NO 2 anion and resulting in evaporation of iodide. Comparison of the measured lifetime to that predicted by RRKM theory suggests that the dissociation rate is limited by intramolecular vibrational energy redistribution in the re-formed anion between the high frequency CH 3 NO 2 vibrational modes and the much lower frequency intermolecular I - ·CH 3 NO 2 stretch and bends, the predominant modes involved in cluster dissociation to form I - . Evidence for a weak channel identified as HI + CH 2 NO 2 - is also observed.

The NMR contribution to protein-protein networking in Fe-S protein maturation.

PubMed

Banci, Lucia; Camponeschi, Francesca; Ciofi-Baffoni, Simone; Piccioli, Mario

2018-03-22

Iron-sulfur proteins were among the first class of metalloproteins that were actively studied using NMR spectroscopy tailored to paramagnetic systems. The hyperfine shifts, their temperature dependencies and the relaxation rates of nuclei of cluster-bound residues are an efficient fingerprint of the nature and the oxidation state of the Fe-S cluster. NMR significantly contributed to the analysis of the magnetic coupling patterns and to the understanding of the electronic structure occurring in [2Fe-2S], [3Fe-4S] and [4Fe-4S] clusters bound to proteins. After the first NMR structure of a paramagnetic protein was obtained for the reduced E. halophila HiPIP I, many NMR structures were determined for several Fe-S proteins in different oxidation states. It was found that differences in chemical shifts, in patterns of unobserved residues, in internal mobility and in thermodynamic stability are suitable data to map subtle changes between the two different oxidation states of the protein. Recently, the interaction networks responsible for maturing human mitochondrial and cytosolic Fe-S proteins have been largely characterized by combining solution NMR standard experiments with those tailored to paramagnetic systems. We show here the contribution of solution NMR in providing a detailed molecular view of "Fe-S interactomics". This contribution was particularly effective when protein-protein interactions are weak and transient, and thus difficult to be characterized at high resolution with other methodologies.

Weak Gravitational Lensing by the Nearby Cluster Abell 3667.

PubMed

Joffre; Fischer; Frieman; McKay; Mohr; Nichol; Johnston; Sheldon; Bernstein

2000-05-10

We present two weak lensing reconstructions of the nearby (zcl=0.055) merging cluster Abell 3667, based on observations taken approximately 1 yr apart under different seeing conditions. This is the lowest redshift cluster with a weak lensing mass reconstruction to date. The reproducibility of features in the two mass maps demonstrates that weak lensing studies of low-redshift clusters are feasible. These data constitute the first results from an X-ray luminosity-selected weak lensing survey of 19 low-redshift (z<0.1) southern clusters.

Ion-Stockmayer clusters: Minima, classical thermodynamics, and variational ground state estimates of Li+(CH3NO2)n (n = 1-20)

NASA Astrophysics Data System (ADS)

Curotto, E.

2015-12-01

Structural optimizations, classical NVT ensemble, and variational Monte Carlo simulations of ion Stockmayer clusters parameterized to approximate the Li+(CH3NO2)n (n = 1-20) systems are performed. The Metropolis algorithm enhanced by the parallel tempering strategy is used to measure internal energies and heat capacities, and a parallel version of the genetic algorithm is employed to obtain the most important minima. The first solvation sheath is octahedral and this feature remains the dominant theme in the structure of clusters with n ≥ 6. The first "magic number" is identified using the adiabatic solvent dissociation energy, and it marks the completion of the second solvation layer for the lithium ion-nitromethane clusters. It corresponds to the n = 18 system, a solvated ion with the first sheath having octahedral symmetry, weakly bound to an eight-membered and a four-membered ring crowning a vertex of the octahedron. Variational Monte Carlo estimates of the adiabatic solvent dissociation energy reveal that quantum effects further enhance the stability of the n = 18 system relative to its neighbors.

Crystal structure of an Fe-S cluster-containing fumarate hydratase enzyme from Leishmania major reveals a unique protein fold.

PubMed

Feliciano, Patricia R; Drennan, Catherine L; Nonato, M Cristina

2016-08-30

Fumarate hydratases (FHs) are essential metabolic enzymes grouped into two classes. Here, we present the crystal structure of a class I FH, the cytosolic FH from Leishmania major, which reveals a previously undiscovered protein fold that coordinates a catalytically essential [4Fe-4S] cluster. Our 2.05 Å resolution data further reveal a dimeric architecture for this FH that resembles a heart, with each lobe comprised of two domains that are arranged around the active site. Besides the active site, where the substrate S-malate is bound bidentate to the unique iron of the [4Fe-4S] cluster, other binding pockets are found near the dimeric enzyme interface, some of which are occupied by malonate, shown here to be a weak inhibitor of this enzyme. Taken together, these data provide a framework both for investigations of the class I FH catalytic mechanism and for drug design aimed at fighting neglected tropical diseases.

Choosing the Number of Clusters in K-Means Clustering

ERIC Educational Resources Information Center

Steinley, Douglas; Brusco, Michael J.

2011-01-01

Steinley (2007) provided a lower bound for the sum-of-squares error criterion function used in K-means clustering. In this article, on the basis of the lower bound, the authors propose a method to distinguish between 1 cluster (i.e., a single distribution) versus more than 1 cluster. Additionally, conditional on indicating there are multiple…

Nilsson diagrams for light neutron-rich nuclei with weakly-bound neutrons

NASA Astrophysics Data System (ADS)

Hamamoto, Ikuko

2007-11-01

Using Woods-Saxon potentials and the eigenphase formalism for one-particle resonances, one-particle bound and resonant levels for neutrons as a function of quadrupole deformation are presented, which are supposed to be useful for the interpretation of spectroscopic properties of some light neutron-rich nuclei with weakly bound neutrons. Compared with Nilsson diagrams in textbooks that are constructed using modified oscillator potentials, we point out a systematic change of the shell structure in connection with both weakly bound and resonant one-particle levels related to small orbital angular momenta ℓ. Then, it is seen that weakly bound neutrons in nuclei such as C15-19 and Mg33-37 may prefer being deformed as a result of the Jahn-Teller effect, due to the near degeneracy of the 1d5/2-2s1/2 levels and the 1f7/2-2p3/2 levels in the spherical potential, respectively. Furthermore, the absence of some one-particle resonant levels compared with the Nilsson diagrams in textbooks is illustrated.

Vibration-rotation-tunneling spectroscopy of the van der Waals Bond: A new look at intermolecular forces

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

Cohen, R.C.; Saykally, R.J.

Measurements of the low-frequency van der Waals vibrations in weakly bound complexes by high-resolution laser spectroscopy provide a means to probe intermolecular forces at unprecedented levels of detail and precision. Several new methods are presently being used to record vibration/rotation-tunneling (VRT) transitions associated with the motions of the weak bonds in van der Waals clusters. The most direct measurements are those probing only the van der Waals modes themselves, which occur at far-infrared wavelengths. This article presents a review of the information on both intramolecular forces and intramolecular dynamics that has been obtained from far-infrared VRT spectra of 18 complexesmore » during the past several years. Some rotationally resolved measurements of van der Waals modes observed in combination with electronic or vibrational excitation are also discussed. 185 refs., 15 figs., 1 tab.« less

Dispersion interactions in Density Functional Theory

NASA Astrophysics Data System (ADS)

Andrinopoulos, Lampros; Hine, Nicholas; Mostofi, Arash

2012-02-01

Semilocal functionals in Density Functional Theory (DFT) achieve high accuracy simulating a wide range of systems, but miss the effect of dispersion (vdW) interactions, important in weakly bound systems. We study two different methods to include vdW in DFT: First, we investigate a recent approach [1] to evaluate the vdW contribution to the total energy using maximally-localized Wannier functions. Using a set of simple dimers, we show that it has a number of shortcomings that hamper its predictive power; we then develop and implement a series of improvements [2] and obtain binding energies and equilibrium geometries in closer agreement to quantum-chemical coupled-cluster calculations. Second, we implement the vdW-DF functional [3], using Soler's method [4], within ONETEP [5], a linear-scaling DFT code, and apply it to a range of systems. This method within a linear-scaling DFT code allows the simulation of weakly bound systems of larger scale, such as organic/inorganic interfaces, biological systems and implicit solvation models. [1] P. Silvestrelli, JPC A 113, 5224 (2009). [2] L. Andrinopoulos et al, JCP 135, 154105 (2011). [3] M. Dion et al, PRL 92, 246401 (2004). [4] G. Rom'an-P'erez, J.M. Soler, PRL 103, 096102 (2009). [5] C. Skylaris et al, JCP 122, 084119 (2005).

On Defect Cluster Aggregation and Non-Reducibilty in Tin-Doped Indium Oxide

NASA Astrophysics Data System (ADS)

Warschkow, Oliver; Ellis, Donald E.; Gonzalez, Gabriela; Mason, Thomas O.

2003-03-01

The conductivity of tin-doped indium oxide (ITO), a transparent conductor, is critically dependent on the amount of tin-doping and oxygen partial pressure during preparation and annealing. Frank and Kostlin (Appl. Phys. A 27 (1982) 197-206) rationalized the carrier concentration dependence by postulating the formation of two types of neutral defect clusters at medium tin-doping levels: "Reducible" and "non-reducible" defect clusters; so named to indicate their ability to create carriers under reduction. According to Frank and Kostlin, both are composed of a single oxygen interstitial and two tin atoms substituting for indium, positioned in non-nearest and nearest coordination, respectively. This present work, seeking to distinguish reducible and non-reducible clusters by use of an atomistic model, finds only a weak correlation of oxygen interstitial binding energies with the relative positioning of dopants. Instead, the number of tin-dopants in the vicinity of the interstitial has a much larger effect on how strongly it is bound, a simple consequence of Coulomb interactions. We postulate that oxygen interstitials become non-reducible when clustered with three or more Sn_In. This occurs at higher doping levels as reducible clusters aggregate and share tin atoms. A simple probabilistic model, estimating the average number of clusters so aggregated, provides a qualitatively correct description of the carrier density in reduced ITO as a function of Sn doping level.

Coalescence of silver clusters by immersion in diluted HF solution

NASA Astrophysics Data System (ADS)

Milazzo, R. G.; Mio, A. M.; D'Arrigo, G.; Grimaldi, M. G.; Spinella, C.; Rimini, E.

2015-07-01

The galvanic displacement deposition of silver on H-terminated Si (100) in the time scale of seconds is instantaneous and characterized by a cluster density of 1011-1012 cm-2. The amount of deposited Ag follows a t1/2 dependence in agreement with a Cottrell diffusion limited mechanism. At the same time, during the deposition, the cluster density reduces by a factor 5. This behavior is in contrast with the assumption of immobile clusters. We show in the present work that coalescence and aggregation occur also in the samples immersed in the diluted hydrofluoric acid (HF) solution without the presence of Ag+. Clusters agglomerate according to a process of dynamic coalescence, typical of colloids, followed by atomic redistribution at the contact regions with the generation of multiple internal twins and stacking-faults. The normalized size distributions in terms of r/rmean follow also the prediction of the Smoluchowski ripening mechanism. No variation of the cluster density occurs for samples immersed in pure H2O solution. The different behavior might be associated to the strong attraction of clusters to oxide-terminated Si surface in presence of water. The silver clusters are instead weakly bound to hydrophobic H-terminated Si in presence of HF. HF causes then the detachment of clusters and a random movement on the silicon surface with mobility of about 10-13 cm2/s. Attractive interaction (probably van der Waals) among particles promotes coarsening.

The weak lensing analysis of the CFHTLS and NGVS RedGOLD galaxy clusters

NASA Astrophysics Data System (ADS)

Parroni, C.; Mei, S.; Erben, T.; Van Waerbeke, L.; Raichoor, A.; Ford, J.; Licitra, R.; Meneghetti, M.; Hildebrandt, H.; Miller, L.; Côté, P.; Covone, G.; Cuillandre, J.-C.; Duc, P.-A.; Ferrarese, L.; Gwyn, S. D. J.; Puzia, T. H.

2017-12-01

An accurate estimation of galaxy cluster masses is essential for their use in cosmological and astrophysical studies. We studied the accuracy of the optical richness obtained by our RedGOLD cluster detection algorithm tep{licitra2016a, licitra2016b} as a mass proxy, using weak lensing and X-ray mass measurements. We measured stacked weak lensing cluster masses for a sample of 1323 galaxy clusters in the Canada-France-Hawaii Telescope Legacy Survey W1 and the Next Generation Virgo Cluster Survey at 0.2

Ion-Stockmayer clusters: Minima, classical thermodynamics, and variational ground state estimates of Li{sup +}(CH{sub 3}NO{sub 2}){sub n} (n = 1–20)

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

Curotto, E., E-mail: curotto@arcadia.edu

2015-12-07

Structural optimizations, classical NVT ensemble, and variational Monte Carlo simulations of ion Stockmayer clusters parameterized to approximate the Li{sup +}(CH{sub 3}NO{sub 2}){sub n} (n = 1–20) systems are performed. The Metropolis algorithm enhanced by the parallel tempering strategy is used to measure internal energies and heat capacities, and a parallel version of the genetic algorithm is employed to obtain the most important minima. The first solvation sheath is octahedral and this feature remains the dominant theme in the structure of clusters with n ≥ 6. The first “magic number” is identified using the adiabatic solvent dissociation energy, and it marksmore » the completion of the second solvation layer for the lithium ion-nitromethane clusters. It corresponds to the n = 18 system, a solvated ion with the first sheath having octahedral symmetry, weakly bound to an eight-membered and a four-membered ring crowning a vertex of the octahedron. Variational Monte Carlo estimates of the adiabatic solvent dissociation energy reveal that quantum effects further enhance the stability of the n = 18 system relative to its neighbors.« less

Weak Lensing Results of the Merging Cluster A1758

NASA Technical Reports Server (NTRS)

Markevitch, M.; Gonzalez, A. H.; Bradac, M.

2011-01-01

Here we present the weak lensing results of A1758, which is known to have four cluster members undergoing two separate mergers, A1758N and A1758S. Weak lensing results of A1758N agree with previous weak lensing results of clusters lE0657-558 (Bullet cluster) and MACS J0025.4-1222, whose X-ray gas components were found to be largely separated from their clusters' gravitational potentials. A1758N has a geometry that is different from previously published mergers in that one of its X-ray peaks overlays the corresponding gravitational potential and the other X-ray peak is well separated from its cluster's gravitational potential.

Structure effects on reaction mechanisms in collisions induced by radioactive ion beams

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

Pietro, A. Di, E-mail: dipietro@lns.infn.it; Figuera, P.; Scuderi, V.

2006-08-15

The present paper concerns the study of reactions induced by radioactive beams of halo and weakly bound nuclei at energies around and above the Coulomb barrier. The results obtained for the reaction induced by the halo nucleus {sup 6}He on {sup 64}Zn have been compared with the results for the reaction induced by {sup 4}He on the same target. The results of the reaction induced by the weakly bound unstable {sup 13}N on the weakly bound {sup 9}Be have been compared with those for the reaction {sup 10}B + {sup 12}C.

Spectroscopic and computational studies of ionic clusters as models of solvation and atmospheric reactions

NASA Astrophysics Data System (ADS)

Kuwata, Keith T.

Ionic clusters are useful as model systems for the study of fundamental processes in solution and in the atmosphere. Their structure and reactivity can be studied in detail using vibrational predissociation spectroscopy, in conjunction with high level ab initio calculations. This thesis presents the applications of infrared spectroscopy and computation to a variety of gas-phase cluster systems. A crucial component of the process of stratospheric ozone depletion is the action of polar stratospheric clouds (PSCs) to convert the reservoir species HCl and chlorine nitrate (ClONO2) to photochemically labile compounds. Quantum chemistry was used to explore one possible mechanism by which this activation is effected: Cl- + ClONO2 /to Cl2 + NO3- eqno(1)Correlated ab initio calculations predicted that the direct reaction of chloride ion with ClONO2 is facile, which was confirmed in an experimental kinetics study. In the reaction a weakly bound intermediate Cl2-NO3- is formed, with ~70% of the charge localized on the nitrate moiety. This enables the Cl2-NO3- cluster to be well solvated even in bulk solution, allowing (1) to be facile on PSCs. Quantum chemistry was also applied to the hydration of nitrosonium ion (NO+), an important process in the ionosphere. The calculations, in conjunction with an infrared spectroscopy experiment, revealed the structure of the gas-phase clusters NO+(H2O)n. The large degree of covalent interaction between NO+ and the lone pairs of the H2O ligands is contrasted with the weak electrostatic bonding between iodide ion and H2O. Finally, the competition between ion solvation and solvent self-association is explored for the gas-phase clusters Cl/-(H2O)n and Cl-(NH3)n. For the case of water, vibrational predissociation spectroscopy reveals less hydrogen bonding among H2O ligands than predicted by ab initio calculations. Nevertheless, for n /ge 5, cluster structure is dominated by water-water interactions, with Cl- only partially solvated by the water cluster. Preliminary infrared spectra and computations on Cl- (NH3)n indicate that NH3 preferentially binds to Cl- ion instead of forming inter-solvent networks.

Hydrogen-bonding interactions and protic equilibria in room-temperature ionic liquids containing crown ethers.

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

Marin, T.; Shkrob, I.; Dietz, M.

2011-04-14

Nuclear magnetic resonance (NMR) spectroscopy has been used to study hydrogen-bonding interactions between water, associated and dissociated acids (i.e., nitric and methanesulfonic acids), and the constituent ions of several water-immiscible room-temperature ionic liquids (ILs). In chloroform solutions also containing a crown ether (CE), water molecules strongly associate with the IL ions, and there is rapid proton exchange between these bound water molecules and hydronium associated with the CE. In neat ILs, the acids form clusters differing in their degree of association and ionization, and their interactions with the CEs are weak. The CE can either promote proton exchange between differentmore » clusters in IL solution when their association is weak or inhibit such exchange when the association is strong. Even strongly hydrophobic ILs are shown to readily extract nitric acid from aqueous solution, typically via the formation of a 1:1:1 {l_brace}H{sub 3}O{sup +} {center_dot} CE{r_brace}NO{sub 3}{sup -} complex. In contrast, the extraction of methanesulfonic acid is less extensive and proceeds mainly by IL cation-hydronium ion exchange. The relationship of these protic equilibria to the practical application of hydrophobic ILs (e.g., in spent nuclear fuel reprocessing) is discussed.« less

Anomalous Galactic Dynamics by Collusion of Rindler and Cosmological Horizons

NASA Astrophysics Data System (ADS)

van Putten, Maurice H. P. M.

2017-03-01

In holography, the dimensional reduction of phase space to two dimensions defines a dynamical dark energy of {{Λ }}=(1-q){H}2, associated with the cosmological horizon at a Hubble radius of {R}H=c/H, and inertia m of baryonic matter at acceleration α in terms of a thermodynamic potential U={{mc}}2 of Rindler horizons at ξ ={c}2/α . Here, H is the Hubble parameter with deceleration q and c is the velocity of light. In weak gravity, m drops below Newton’s value m 0 as α < {a}H, when Rindler horizons fall beyond the cosmological horizon. The onset to weak gravity across α ={a}H is sharp by causality. Striking evidence is found in galaxy rotation curves, whose asymptotic dynamics is parameterized by Milgrom’s scale of acceleration {a}0=({cH}/2π )\\sqrt{1-q}. This onset presents a new challenge for canonical dark matter distributions on galactic scales in ΛCDM. Instead, future galaxy surveys may determine {Q}0={{dq}(z)/{dz}| }z=0, to provide a direct test of dynamical dark energy ({Q}0> 2.5) versus ΛCDM ({Q}0< 1) and establish a bound of {10}-30 {{eV}} on the mass of the putative dark matter particle with clustering limited to galaxy clusters.

Effect of temperature on residual force enhancement in single skeletal muscle fibers.

PubMed

Lee, Eun-Jeong; Herzog, Walter

2008-08-28

It is well accepted that the steady-state isometric force following active stretching of a muscle is greater than the steady-state isometric force obtained in a purely isometric contraction at the same length. This property of skeletal muscle has been called residual force enhancement (FE). Despite decades of research the mechanisms responsible for FE have remained largely unknown. Based on previous studies showing increases in FE in fibers in which cross-bridges were biased towards weakly bound states, we hypothesized that FE might be associated with a stretch-induced facilitation of transitioning from weakly to strongly bound cross-bridges. In order to test this hypothesis, single fibers (n=11) from the lumbrical muscles of frog (Rana pipiens) were used to determine FE at temperatures of 7 and 20 degrees C. At the cold temperature, cross-bridges are biased towards weakly bound states, therefore we expected FE to be greater at 7 degrees C compared to 20 degrees C. The average FE was significantly greater at 7 degrees C (11.5+/-1.1%) than at 20 degrees C (7.8+/-1.0%), as expected. The enhancement of force/stiffness was also significantly greater at the low (13.3+/-1.4%) compared to the high temperature (5.6+/-1.7%), indicating an increased conversion from weakly to strongly bound cross-bridges at the low temperature. We conclude from the results of this study that muscle preparations that are biased towards weakly bound cross-bridge states show increased FE for given stretch conditions, thereby supporting the idea that FE might be caused, in part, by a stretch-induced facilitation of the conversion of weakly to strongly bound cross-bridges.

Probing Gαi1 Protein Activation at Single Amino Acid Resolution

PubMed Central

Sun, Dawei; Maeda, Shoji; Matkovic, Milos; Mendieta, Sandro; Mayer, Daniel; Dawson, Roger; Schertler, Gebhard F.X.; Madan Babu, M.; Veprintsev, Dmitry B.

2016-01-01

We present comprehensive single amino acid resolution maps of the residues stabilising the human Gαi1 subunit in nucleotide- and receptor-bound states. We generated these maps by measuring the effects of alanine mutations on the stability of Gαi1 and of the rhodopsin-Gαi1 complex. We identified stabilization clusters in the GTPase and helical domains responsible for structural integrity and the conformational changes associated with activation. In activation cluster I, helices α1 and α5 pack against strands β1-3 to stabilize the nucleotide-bound states. In the receptor-bound state, these interactions are replaced by interactions between α5 and strands β4-6. Key residues in this cluster are Y320, crucial for the stabilization of the receptor-bound state, and F336, which stabilizes nucleotide-bound states. Destabilization of helix α1, caused by rearrangement of this activation cluster, leads to the weakening of the inter-domain interface and release of GDP. PMID:26258638

Remarks on High Reynolds Numbers Hydrodynamics and the Inviscid Limit

NASA Astrophysics Data System (ADS)

Constantin, Peter; Vicol, Vlad

2018-04-01

We prove that any weak space-time L^2 vanishing viscosity limit of a sequence of strong solutions of Navier-Stokes equations in a bounded domain of R^2 satisfies the Euler equation if the solutions' local enstrophies are uniformly bounded. We also prove that t-a.e. weak L^2 inviscid limits of solutions of 3D Navier-Stokes equations in bounded domains are weak solutions of the Euler equation if they locally satisfy a scaling property of their second-order structure function. The conditions imposed are far away from boundaries, and wild solutions of Euler equations are not a priori excluded in the limit.

Weighing the Giants - I. Weak-lensing masses for 51 massive galaxy clusters: project overview, data analysis methods and cluster images

NASA Astrophysics Data System (ADS)

von der Linden, Anja; Allen, Mark T.; Applegate, Douglas E.; Kelly, Patrick L.; Allen, Steven W.; Ebeling, Harald; Burchat, Patricia R.; Burke, David L.; Donovan, David; Morris, R. Glenn; Blandford, Roger; Erben, Thomas; Mantz, Adam

2014-03-01

This is the first in a series of papers in which we measure accurate weak-lensing masses for 51 of the most X-ray luminous galaxy clusters known at redshifts 0.15 ≲ zCl ≲ 0.7, in order to calibrate X-ray and other mass proxies for cosmological cluster experiments. The primary aim is to improve the absolute mass calibration of cluster observables, currently the dominant systematic uncertainty for cluster count experiments. Key elements of this work are the rigorous quantification of systematic uncertainties, high-quality data reduction and photometric calibration, and the `blind' nature of the analysis to avoid confirmation bias. Our target clusters are drawn from X-ray catalogues based on the ROSAT All-Sky Survey, and provide a versatile calibration sample for many aspects of cluster cosmology. We have acquired wide-field, high-quality imaging using the Subaru Telescope and Canada-France-Hawaii Telescope for all 51 clusters, in at least three bands per cluster. For a subset of 27 clusters, we have data in at least five bands, allowing accurate photometric redshift estimates of lensed galaxies. In this paper, we describe the cluster sample and observations, and detail the processing of the SuprimeCam data to yield high-quality images suitable for robust weak-lensing shape measurements and precision photometry. For each cluster, we present wide-field three-colour optical images and maps of the weak-lensing mass distribution, the optical light distribution and the X-ray emission. These provide insights into the large-scale structure in which the clusters are embedded. We measure the offsets between X-ray flux centroids and the brightest cluster galaxies in the clusters, finding these to be small in general, with a median of 20 kpc. For offsets ≲100 kpc, weak-lensing mass measurements centred on the brightest cluster galaxies agree well with values determined relative to the X-ray centroids; miscentring is therefore not a significant source of systematic uncertainty for our weak-lensing mass measurements. In accompanying papers, we discuss the key aspects of our photometric calibration and photometric redshift measurements (Kelly et al.), and measure cluster masses using two methods, including a novel Bayesian weak-lensing approach that makes full use of the photometric redshift probability distributions for individual background galaxies (Applegate et al.). In subsequent papers, we will incorporate these weak-lensing mass measurements into a self-consistent framework to simultaneously determine cluster scaling relations and cosmological parameters.

Virial Expansion Bounds

NASA Astrophysics Data System (ADS)

Tate, Stephen James

2013-10-01

In the 1960s, the technique of using cluster expansion bounds in order to achieve bounds on the virial expansion was developed by Lebowitz and Penrose (J. Math. Phys. 5:841, 1964) and Ruelle (Statistical Mechanics: Rigorous Results. Benjamin, Elmsford, 1969). This technique is generalised to more recent cluster expansion bounds by Poghosyan and Ueltschi (J. Math. Phys. 50:053509, 2009), which are related to the work of Procacci (J. Stat. Phys. 129:171, 2007) and the tree-graph identity, detailed by Brydges (Phénomènes Critiques, Systèmes Aléatoires, Théories de Jauge. Les Houches 1984, pp. 129-183, 1986). The bounds achieved by Lebowitz and Penrose can also be sharpened by doing the actual optimisation and achieving expressions in terms of the Lambert W-function. The different bound from the cluster expansion shows some improvements for bounds on the convergence of the virial expansion in the case of positive potentials, which are allowed to have a hard core.

The membrane-bound [NiFe]-hydrogenase (Ech) from Methanosarcina barkeri: unusual properties of the iron-sulphur clusters.

PubMed

Kurkin, Sergei; Meuer, Jörn; Koch, Jürgen; Hedderich, Reiner; Albracht, Simon P J

2002-12-01

The purified membrane-bound [NiFe]-hydrogenase from Methanosarcina barkeri was studied with electron paramagnetic resonance (EPR) focusing on the properties of the iron-sulphur clusters. The EPR spectra showed signals from three different [4Fe-4S] clusters. Two of the clusters could be reduced under 101 kPa of H2, whereas the third cluster was only partially reduced. Magnetic interaction of one of the clusters with an unpaired electron localized on the Ni-Fe site indicated that this was the proximal cluster as found in all [NiFe]-hydrogenases. Hence, this cluster was assigned to be located in the EchC subunit. The other two clusters could therefore be assigned to be bound to the EchF subunit, which has two conserved four-Cys motifs for the binding of a [4Fe-4S] cluster. Redox titrations at different pH values demonstrated that the proximal cluster and one of the clusters in the EchF subunit had a pH-dependent midpoint potential. The possible relevance of these properties for the function of this proton-pumping [NiFe]-hydrogenase is discussed.

Bounding the solutions of parametric weakly coupled second-order semilinear parabolic partial differential equations

DOE PAGES

Azunre, P.

2016-09-21

Here in this paper, two novel techniques for bounding the solutions of parametric weakly coupled second-order semilinear parabolic partial differential equations are developed. The first provides a theorem to construct interval bounds, while the second provides a theorem to construct lower bounds convex and upper bounds concave in the parameter. The convex/concave bounds can be significantly tighter than the interval bounds because of the wrapping effect suffered by interval analysis in dynamical systems. Both types of bounds are computationally cheap to construct, requiring solving auxiliary systems twice and four times larger than the original system, respectively. An illustrative numerical examplemore » of bound construction and use for deterministic global optimization within a simple serial branch-and-bound algorithm, implemented numerically using interval arithmetic and a generalization of McCormick's relaxation technique, is presented. Finally, problems within the important class of reaction-diffusion systems may be optimized with these tools.« less

Weak-lensing mass calibration of the Atacama Cosmology Telescope equatorial Sunyaev-Zeldovich cluster sample with the Canada-France-Hawaii telescope stripe 82 survey

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

Battaglia, N.; Miyatake, H.; Hasselfield, M.

Mass calibration uncertainty is the largest systematic effect for using clusters of galaxies to constrain cosmological parameters. We present weak lensing mass measurements from the Canada-France-Hawaii Telescope Stripe 82 Survey for galaxy clusters selected through their high signal-to-noise thermal Sunyaev-Zeldovich (tSZ) signal measured with the Atacama Cosmology Telescope (ACT). For a sample of 9 ACT clusters with a tSZ signal-to-noise greater than five the average weak lensing mass is (4.8±0.8) ×10{sup 14} M{sub ⊙}, consistent with the tSZ mass estimate of (4.70±1.0) ×10{sup 14} M{sub ⊙} which assumes a universal pressure profile for the cluster gas. Our results are consistentmore » with previous weak-lensing measurements of tSZ-detected clusters from the Planck satellite. When comparing our results, we estimate the Eddington bias correction for the sample intersection of Planck and weak-lensing clusters which was previously excluded.« less

Improved optical mass tracer for galaxy clusters calibrated using weak lensing measurements

NASA Astrophysics Data System (ADS)

Reyes, R.; Mandelbaum, R.; Hirata, C.; Bahcall, N.; Seljak, U.

2008-11-01

We develop an improved mass tracer for clusters of galaxies from optically observed parameters, and calibrate the mass relation using weak gravitational lensing measurements. We employ a sample of ~13000 optically selected clusters from the Sloan Digital Sky Survey (SDSS) maxBCG catalogue, with photometric redshifts in the range 0.1-0.3. The optical tracers we consider are cluster richness, cluster luminosity, luminosity of the brightest cluster galaxy (BCG) and combinations of these parameters. We measure the weak lensing signal around stacked clusters as a function of the various tracers, and use it to determine the tracer with the least amount of scatter. We further use the weak lensing data to calibrate the mass normalization. We find that the best mass estimator for massive clusters is a combination of cluster richness, N200, and the luminosity of the BCG, LBCG: , where is the observed mean BCG luminosity at a given richness. This improved mass tracer will enable the use of galaxy clusters as a more powerful tool for constraining cosmological parameters.

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

Azadi, Sam, E-mail: s.azadi@ucl.ac.uk; Cohen, R. E.

We report an accurate study of interactions between benzene molecules using variational quantum Monte Carlo (VMC) and diffusion quantum Monte Carlo (DMC) methods. We compare these results with density functional theory using different van der Waals functionals. In our quantum Monte Carlo (QMC) calculations, we use accurate correlated trial wave functions including three-body Jastrow factors and backflow transformations. We consider two benzene molecules in the parallel displaced geometry, and find that by highly optimizing the wave function and introducing more dynamical correlation into the wave function, we compute the weak chemical binding energy between aromatic rings accurately. We find optimalmore » VMC and DMC binding energies of −2.3(4) and −2.7(3) kcal/mol, respectively. The best estimate of the coupled-cluster theory through perturbative triplets/complete basis set limit is −2.65(2) kcal/mol [Miliordos et al., J. Phys. Chem. A 118, 7568 (2014)]. Our results indicate that QMC methods give chemical accuracy for weakly bound van der Waals molecular interactions, comparable to results from the best quantum chemistry methods.« less

A MAGNIFIED GLANCE INTO THE DARK SECTOR: PROBING COSMOLOGICAL MODELS WITH STRONG LENSING IN A1689

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

Magaña, Juan; Motta, V.; Cárdenas, Victor H.

2015-11-01

In this paper we constrain four alternative models to the late cosmic acceleration in the universe: Chevallier–Polarski–Linder (CPL), interacting dark energy (IDE), Ricci holographic dark energy (HDE), and modified polytropic Cardassian (MPC). Strong lensing (SL) images of background galaxies produced by the galaxy cluster Abell 1689 are used to test these models. To perform this analysis we modify the LENSTOOL lens modeling code. The value added by this probe is compared with other complementary probes: Type Ia supernovae (SN Ia), baryon acoustic oscillations (BAO), and cosmic microwave background (CMB). We found that the CPL constraints obtained for the SL datamore » are consistent with those estimated using the other probes. The IDE constraints are consistent with the complementary bounds only if large errors in the SL measurements are considered. The Ricci HDE and MPC constraints are weak, but they are similar to the BAO, SN Ia, and CMB estimations. We also compute the figure of merit as a tool to quantify the goodness of fit of the data. Our results suggest that the SL method provides statistically significant constraints on the CPL parameters but is weak for those of the other models. Finally, we show that the use of the SL measurements in galaxy clusters is a promising and powerful technique to constrain cosmological models. The advantage of this method is that cosmological parameters are estimated by modeling the SL features for each underlying cosmology. These estimations could be further improved by SL constraints coming from other galaxy clusters.« less

Weak lensing calibration of mass bias in the REFLEX+BCS X-ray galaxy cluster catalogue

NASA Astrophysics Data System (ADS)

Simet, Melanie; Battaglia, Nicholas; Mandelbaum, Rachel; Seljak, Uroš

2017-04-01

The use of large, X-ray-selected Galaxy cluster catalogues for cosmological analyses requires a thorough understanding of the X-ray mass estimates. Weak gravitational lensing is an ideal method to shed light on such issues, due to its insensitivity to the cluster dynamical state. We perform a weak lensing calibration of 166 galaxy clusters from the REFLEX and BCS cluster catalogue and compare our results to the X-ray masses based on scaled luminosities from that catalogue. To interpret the weak lensing signal in terms of cluster masses, we compare the lensing signal to simple theoretical Navarro-Frenk-White models and to simulated cluster lensing profiles, including complications such as cluster substructure, projected large-scale structure and Eddington bias. We find evidence of underestimation in the X-ray masses, as expected, with = 0.75 ± 0.07 stat. ±0.05 sys. for our best-fitting model. The biases in cosmological parameters in a typical cluster abundance measurement that ignores this mass bias will typically exceed the statistical errors.

An efficient 3D R-tree spatial index method for virtual geographic environments

NASA Astrophysics Data System (ADS)

Zhu, Qing; Gong, Jun; Zhang, Yeting

A three-dimensional (3D) spatial index is required for real time applications of integrated organization and management in virtual geographic environments of above ground, underground, indoor and outdoor objects. Being one of the most promising methods, the R-tree spatial index has been paid increasing attention in 3D geospatial database management. Since the existing R-tree methods are usually limited by their weakness of low efficiency, due to the critical overlap of sibling nodes and the uneven size of nodes, this paper introduces the k-means clustering method and employs the 3D overlap volume, 3D coverage volume and the minimum bounding box shape value of nodes as the integrative grouping criteria. A new spatial cluster grouping algorithm and R-tree insertion algorithm is then proposed. Experimental analysis on comparative performance of spatial indexing shows that by the new method the overlap of R-tree sibling nodes is minimized drastically and a balance in the volumes of the nodes is maintained.

Constraining the generalized uncertainty principle with the atomic weak-equivalence-principle test

NASA Astrophysics Data System (ADS)

Gao, Dongfeng; Wang, Jin; Zhan, Mingsheng

2017-04-01

Various models of quantum gravity imply the Planck-scale modifications of Heisenberg's uncertainty principle into a so-called generalized uncertainty principle (GUP). The GUP effects on high-energy physics, cosmology, and astrophysics have been extensively studied. Here, we focus on the weak-equivalence-principle (WEP) violation induced by the GUP. Results from the WEP test with the 85Rb-87Rb dual-species atom interferometer are used to set upper bounds on parameters in two GUP proposals. A 1045-level bound on the Kempf-Mangano-Mann proposal and a 1027-level bound on Maggiore's proposal, which are consistent with bounds from other experiments, are obtained. All these bounds have huge room for improvement in the future.

Weak-Lensing Mass Calibration of the Atacama Cosmology Telescope Equatorial Sunyaev-Zeldovich Cluster Sample with the Canada-France-Hawaii Telescope Stripe 82 Survey

NASA Technical Reports Server (NTRS)

Battaglia, N.; Leauthaud, A.; Miyatake, H.; Hasseleld, M.; Gralla, M. B.; Allison, R.; Bond, J. R.; Calabrese, E.; Crichton, D.; Devlin, M. J.;

Broadband Microwave Spectroscopy as a Tool to Study Intermolecular Interactions in the Diphenyl Ether - Water System

NASA Astrophysics Data System (ADS)

Fatima, Mariyam; Perez, Cristobal; Schnell, Melanie

2017-06-01

Many biological processes, such as chemical recognition and protein folding, are mainly controlled by the interplay of hydrogen bonds and dispersive forces. This interplay also occurs between organic molecules and solvent water molecules. Broadband rotational spectroscopy studies of weakly bound complexes are able to accurately reveal the structures and internal dynamics of molecular clusters isolated in the gas phase. Amongst them, water clusters with organic molecules are of particular interest. In this work, we investigate the interplay between different types of weak intermolecular interactions and how it controls the preferred interaction sites of aromatic ethers, where dispersive interactions may play a significant role. We present our results on diphenyl ether (C_{12}H_{10}O, 1,1'-Oxydibenzene) complexed with up to three molecules of water. Diphenyl ether is a flexible molecule, and it offers two competing binding sites for water: the ether oxygen and the aromatic π system. In order to determine the structure of the diphenyl ether-water complexes, we targeted transitions in the 2-8 GHz range using broadband rotational spectroscopy. We identify two isomers with one water, one with two water, and one with three water molecules. Further analysis from isotopic substitution measurements provided accurate structural information. The preferred interactions, as well as the observed structural changes induced upon complexation, will be presented and discussed.

Evidence for weakly bound electrons in non-irradiated alkane crystals: The electrons as a probe of structural differences in crystals.

PubMed

Pietrow, M; Gagoś, M; Misiak, L E; Kornarzyński, K; Szurkowski, J; Rochowski, P; Grzegorczyk, M

2015-02-14

It is generally assumed that weakly bound (trapped) electrons in organic solids come only from radiolytical (or photochemical) processes like ionization caused by an excited positron entering the sample. This paper presents evidence for the presence of these electrons in non-irradiated samples of docosane. This can be due to the triboelectrification process. We argue that these electrons can be located (trapped) either in interlamellar gaps or in spaces made by non-planar conformers. Electrons from the former ones are bound more weakly than electrons from the latter ones. The origin of Vis absorption for the samples is explained. These spectra can be used as a probe indicating differences in the solid structures of hydrocarbons.

Analysis of basic clustering algorithms for numerical estimation of statistical averages in biomolecules.

PubMed

Anandakrishnan, Ramu; Onufriev, Alexey

2008-03-01

In statistical mechanics, the equilibrium properties of a physical system of particles can be calculated as the statistical average over accessible microstates of the system. In general, these calculations are computationally intractable since they involve summations over an exponentially large number of microstates. Clustering algorithms are one of the methods used to numerically approximate these sums. The most basic clustering algorithms first sub-divide the system into a set of smaller subsets (clusters). Then, interactions between particles within each cluster are treated exactly, while all interactions between different clusters are ignored. These smaller clusters have far fewer microstates, making the summation over these microstates, tractable. These algorithms have been previously used for biomolecular computations, but remain relatively unexplored in this context. Presented here, is a theoretical analysis of the error and computational complexity for the two most basic clustering algorithms that were previously applied in the context of biomolecular electrostatics. We derive a tight, computationally inexpensive, error bound for the equilibrium state of a particle computed via these clustering algorithms. For some practical applications, it is the root mean square error, which can be significantly lower than the error bound, that may be more important. We how that there is a strong empirical relationship between error bound and root mean square error, suggesting that the error bound could be used as a computationally inexpensive metric for predicting the accuracy of clustering algorithms for practical applications. An example of error analysis for such an application-computation of average charge of ionizable amino-acids in proteins-is given, demonstrating that the clustering algorithm can be accurate enough for practical purposes.

The Universe at Moderate Redshift

NASA Technical Reports Server (NTRS)

Cen, Renyue; Ostriker, Jeremiah P.

1997-01-01

The report covers the work done in the past year and a wide range of fields including properties of clusters of galaxies; topological properties of galaxy distributions in terms of galaxy types; patterns of gravitational nonlinear clustering process; development of a ray tracing algorithm to study the gravitational lensing phenomenon by galaxies, clusters and large-scale structure, one of whose applications being the effects of weak gravitational lensing by large-scale structure on the determination of q(0); the origin of magnetic fields on the galactic and cluster scales; the topological properties of Ly(alpha) clouds the Ly(alpha) optical depth distribution; clustering properties of Ly(alpha) clouds; and a determination (lower bound) of Omega(b) based on the observed Ly(alpha) forest flux distribution. In the coming year, we plan to continue the investigation of Ly(alpha) clouds using larger dynamic range (about a factor of two) and better simulations (with more input physics included) than what we have now. We will study the properties of galaxies on 1 - 100h(sup -1) Mpc scales using our state-of-the-art large scale galaxy formation simulations of various cosmological models, which will have a resolution about a factor of 5 (in each dimension) better than our current, best simulations. We will plan to study the properties of X-ray clusters using unprecedented, very high dynamic range (20,000) simulations which will enable us to resolve the cores of clusters while keeping the simulation volume sufficiently large to ensure a statistically fair sample of the objects of interest. The details of the last year's works are now described.

Description of an α-cluster tail in 8Be and 20Ne: Delocalization of the α cluster by quantum penetration

NASA Astrophysics Data System (ADS)

Kanada-En'yo, Yoshiko

2014-10-01

We analyze the α-cluster wave functions in cluster states of ^8Be and ^{20}Ne by comparing the exact relative wave function obtained by the generator coordinate method (GCM) with various types of trial functions. For the trial functions, we adopt the fixed range shifted Gaussian of the Brink-Bloch (BB) wave function, the spherical Gaussian with the adjustable range parameter of the spherical Tohsaki-Horiuchi-Schuck-Röpke (sTHSR), the deformed Gaussian of the deformed THSR (dTHSR), and a function with the Yukawa tail (YT). The quality of the description of the exact wave function with a trial function is judged by the squared overlap between the trial function and the GCM wave function. A better result is obtained with the sTHSR wave function than the BB wave function, and further improvement can be made with the dTHSR wave function because these wave functions can describe the outer tail better. The YT wave function gives almost an equal quality to or even better quality than the dTHSR wave function, indicating that the outer tail of α-cluster states is characterized by the Yukawa-like tail rather than the Gaussian tail. In weakly bound α-cluster states with small α separation energy and the low centrifugal and Coulomb barriers, the outer tail part is the slowly damping function described well by the quantum penetration through the effective barrier. This outer tail characterizes the almost zero-energy free α gas behavior, i.e., the delocalization of the cluster.

Diffraction Theory and Almost Periodic Distributions

NASA Astrophysics Data System (ADS)

Strungaru, Nicolae; Terauds, Venta

2016-09-01

We introduce and study the notions of translation bounded tempered distributions, and autocorrelation for a tempered distribution. We further introduce the spaces of weakly, strongly and null weakly almost periodic tempered distributions and show that for weakly almost periodic tempered distributions the Eberlein decomposition holds. For translation bounded measures all these notions coincide with the classical ones. We show that tempered distributions with measure Fourier transform are weakly almost periodic and that for this class, the Eberlein decomposition is exactly the Fourier dual of the Lebesgue decomposition, with the Fourier-Bohr coefficients specifying the pure point part of the Fourier transform. We complete the project by looking at few interesting examples.

Quantum liquid droplets in a mixture of Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Cabrera, C. R.; Tanzi, L.; Sanz, J.; Naylor, B.; Thomas, P.; Cheiney, P.; Tarruell, L.

2018-01-01

Quantum droplets are small clusters of atoms self-bound by the balance of attractive and repulsive forces. Here, we report on the observation of droplets solely stabilized by contact interactions in a mixture of two Bose-Einstein condensates. We demonstrate that they are several orders of magnitude more dilute than liquid helium by directly measuring their size and density via in situ imaging. We show that the droplets are stablized against collapse by quantum fluctuations and that they require a minimum atom number to be stable. Below that number, quantum pressure drives a liquid-to-gas transition that we map out as a function of interaction strength. These ultradilute isotropic liquids remain weakly interacting and constitute an ideal platform to benchmark quantum many-body theories.

A Reduced Basis Method with Exact-Solution Certificates for Symmetric Coercive Equations

DTIC Science & Technology

2013-11-06

the energy associated with the infinite - dimensional weak solution of parametrized symmetric coercive partial differential equations with piecewise...builds bounds with respect to the infinite - dimensional weak solution, aims to entirely remove the issue of the “truth” within the certified reduced basis...framework. We in particular introduce a reduced basis method that provides rigorous upper and lower bounds

Weak lensing magnification of SpARCS galaxy clusters

NASA Astrophysics Data System (ADS)

Tudorica, A.; Hildebrandt, H.; Tewes, M.; Hoekstra, H.; Morrison, C. B.; Muzzin, A.; Wilson, G.; Yee, H. K. C.; Lidman, C.; Hicks, A.; Nantais, J.; Erben, T.; van der Burg, R. F. J.; Demarco, R.

2017-12-01

Context. Measuring and calibrating relations between cluster observables is critical for resource-limited studies. The mass-richness relation of clusters offers an observationally inexpensive way of estimating masses. Its calibration is essential for cluster and cosmological studies, especially for high-redshift clusters. Weak gravitational lensing magnification is a promising and complementary method to shear studies, that can be applied at higher redshifts. Aims: We aim to employ the weak lensing magnification method to calibrate the mass-richness relation up to a redshift of 1.4. We used the Spitzer Adaptation of the Red-Sequence Cluster Survey (SpARCS) galaxy cluster candidates (0.2 < z < 1.4) and optical data from the Canada France Hawaii Telescope (CFHT) to test whether magnification can be effectively used to constrain the mass of high-redshift clusters. Methods: Lyman-break galaxies (LBGs) selected using the u-band dropout technique and their colours were used as a background sample of sources. LBG positions were cross-correlated with the centres of the sample of SpARCS clusters to estimate the magnification signal, which was optimally-weighted using an externally-calibrated LBG luminosity function. The signal was measured for cluster sub-samples, binned in both redshift and richness. Results: We measured the cross-correlation between the positions of galaxy cluster candidates and LBGs and detected a weak lensing magnification signal for all bins at a detection significance of 2.6-5.5σ. In particular, the significance of the measurement for clusters with z> 1.0 is 4.1σ; for the entire cluster sample we obtained an average M200 of 1.28 -0.21+0.23 × 1014 M⊙. Conclusions: Our measurements demonstrated the feasibility of using weak lensing magnification as a viable tool for determining the average halo masses for samples of high redshift galaxy clusters. The results also established the success of using galaxy over-densities to select massive clusters at z > 1. Additional studies are necessary for further modelling of the various systematic effects we discussed.

Evidence for weakly bound electrons in non-irradiated alkane crystals: The electrons as a probe of structural differences in crystals

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

Pietrow, M., E-mail: mrk@kft.umcs.lublin.pl; Misiak, L. E.; Gagoś, M.

2015-02-14

It is generally assumed that weakly bound (trapped) electrons in organic solids come only from radiolytical (or photochemical) processes like ionization caused by an excited positron entering the sample. This paper presents evidence for the presence of these electrons in non-irradiated samples of docosane. This can be due to the triboelectrification process. We argue that these electrons can be located (trapped) either in interlamellar gaps or in spaces made by non-planar conformers. Electrons from the former ones are bound more weakly than electrons from the latter ones. The origin of Vis absorption for the samples is explained. These spectra canmore » be used as a probe indicating differences in the solid structures of hydrocarbons.« less

Discovery of Small Molecules that Inhibit the Disordered Protein, p27Kip1

PubMed Central

Iconaru, Luigi I.; Ban, David; Bharatham, Kavitha; Ramanathan, Arvind; Zhang, Weixing; Shelat, Anang A.; Zuo, Jian; Kriwacki, Richard W.

2015-01-01

Disordered proteins are highly prevalent in biological systems, they control myriad signaling and regulatory processes, and their levels and/or cellular localization are often altered in human disease. In contrast to folded proteins, disordered proteins, due to conformational heterogeneity and dynamics, are not considered viable drug targets. We challenged this paradigm by identifying through NMR-based screening small molecules that bound specifically, albeit weakly, to the disordered cell cycle regulator, p27Kip1 (p27). Two groups of molecules bound to sites created by transient clusters of aromatic residues within p27. Conserved chemical features within these two groups of small molecules exhibited complementarity to their binding sites within p27, establishing structure-activity relationships for small molecule:disordered protein interactions. Finally, one compound counteracted the Cdk2/cyclin A inhibitory function of p27 in vitro, providing proof-of-principle that small molecules can inhibit the function of a disordered protein (p27) through sequestration in a conformation incapable of folding and binding to a natural regulatory target (Cdk2/cyclin A). PMID:26507530

Discovery of Small Molecules that Inhibit the Disordered Protein, p27 Kip1

DOE PAGES

Iconaru, Luigi I.; Ban, David; Bharatham, Kavitha; ...

2015-10-28

In disordered proteins we see that they are highly prevalent in biological systems. They control myriad signaling and regulatory processes, and their levels and/or cellular localization are often altered in human disease. In contrast to folded proteins, disordered proteins, due to conformational heterogeneity and dynamics, are not considered viable drug targets. We challenged this paradigm by identifying through NMR-based screening small molecules that bound specifically, albeit weakly, to the disordered cell cycle regulator, p27 Kip1 (p27). Moreover, two groups of molecules bound to sites created by transient clusters of aromatic residues within p27. Conserved chemical features within these two groupsmore » of small molecules exhibited complementarity to their binding sites within p27, establishing structure-activity relationships for small molecule: disordered protein interactions. Finally, one compound counteracted the Cdk2/cyclin A inhibitory function of p27 in vitro, providing proof-of- principle that small molecules can inhibit the function of a disordered protein (p27) through sequestration in a conformation incapable of folding and binding to a natural regulatory target (Cdk2/cyclin A).« less

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

Iconaru, Luigi I.; Ban, David; Bharatham, Kavitha

In disordered proteins we see that they are highly prevalent in biological systems. They control myriad signaling and regulatory processes, and their levels and/or cellular localization are often altered in human disease. In contrast to folded proteins, disordered proteins, due to conformational heterogeneity and dynamics, are not considered viable drug targets. We challenged this paradigm by identifying through NMR-based screening small molecules that bound specifically, albeit weakly, to the disordered cell cycle regulator, p27 Kip1 (p27). Moreover, two groups of molecules bound to sites created by transient clusters of aromatic residues within p27. Conserved chemical features within these two groupsmore » of small molecules exhibited complementarity to their binding sites within p27, establishing structure-activity relationships for small molecule: disordered protein interactions. Finally, one compound counteracted the Cdk2/cyclin A inhibitory function of p27 in vitro, providing proof-of- principle that small molecules can inhibit the function of a disordered protein (p27) through sequestration in a conformation incapable of folding and binding to a natural regulatory target (Cdk2/cyclin A).« less

Limit on graviton mass from galaxy cluster Abell 1689

NASA Astrophysics Data System (ADS)

Desai, Shantanu

2018-02-01

To date, the only limit on graviton mass using galaxy clusters was obtained by Goldhaber and Nieto in 1974, using the fact that the orbits of galaxy clusters are bound and closed, and extend up to 580 kpc. From positing that only a Newtonian potential gives rise to such stable bound orbits, a limit on the graviton mass m_g<10^{-29} eV was obtained (PRD 9,1119, 1974). Recently, it has been shown that one can obtain closed bound orbits for Yukawa potential (arXiv:1705.02444), thus invalidating the main ansatz used in Goldhaber and Nieto to obtain the graviton mass bound. In order to obtain a revised estimate using galaxy clusters, we use dynamical mass models of the Abell 1689 (A1689) galaxy cluster to check their compatibility with a Yukawa gravitational potential. We assume mass models for the gas, dark matter, and galaxies for A1689 from arXiv:1703.10219 and arXiv:1610.01543, who used this cluster to test various alternate gravity theories, which dispense with the need for dark matter. We quantify the deviations in the acceleration profile using these mass models assuming a Yukawa potential and that obtained assuming a Newtonian potential by calculating the χ^2 residuals between the two profiles. Our estimated bound on the graviton mass (m_g) is thereby given by, m_g < 1.37 × 10^{-29} eV or in terms of the graviton Compton wavelength of, λ_g>9.1 × 10^{19} km at 90% confidence level.

Systematization of published research graphics characterizing weakly bound molecular complexes with carbon dioxide

NASA Astrophysics Data System (ADS)

Lavrentiev, N. A.; Rodimova, O. B.; Fazliev, A. Z.; Vigasin, A. A.

2017-11-01

An approach is suggested to the formation of applied ontologies in subject domains where results are represented in graphical form. An approach to systematization of research graphics is also given which contains information on weakly bound carbon dioxide complexes. The results of systematization of research plots and images that characterize the spectral properties of the CO2 complexes are presented.

Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure

PubMed Central

Fout, Alison R.; Xiao, Dianne J.; Zhao, Qinliang; Harris, T. David; King, Evan R.; Eames, Emily V.; Zheng, Shao-Liang; Betley, Theodore A.

2012-01-01

Transamination of divalent transition metal starting materials (M2(N(SiMe3)2)4, M = Mn, Co) with hexadentate ligand platforms RLH6 (RLH6 = MeC(CH2NPh-o-NR)3 where R = H, Ph, Mes (Mes = Mesityl)) or H,CyLH6 = 1,3,5-C6H9(NHPh-o-NH2)3 with added pyridine or tertiary phosphine co-ligands afforded trinuclear complexes of the type (RL)Mn3(py)3 and (RL)Co3(PMe2R’)3 (R’ = Me, Ph). While the sterically less encumbered ligand varieties, HL or PhL, give rise to local square-pyramidal geometries at each of the bound metal atoms, with four anilides forming an equatorial plane and an exogenous pyridine or phosphine in the apical site, the mesityl-substituted ligand (MesL) engenders local tetrahedral coordination. Both the neutral Mn3 and Co3 clusters feature S = 1/2 ground states, as determined by dc magnetometry, 1H NMR spectroscopy, and low-temperature EPR spectroscopy. Within the Mn3 clusters, the long internuclear Mn–Mn separations suggest minimal direct metal-metal orbital overlap. Accordingly, fits to variable-temperature magnetic susceptibility data reveal the presence of weak antiferromagnetic superexchange interactions through the bridging anilide ligands with exchange couplings ranging from J = −16.8 to −42 cm−1. Conversely, the short Co–Co interatomic distances suggest a significant degree of direct metal-metal orbital overlap, akin to the related Fe3 clusters. With the Co3 series, the S = 1/2 ground state can be attributed to population of a single molecular orbital manifold that arises from mixing of the metal- and o-phenylenediamide (OPDA) ligand-based frontier orbitals. Chemical oxidation of the neutral Co3 clusters affords diamagnetic cationic clusters of the type [(RL)Co3(PMe2R)3]+. DFT calculations on the neutral (S = ½) and cationic (S = 0) Co3 clusters reveal that oxidation occurs at an oribital with contributions from both the Co3 core and OPDA subunits. The predicted bond elongations within the ligand OPDA units are corroborated by the ligand bond perturbations observed by X-ray crystallography. PMID:22991939

Cosmic variance of the galaxy cluster weak lensing signal

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

Gruen, D.; Seitz, S.; Becker, M. R.

Intrinsic variations of the projected density profiles of clusters of galaxies at fixed mass are a source of uncertainty for cluster weak lensing. We present a semi-analytical model to account for this effect, based on a combination of variations in halo concentration, ellipticity and orientation, and the presence of correlated haloes. We calibrate the parameters of our model at the 10 per cent level to match the empirical cosmic variance of cluster profiles at M 200m ≈ 10 14…10 15h –1M ⊙, z = 0.25…0.5 in a cosmological simulation. We show that weak lensing measurements of clusters significantly underestimate massmore » uncertainties if intrinsic profile variations are ignored, and that our model can be used to provide correct mass likelihoods. Effects on the achievable accuracy of weak lensing cluster mass measurements are particularly strong for the most massive clusters and deep observations (with ≈20 per cent uncertainty from cosmic variance alone at M 200m ≈ 10 15h –1M ⊙ and z = 0.25), but significant also under typical ground-based conditions. We show that neglecting intrinsic profile variations leads to biases in the mass-observable relation constrained with weak lensing, both for intrinsic scatter and overall scale (the latter at the 15 per cent level). Furthermore, these biases are in excess of the statistical errors of upcoming surveys and can be avoided if the cosmic variance of cluster profiles is accounted for.« less

Cosmic variance of the galaxy cluster weak lensing signal

DOE PAGES

Gruen, D.; Seitz, S.; Becker, M. R.; ...

2015-04-13

Intrinsic variations of the projected density profiles of clusters of galaxies at fixed mass are a source of uncertainty for cluster weak lensing. We present a semi-analytical model to account for this effect, based on a combination of variations in halo concentration, ellipticity and orientation, and the presence of correlated haloes. We calibrate the parameters of our model at the 10 per cent level to match the empirical cosmic variance of cluster profiles at M 200m ≈ 10 14…10 15h –1M ⊙, z = 0.25…0.5 in a cosmological simulation. We show that weak lensing measurements of clusters significantly underestimate massmore » uncertainties if intrinsic profile variations are ignored, and that our model can be used to provide correct mass likelihoods. Effects on the achievable accuracy of weak lensing cluster mass measurements are particularly strong for the most massive clusters and deep observations (with ≈20 per cent uncertainty from cosmic variance alone at M 200m ≈ 10 15h –1M ⊙ and z = 0.25), but significant also under typical ground-based conditions. We show that neglecting intrinsic profile variations leads to biases in the mass-observable relation constrained with weak lensing, both for intrinsic scatter and overall scale (the latter at the 15 per cent level). Furthermore, these biases are in excess of the statistical errors of upcoming surveys and can be avoided if the cosmic variance of cluster profiles is accounted for.« less

Impact of a star formation efficiency profile on the evolution of open clusters

NASA Astrophysics Data System (ADS)

Shukirgaliyev, B.; Parmentier, G.; Berczik, P.; Just, A.

2017-09-01

Aims: We study the effect of the instantaneous expulsion of residual star-forming gas on star clusters in which the residual gas has a density profile that is shallower than that of the embedded cluster. This configuration is expected if star formation proceeds with a given star-formation efficiency per free-fall time in a centrally concentrated molecular gas clump. Methods: We performed direct N-body simulations whose initial conditions were generated by the program "mkhalo" from the package "falcON", adapted for our models. Our model clusters initially had a Plummer profile and are in virial equilibrium with the gravitational potential of the cluster-forming clump. The residual gas contribution was computed based on a local-density driven clustered star formation model. Our simulations included mass loss by stellar evolution and the tidal field of a host galaxy. Results: We find that a star cluster with a minimum global star formation efficiency (SFE) of 15 percent is able to survive instantaneous gas expulsion and to produce a bound cluster. Its violent relaxation lasts no longer than 20 Myr, independently of its global SFE and initial stellar mass. At the end of violent relaxation, the bound fractions of the surviving clusters with the same global SFEs are similar, regardless of their initial stellar mass. Their subsequent lifetime in the gravitational field of the Galaxy depends on their bound stellar masses. Conclusions: We therefore conclude that the critical SFE needed to produce a bound cluster is 15 percent, which is roughly half the earlier estimates of 33 percent. Thus we have improved the survival likelihood of young clusters after instantaneous gas expulsion. Young clusters can now survive instantaneous gas expulsion with a global SFEs as low as the SFEs observed for embedded clusters in the solar neighborhood (15-30 percent). The reason is that the star cluster density profile is steeper than that of the residual gas. However, in terms of the effective SFE, measured by the virial ratio of the cluster at gas expulsion, our results are in agreement with previous studies.

Chemical accuracy from quantum Monte Carlo for the benzene dimer.

PubMed

Azadi, Sam; Cohen, R E

2015-09-14

We report an accurate study of interactions between benzene molecules using variational quantum Monte Carlo (VMC) and diffusion quantum Monte Carlo (DMC) methods. We compare these results with density functional theory using different van der Waals functionals. In our quantum Monte Carlo (QMC) calculations, we use accurate correlated trial wave functions including three-body Jastrow factors and backflow transformations. We consider two benzene molecules in the parallel displaced geometry, and find that by highly optimizing the wave function and introducing more dynamical correlation into the wave function, we compute the weak chemical binding energy between aromatic rings accurately. We find optimal VMC and DMC binding energies of -2.3(4) and -2.7(3) kcal/mol, respectively. The best estimate of the coupled-cluster theory through perturbative triplets/complete basis set limit is -2.65(2) kcal/mol [Miliordos et al., J. Phys. Chem. A 118, 7568 (2014)]. Our results indicate that QMC methods give chemical accuracy for weakly bound van der Waals molecular interactions, comparable to results from the best quantum chemistry methods.

Measuring the Mass Distribution in Z is Approximately 0.2 Cluster Lenses with XMM, HST and CFHT

NASA Technical Reports Server (NTRS)

2004-01-01

Being the most massive gravitationally bound objects in the Universe, clusters of galaxies are prime targets for studies of structure formation and evolution. Specifically the comoving space density of virialized clusters of a given mass (or X-ray temperature), but also the frequency and degree of substructure, as well as the shape of the cluster mass profile are quantities whose current values and evolution as a function of lookback time can provide important constraints on the cosmological and physical parameters of structure formation theories. The project funded by NASA grant NAG 5-10041 intended to take such studies to a new level by combining observations of a well-selected cluster sample by three state-of-the-art telescopes: HST, to accurately measure the mass distribution in the cluster core (approx. 0.5 h(sup -1)(sub 50) Mpc) via strong gravitational lensing; CFHT, to measure the large scale mass distribution out to approx. 3 Mpc via weak lensing; and XMM, to measure the gas density and temperature distribution accurately on intermediate scales < 1.5 Mpc. XMM plays a pivotal role in this context as the calibration of X-ray mass measurements through accurate, spatially resolved X-ray temperature measurements (particularly in the cosmologically most sensitive range of kT> 5 keV) is central to the questions outlined above. This set of observations promised to yield the best cluster mass measurements obtained so far for a representative sample, thus allowing us to: 1) Measure the high-mass end of the local cluster mass function; 2) Test predictions of a universal cluster mass profile; 3) calibrate the mass-temperature and temperature-luminosity relations for clusters and the scatter around these relations, which is vital for studies of cluster evolution using the X-ray temperature and X-ray luminosity functions.

Reaction Mechanisms in Collisions Induced by Halo and/or Weakly Bound Nuclei Around the Barrier: the 13N+9Be and 6He+64Zn Collisions

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

Figuera, P.; Cardella, G.; Di Pietro, A.

2006-08-14

The study of reaction mechanisms in collisions induced by halo and/or weakly bound nuclei around the barrier has recently been the subject of many theoretical and experimental papers. Here we discuss our recent results concerning the study of the systems 13N+9Be and 6He+64Zn.

Vibrational spectroscopy of NO + (H2O)n: Evidence for the intracluster reaction NO + (H2O)n --> H3O + (H2O)n - 2 (HONO) at n => 4

NASA Astrophysics Data System (ADS)

Choi, Jong-Ho; Kuwata, Keith T.; Haas, Bernd-Michael; Cao, Yibin; Johnson, Matthew S.; Okumura, Mitchio

1994-05-01

Infrared spectra of mass-selected clusters NO+(H2O)n for n=1 to 5 were recorded from 2700 to 3800 cm-1 by vibrational predissociation spectroscopy. Vibrational frequencies and intensities were also calculated for n=1 and 2 at the second-order Møller-Plesset (MP2) level, to aid in the interpretation of the spectra, and at the singles and doubles coupled cluster (CCSD) level energies of n=1 isomers were computed at the MP2 geometries. The smaller clusters (n=1 to 3) were complexes of H2O ligands bound to a nitrosonium ion NO+ core. They possessed perturbed H2O stretch bands and dissociated by loss of H2O. The H2O antisymmetric stretch was absent in n=1 and gradually increased in intensity with n. In the n=4 clusters, we found evidence for the beginning of a second solvation shell as well as the onset of an intracluster reaction that formed HONO. These clusters exhibited additional weak, broad bands between 3200 and 3400 cm-1 and two new minor photodissociation channels, loss of HONO and loss of two H2O molecules. The reaction appeared to go to completion within the n=5 clusters. The primary dissociation channel was loss of HONO, and seven vibrational bands were observed. From an analysis of the spectrum, we concluded that the n=5 cluster rearranged to form H3O+(H2O)3(HONO), i.e., an adduct of the reaction products.

Selenium fractions in organic matter from Se-rich soils and weathered stone coal in selenosis areas of China.

PubMed

Qin, Hai-bo; Zhu, Jian-ming; Su, Hui

2012-02-01

A high degree of association between Selenium (Se) and organic matter has been demonstrated in natural environments, but Se fractions and speciation in organic matter is unclear. In this study, a method for quantifying organic matter associated with Se (OM-Se) was developed to investigate Se fractions in organic matter in Se-rich soils and weathered stone coal from Enshi, China, where Se poisoning of humans and livestock has been documented. Initially, Se was extracted using water and a phosphate buffer. Subsequently, OM-Se was extracted using NaOH, and then speciated into Se associated with fulvic acids (FA-Se) and humic acids (HA-Se). Both FA-Se and HA-Se were further speciated into the weakly bound and strongly bound fractions using a customized hydride generation reactor. The results show that FA-Se (1.91-479 mg kg(-1)) is the predominant form of Se in all Se-rich soils and the weathered stone coal samples, accounting for more than 62% of OM-Se (3.07-484 mg kg(-1)). Weakly bound FA-Se (1.33-450 mg kg(-1)) was prevalent in the total FA-Se, while weakly bound HA-Se (0.62-26.2 mg kg(-1)) was variable in the total HA-Se (1.15-32.5 mg kg(-1)). These data indicate that OM-Se could play a significant source and sink role in the biogeochemical cycling of Se in the supergene environment. Weakly bound FA-Se seems to act as a potential source for bioavailable Se, whereas strongly bound HA-Se is a possible OM-Se sink which is not readily transformed into bioavailable Se. Copyright © 2011 Elsevier Ltd. All rights reserved.

Subaru Weak-Lensing Survey II: Multi-Object Spectroscopy and Cluster Masses

NASA Astrophysics Data System (ADS)

Hamana, Takashi; Miyazaki, Satoshi; Kashikawa, Nobunari; Ellis, Richard S.; Massey, Richard J.; Refregier, Alexandre; Taylor, James E.

2009-08-01

We present the first results of a multi-object spectroscopic campaign to follow up cluster candidates located via weak lensing. Our main goals are to search for spatial concentrations of galaxies that are plausible optical counterparts of the weak-lensing signals, and to determine the cluster redshifts from those of member galaxies. Around each of 36 targeted cluster candidates, we obtained 15-32 galaxy redshifts. For 28 of these targets, we confirmed a secure cluster identification, with more than five spectroscopic galaxies within a velocity of ±3000km s-1. This includes three cases where two clusters at different redshifts are projected along the same line-of-sight. In 6 of the 8 unconfirmed targets, we found multiple small galaxy concentrations at different redshifts, each containing at least three spectroscopic galaxies. The weak-lensing signal around those systems was thus probably created by the projection of groups or small clusters along the same line-of-sight. In both of the remaining two targets, a single small galaxy concentration was found. In some candidate super-cluster systems, we found additional evidence of filaments connecting the main density peak to an additional nearby structure. For a subsample of our most cleanly measured clusters, we investigated the statistical relation between their weak-lensing mass (MNFW, σSIS) and the velocity dispersion of their member galaxies (σv), comparing our sample with optically and X-ray selected samples from the literature. Our lensing-selected clusters are consistent with σv = σSIS, with a similar scatter to that of optically and X-ray selected clusters. We also derived an empirical relation between the cluster mass and the galaxy velocity dispersion, M200E(z) = 11.0 × 1014 × (σv/1000km s-1)3.0 h-1 Modot, which is in reasonable agreement with predictions of N-body simulations in the Λ CDM cosmology.

Monothiol glutaredoxins and A-type proteins: partners in Fe-S cluster trafficking.

PubMed

Mapolelo, Daphne T; Zhang, Bo; Randeniya, Sajini; Albetel, Angela-Nadia; Li, Haoran; Couturier, Jérémy; Outten, Caryn E; Rouhier, Nicolas; Johnson, Michael K

2013-03-07

Monothiol glutaredoxins (Grxs) are proposed to function in Fe-S cluster storage and delivery, based on their ability to exist as apo monomeric forms and dimeric forms containing a subunit-bridging [Fe(2)S(2)](2+) cluster, and to accept [Fe(2)S(2)](2+) clusters from primary scaffold proteins. In addition yeast cytosolic monothiol Grxs interact with Fra2 (Fe repressor of activation-2), to form a heterodimeric complex with a bound [Fe(2)S(2)](2+) cluster that plays a key role in iron sensing and regulation of iron homeostasis. In this work, we report on in vitro UV-visible CD studies of cluster transfer between homodimeric monothiol Grxs and members of the ubiquitous A-type class of Fe-S cluster carrier proteins ((Nif)IscA and SufA). The results reveal rapid, unidirectional, intact and quantitative cluster transfer from the [Fe(2)S(2)](2+) cluster-bound forms of A. thaliana GrxS14, S. cerevisiae Grx3, and A. vinelandii Grx-nif homodimers to A. vinelandii(Nif)IscA and from A. thaliana GrxS14 to A. thaliana SufA1. Coupled with in vivo evidence for interaction between monothiol Grxs and A-type Fe-S cluster carrier proteins, the results indicate that these two classes of proteins work together in cellular Fe-S cluster trafficking. However, cluster transfer is reversed in the presence of Fra2, since the [Fe(2)S(2)](2+) cluster-bound heterodimeric Grx3-Fra2 complex can be formed by intact [Fe(2)S(2)](2+) cluster transfer from (Nif)IscA. The significance of these results for Fe-S cluster biogenesis or repair and the cellular regulation of the Fe-S cluster status are discussed.

Locating Bound Structures in the Accelerating Universe

NASA Astrophysics Data System (ADS)

Pearson, David; Batuski, D. J.

2013-01-01

Given the overwhelming evidence of the universe’s accelerating expansion, the question of what structures are gravitationally bound becomes one of utmost interest. Dunner et al. 2006 (D06) and Busha et al. 2003 (B03) set out to answer this question analytically, and they arrived at fairly different answers owing to the differences in their assumptions of velocities at the present epoch. Applying their criteria to different superclusters, it’s possible to make predictions about what structures may be bound. We apply the criteria of D06 and B03 to the Aquarius, Microscopium, Corona Borealis, and Shapley superclusters to make predictions about what structures might be bound and compare with the results of simple N-body simulations to determine which method is a better predictor and to determine the likelihood that parts or all of the superclusters listed above are bound. We find that D06 tend to predict more structure to be bound than B03, and the results of the N-body simulations usually lie somewhere in between the two sets of predictions. Observational evidence, and simulation data suggests that pairs of clusters in Aquarius and Microscopium are gravitationally bound, and that Shapley contains a large complex of clusters that are bound, along with some additional bound pairs. The likelihood that any of the clusters in Corona Borealis are bound to one another is very small, contrary to the claims of Small et al. 1998, who claimed that the entire supercluster is likely gravitationally bound. Busha M. T., Adams F. C., Wechsler R. H., Evrard A. E., 2003, ApJ, 596, 713 Dunner R., Araya P. A., Meza A., Reisenegger A., 2006, MNRAS, 306, 803 Small T. A., Ma C., Sargent W. L. W., Hamilton D., 1998, ApJ, 492, 45

Sunyaev-Zel'dovich Effect and X-ray Scaling Relations from Weak-Lensing Mass Calibration of 32 SPT Selected Galaxy Clusters

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

Dietrich, J.P.; et al.

Uncertainty in the mass-observable scaling relations is currently the limiting factor for galaxy cluster based cosmology. Weak gravitational lensing can provide a direct mass calibration and reduce the mass uncertainty. We present new ground-based weak lensing observations of 19 South Pole Telescope (SPT) selected clusters and combine them with previously reported space-based observations of 13 galaxy clusters to constrain the cluster mass scaling relations with the Sunyaev-Zel'dovich effect (SZE), the cluster gas massmore » $$M_\\mathrm{gas}$$, and $$Y_\\mathrm{X}$$, the product of $$M_\\mathrm{gas}$$ and X-ray temperature. We extend a previously used framework for the analysis of scaling relations and cosmological constraints obtained from SPT-selected clusters to make use of weak lensing information. We introduce a new approach to estimate the effective average redshift distribution of background galaxies and quantify a number of systematic errors affecting the weak lensing modelling. These errors include a calibration of the bias incurred by fitting a Navarro-Frenk-White profile to the reduced shear using $N$-body simulations. We blind the analysis to avoid confirmation bias. We are able to limit the systematic uncertainties to 6.4% in cluster mass (68% confidence). Our constraints on the mass-X-ray observable scaling relations parameters are consistent with those obtained by earlier studies, and our constraints for the mass-SZE scaling relation are consistent with the the simulation-based prior used in the most recent SPT-SZ cosmology analysis. We can now replace the external mass calibration priors used in previous SPT-SZ cosmology studies with a direct, internal calibration obtained on the same clusters.« less

Constraining neutrino properties with a Euclid-like galaxy cluster survey

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

Cerbolini, M. Costanzi Alunno; Sartoris, B.; Borgani, S.

2013-06-01

We perform a forecast analysis on how well a Euclid-like photometric galaxy cluster survey will constrain the total neutrino mass and effective number of neutrino species. We base our analysis on the Monte Carlo Markov Chains technique by combining information from cluster number counts and cluster power spectrum. We find that combining cluster data with Cosmic Microwave Background (CMB) measurements from Planck improves by more than an order of magnitude the constraint on neutrino masses compared to each probe used independently. For the ΛCDM+m{sub ν} model the 2σ upper limit on total neutrino mass shifts from Σm{sub ν} < 0.35more » eV using cluster data alone to Σm{sub ν} < 0.031 eV when combined with Planck data. When a non-standard scenario with N{sub eff}≠3.046 number of neutrino species is considered, we estimate an upper limit of N{sub eff} < 3.14 (95%CL), while the bounds on neutrino mass are relaxed to Σm{sub ν} < 0.040 eV. This accuracy would be sufficient for a 2σ detection of neutrino mass even in the minimal normal hierarchy scenario (Σm{sub ν} ≅ 0.05 eV). In addition to the extended ΛCDM+m{sub ν}+N{sub eff} model we also consider scenarios with a constant dark energy equation of state and a non-vanishing curvature. When these models are considered the error on Σm{sub ν} is only slightly affected, while there is a larger impact of the order of ∼ 15% and ∼ 20% respectively on the 2σ error bar of N{sub eff} with respect to the standard case. To assess the effect of an uncertain knowledge of the relation between cluster mass and optical richness, we also treat the ΛCDM+m{sub ν}+N{sub eff} case with free nuisance parameters, which parameterize the uncertainties on the cluster mass determination. Adopting the over-conservative assumption of no prior knowledge on the nuisance parameter the loss of information from cluster number counts leads to a large degradation of neutrino constraints. In particular, the upper bounds for Σm{sub ν} are relaxed by a factor larger than two, Σm{sub ν} < 0.083 eV (95%CL), hence compromising the possibility of detecting the total neutrino mass with good significance. We thus confirm the potential that a large optical/near-IR cluster survey, like that to be carried out by Euclid, could have in constraining neutrino properties, and we stress the importance of a robust measurement of masses, e.g. from weak lensing within the Euclid survey, in order to full exploit the cosmological information carried by such survey.« less

An elastic band exercise program for older adults using wheelchairs in Taiwan nursing homes: a cluster randomized trial.

PubMed

Chen, Kuei-Min; Li, Chun-Huw; Chang, Ya-Hui; Huang, Hsin-Ting; Cheng, Yin-Yin

2015-01-01

The number of older adults using wheelchairs in nursing homes is over 50% of that population, and many of them use wheelchairs due to muscle weakness in the lower extremities. Muscles of older adults are trainable, and progressive resistance exercises using elastic bands can increase muscle strength in older adults. To test the effectiveness of six-month Wheelchair-bound Senior Elastic Band exercises on the functional fitness of older adults in nursing homes. Cluster randomized trial. Ten nursing homes, southern Taiwan. 127 participants were recruited, and 114 of them completed the study. Inclusion criteria were: (1) aged 65 and over, (2) using wheelchairs for mobility, (3) living in the facility for at least three months, (4) cognitively intact, and (5) heavily or moderate dependency in their activities of daily living. The mean age of the participants was 79.15 (7.03) years, and 98.20% of them had chronic illnesses. Participants were randomly assigned to the experimental (five nursing homes, n=59) or the control (five nursing homes, n=55) group based on the nursing homes where they stayed. A 40-min Wheelchair-bound Senior Elastic Band exercise program was implemented three times per week for six months for the experimental group participants. The functional fitness (activities of daily living, lung capacity, body flexibilities, muscle power and endurance) of the participants was examined at baseline, after three months, and at the end of the six months study. The mixed-design, two-way analysis of variance was used to detect the interaction effects, and one-way repeated measures analysis of variance and analysis of covariance were performed to analyze the within-group and between-group differences. At the end of the six-month study, the Wheelchair-bound Senior Elastic Band group had better performances in all of the functional fitness indicators than the control group (all p<0.05). The Wheelchair-bound Senior Elastic Band exercises significantly improved the functional fitness of the older adults in wheelchairs. It is suggested that the program be incorporated as a part of daily activities for nursing home older adults in wheelchairs. Copyright © 2014 Elsevier Ltd. All rights reserved.

Theory vs. experiment for molecular clusters: Spectra of OCS trimers and tetramers

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

Evangelisti, Luca; Dipartimento di Chimica “G. Ciamician,” University of Bologna, Via Selmi 2, Bologna 40126; Perez, Cristobal

All singly substituted {sup 13}C, {sup 18}O, and {sup 34}S isotopomers of the previously known OCS trimer are observed in natural abundance in a broad-band spectrum measured with a chirped-pulse Fourier transform microwave spectrometer. The complete substitution structure thus obtained critically tests (and confirms) the common assumption that monomers tend to retain their free structure in a weakly bound cluster. A new OCS trimer isomer is also observed, and its structure is determined to be barrel-shaped but with the monomers all approximately aligned, in contrast to the original trimer which is barrel-shaped with two monomers aligned and one anti-aligned. Anmore » OCS tetramer spectrum is assigned for the first time, and the tetramer structure resembles an original trimer with an OCS monomer added at the end with two sulfur atoms. Infrared spectra observed in the region of the OCS ν{sub 1} fundamental (≈2060 cm{sup −1}) are assigned to the same OCS tetramer, and another infrared band is tentatively assigned to a different tetramer isomer. The experimental results are compared and contrasted with theoretical predictions from the literature and from new cluster calculations which use an accurate OCS pair potential and assume pairwise additivity.« less

Multiwavelength study of X-ray luminous clusters in the Hyper Suprime-Cam Subaru Strategic Program S16A field

NASA Astrophysics Data System (ADS)

Miyaoka, Keita; Okabe, Nobuhiro; Kitaguchi, Takao; Oguri, Masamune; Fukazawa, Yasushi; Mandelbaum, Rachel; Medezinski, Elinor; Babazaki, Yasunori; Nishizawa, Atsushi J.; Hamana, Takashi; Lin, Yen-Ting; Akamatsu, Hiroki; Chiu, I.-Non; Fujita, Yutaka; Ichinohe, Yuto; Komiyama, Yutaka; Sasaki, Toru; Takizawa, Motokazu; Ueda, Shutaro; Umetsu, Keiichi; Coupon, Jean; Hikage, Chiaki; Hoshino, Akio; Leauthaud, Alexie; Matsushita, Kyoko; Mitsuishi, Ikuyuki; Miyatake, Hironao; Miyazaki, Satoshi; More, Surhud; Nakazawa, Kazuhiro; Ota, Naomi; Sato, Kousuke; Spergel, David; Tamura, Takayuki; Tanaka, Masayuki; Tanaka, Manobu M.; Utsumi, Yousuke

2018-01-01

We present a joint X-ray, optical, and weak-lensing analysis for X-ray luminous galaxy clusters selected from the MCXC (Meta-Catalog of X-Ray Detected Clusters of Galaxies) cluster catalog in the Hyper Suprime-Cam Subaru Strategic Program (HSC-SSP) survey field with S16A data. As a pilot study for a series of papers, we measure hydrostatic equilibrium (HE) masses using XMM-Newton data for four clusters in the current coverage area out of a sample of 22 MCXC clusters. We additionally analyze a non-MCXC cluster associated with one MCXC cluster. We show that HE masses for the MCXC clusters are correlated with cluster richness from the CAMIRA catalog, while that for the non-MCXC cluster deviates from the scaling relation. The mass normalization of the relationship between cluster richness and HE mass is compatible with one inferred by matching CAMIRA cluster abundance with a theoretical halo mass function. The mean gas mass fraction based on HE masses for the MCXC clusters is = 0.125 ± 0.012 at spherical overdensity Δ = 500, which is ˜80%-90% of the cosmic mean baryon fraction, Ωb/Ωm, measured by cosmic microwave background experiments. We find that the mean baryon fraction estimated from X-ray and HSC-SSP optical data is comparable to Ωb/Ωm. A weak-lensing shear catalog of background galaxies, combined with photometric redshifts, is currently available only for three clusters in our sample. Hydrostatic equilibrium masses roughly agree with weak-lensing masses, albeit with large uncertainty. This study demonstrates that further multiwavelength study for a large sample of clusters using X-ray, HSC-SSP optical, and weak-lensing data will enable us to understand cluster physics and utilize cluster-based cosmology.

The impact of baryons on massive galaxy clusters: halo structure and cluster mass estimates

NASA Astrophysics Data System (ADS)

Henson, Monique A.; Barnes, David J.; Kay, Scott T.; McCarthy, Ian G.; Schaye, Joop

2017-03-01

We use the BAHAMAS (BAryons and HAloes of MAssive Systems) and MACSIS (MAssive ClusterS and Intercluster Structures) hydrodynamic simulations to quantify the impact of baryons on the mass distribution and dynamics of massive galaxy clusters, as well as the bias in X-ray and weak lensing mass estimates. These simulations use the subgrid physics models calibrated in the BAHAMAS project, which include feedback from both supernovae and active galactic nuclei. They form a cluster population covering almost two orders of magnitude in mass, with more than 3500 clusters with masses greater than 1014 M⊙ at z = 0. We start by characterizing the clusters in terms of their spin, shape and density profile, before considering the bias in both weak lensing and hydrostatic mass estimates. Whilst including baryonic effects leads to more spherical, centrally concentrated clusters, the median weak lensing mass bias is unaffected by the presence of baryons. In both the dark matter only and hydrodynamic simulations, the weak lensing measurements underestimate cluster masses by ≈10 per cent for clusters with M200 ≤ 1015 M⊙ and this bias tends to zero at higher masses. We also consider the hydrostatic bias when using both the true density and temperature profiles, and those derived from X-ray spectroscopy. When using spectroscopic temperatures and densities, the hydrostatic bias decreases as a function of mass, leading to a bias of ≈40 per cent for clusters with M500 ≥ 1015 M⊙. This is due to the presence of cooler gas in the cluster outskirts. Using mass weighted temperatures and the true density profile reduces this bias to 5-15 per cent.

The ErpA/NfuA complex builds an oxidation-resistant Fe-S cluster delivery pathway.

PubMed

Py, Béatrice; Gerez, Catherine; Huguenot, Allison; Vidaud, Claude; Fontecave, Marc; Ollagnier de Choudens, Sandrine; Barras, Frédéric

2018-05-18

Fe-S cluster-containing proteins occur in most organisms, wherein they assist in myriad processes from metabolism to DNA repair via gene expression and bioenergetic processes. Here, we used both in vitro and in vivo methods to investigate the capacity of the four Fe-S carriers, NfuA, SufA, ErpA, and IscA, to fulfill their targeting role under oxidative stress. Likewise, Fe-S clusters exhibited varying half-lives, depending on the carriers they were bound to; an NfuA-bound Fe-S cluster was more stable ( t ½ = 100 min) than those bound to SufA ( t ½ = 55 min), ErpA ( t ½ = 54 min), or IscA ( t ½ = 45 min). Surprisingly, the presence of NfuA further enhanced stability of the ErpA-bound cluster to t ½ = 90 min. Using genetic and plasmon surface resonance analyses, we showed that NfuA and ErpA interacted directly with client proteins, whereas IscA or SufA did not. Moreover, NfuA and ErpA interacted with one another. Given all of these observations, we propose an architecture of the Fe-S delivery network in which ErpA is the last factor that delivers cluster directly to most if not all client proteins. NfuA is proposed to assist ErpA under severely unfavorable conditions. A comparison with the strategy employed in yeast and eukaryotes is discussed. © 2018 Py et al.

When clusters collide: constraints on antimatter on the largest scales

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

Steigman, Gary, E-mail: steigman@mps.ohio-state.edu

2008-10-15

Observations have ruled out the presence of significant amounts of antimatter in the Universe on scales ranging from the solar system, to the Galaxy, to groups and clusters of galaxies, and even to distances comparable to the scale of the present horizon. Except for the model-dependent constraints on the largest scales, the most significant upper limits to diffuse antimatter in the Universe are those on the {approx}Mpc scale of clusters of galaxies provided by the EGRET upper bounds to annihilation gamma rays from galaxy clusters whose intracluster gas is revealed through its x-ray emission. On the scale of individual clustersmore » of galaxies the upper bounds to the fraction of mixed matter and antimatter for the 55 clusters from a flux-limited x-ray survey range from 5 Multiplication-Sign 10{sup -9} to <1 Multiplication-Sign 10{sup -6}, strongly suggesting that individual clusters of galaxies are made entirely of matter or of antimatter. X-ray and gamma-ray observations of colliding clusters of galaxies, such as the Bullet Cluster, permit these constraints to be extended to even larger scales. If the observations of the Bullet Cluster, where the upper bound to the antimatter fraction is found to be <3 Multiplication-Sign 10{sup -6}, can be generalized to other colliding clusters of galaxies, cosmologically significant amounts of antimatter will be excluded on scales of order {approx}20 Mpc (M{approx}5 Multiplication-Sign 10{sup 15}M{sub sun})« less

Facilitated dissociation of transcription factors from single DNA binding sites

PubMed Central

Kamar, Ramsey I.; Banigan, Edward J.; Erbas, Aykut; Giuntoli, Rebecca D.; Olvera de la Cruz, Monica; Johnson, Reid C.; Marko, John F.

2017-01-01

The binding of transcription factors (TFs) to DNA controls most aspects of cellular function, making the understanding of their binding kinetics imperative. The standard description of bimolecular interactions posits that TF off rates are independent of TF concentration in solution. However, recent observations have revealed that proteins in solution can accelerate the dissociation of DNA-bound proteins. To study the molecular basis of facilitated dissociation (FD), we have used single-molecule imaging to measure dissociation kinetics of Fis, a key Escherichia coli TF and major bacterial nucleoid protein, from single dsDNA binding sites. We observe a strong FD effect characterized by an exchange rate ∼1×104 M−1s−1, establishing that FD of Fis occurs at the single-binding site level, and we find that the off rate saturates at large Fis concentrations in solution. Although spontaneous (i.e., competitor-free) dissociation shows a strong salt dependence, we find that FD depends only weakly on salt. These results are quantitatively explained by a model in which partially dissociated bound proteins are susceptible to invasion by competitor proteins in solution. We also report FD of NHP6A, a yeast TF with structure that differs significantly from Fis. We further perform molecular dynamics simulations, which indicate that FD can occur for molecules that interact far more weakly than those that we have studied. Taken together, our results indicate that FD is a general mechanism assisting in the local removal of TFs from their binding sites and does not necessarily require cooperativity, clustering, or binding site overlap. PMID:28364020

First Weak-lensing Results from “See Change”: Quantifying Dark Matter in the Two z ≳ 1.5 High-redshift Galaxy Clusters SPT-CL J2040-4451 and IDCS J1426+3508

NASA Astrophysics Data System (ADS)

Jee, M. James; Ko, Jongwan; Perlmutter, Saul; Gonzalez, Anthony; Brodwin, Mark; Linder, Eric; Eisenhardt, Peter

2017-10-01

We present a weak-lensing study of SPT-CL J2040-4451 and IDCS J1426+3508 at z = 1.48 and 1.75, respectively. The two clusters were observed in our “See Change” program, a Hubble Space Telescope survey of 12 massive high-redshift clusters aimed at high-z supernova measurements and weak-lensing estimation of accurate cluster masses. We detect weak but significant galaxy shape distortions using infrared images from the Wide Field Camera 3 (WFC3), which has not yet been used for weak-lensing studies. Both clusters appear to possess relaxed morphology in projected mass distribution, and their mass centroids agree nicely with those defined by both the galaxy luminosity and X-ray emission. Using a Navarro-Frenk-White profile, for which we assume that the mass is tightly correlated with the concentration parameter, we determine the masses of SPT-CL J2040-4451 and IDCS J1426 + 3508 to be {M}200={8.6}-1.4+1.7× {10}14 {M}⊙ and {2.2}-0.7+1.1× {10}14 {M}⊙ , respectively. The weak-lensing mass of SPT-CL J2040-4451 shows that the cluster is clearly a rare object. Adopting the central value, the expected abundance of such a massive cluster at z≳ 1.48 is only ˜ 0.07 in the parent 2500 sq. deg. survey. However, it is yet premature to claim that the presence of this cluster creates a serious tension with the current ΛCDM paradigm unless that tension will remain in future studies after marginalizing over many sources of uncertainties such as the accuracy of the mass function and the mass-concentration relation at the high-mass end. The mass of IDCS J1426+3508 is in excellent agreement with our previous Advanced Camera for Surveys-based weak-lensing result, while the much higher source density from our WFC3 imaging data makes the current statistical uncertainty ˜ 40% smaller.

Optimizing weak lensing mass estimates for cluster profile uncertainty

DOE PAGES

Gruen, D.; Bernstein, G. M.; Lam, T. Y.; ...

2011-09-11

Weak lensing measurements of cluster masses are necessary for calibrating mass-observable relations (MORs) to investigate the growth of structure and the properties of dark energy. However, the measured cluster shear signal varies at fixed mass M 200m due to inherent ellipticity of background galaxies, intervening structures along the line of sight, and variations in the cluster structure due to scatter in concentrations, asphericity and substructure. We use N-body simulated halos to derive and evaluate a weak lensing circular aperture mass measurement M ap that minimizes the mass estimate variance <(M ap - M 200m) 2> in the presence of allmore » these forms of variability. Depending on halo mass and observational conditions, the resulting mass estimator improves on M ap filters optimized for circular NFW-profile clusters in the presence of uncorrelated large scale structure (LSS) about as much as the latter improve on an estimator that only minimizes the influence of shape noise. Optimizing for uncorrelated LSS while ignoring the variation of internal cluster structure puts too much weight on the profile near the cores of halos, and under some circumstances can even be worse than not accounting for LSS at all. As a result, we discuss the impact of variability in cluster structure and correlated structures on the design and performance of weak lensing surveys intended to calibrate cluster MORs.« less

HOW TO FIND YOUNG MASSIVE CLUSTER PROGENITORS

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

Bressert, E.; Longmore, S.; Testi, L.

2012-10-20

We propose that bound, young massive stellar clusters form from dense clouds that have escape speeds greater than the sound speed in photo-ionized gas. In these clumps, radiative feedback in the form of gas ionization is bottled up, enabling star formation to proceed to sufficiently high efficiency so that the resulting star cluster remains bound even after gas removal. We estimate the observable properties of the massive proto-clusters (MPCs) for existing Galactic plane surveys and suggest how they may be sought in recent and upcoming extragalactic observations. These surveys will potentially provide a significant sample of MPC candidates that willmore » allow us to better understand extreme star-formation and massive cluster formation in the Local Universe.« less

LoCuSS: weak-lensing mass calibration of galaxy clusters

NASA Astrophysics Data System (ADS)

Okabe, Nobuhiro; Smith, Graham P.

2016-10-01

We present weak-lensing mass measurements of 50 X-ray luminous galaxy clusters at 0.15 ≤ z ≤ 0.3, based on uniform high-quality observations with Suprime-Cam mounted on the 8.2-m Subaru telescope. We pay close attention to possible systematic biases, aiming to control them at the ≲4 per cent level. The dominant source of systematic bias in weak-lensing measurements of the mass of individual galaxy clusters is contamination of background galaxy catalogues by faint cluster and foreground galaxies. We extend our conservative method for selecting background galaxies with (V - I') colours redder than the red sequence of cluster members to use a colour-cut that depends on cluster-centric radius. This allows us to define background galaxy samples that suffer ≤1 per cent contamination, and comprise 13 galaxies per square arcminute. Thanks to the purity of our background galaxy catalogue, the largest systematic that we identify in our analysis is a shape measurement bias of 3 per cent, that we measure using simulations that probe weak shears up to g = 0.3. Our individual cluster mass and concentration measurements are in excellent agreement with predictions of the mass-concentration relation. Equally, our stacked shear profile is in excellent agreement with the Navarro Frenk and White profile. Our new Local Cluster Substructure Survey mass measurements are consistent with the Canadian Cluster Cosmology Project and Cluster Lensing And Supernova Survey with Hubble surveys, and in tension with the Weighing the Giants at ˜1σ-2σ significance. Overall, the consensus at z ≤ 0.3 that is emerging from these complementary surveys represents important progress for cluster mass calibration, and augurs well for cluster cosmology.

Formation of globular cluster candidates in merging proto-galaxies at high redshift: a view from the FIRE cosmological simulations

DOE PAGES

Kim, Ji-hoon; Ma, Xiangcheng; Grudić, Michael Y.; ...

2017-11-23

Using a state-of-the-art cosmological simulation of merging proto-galaxies at high redshift from the FIRE project, with explicit treatments of star formation and stellar feedback in the interstellar medium, we investigate the formation of star clusters and examine one of the formation hypotheses of present-day metal-poor globular clusters. Here, we find that frequent mergers in high-redshift proto-galaxies could provide a fertile environment to produce long-lasting bound star clusters. The violent merger event disturbs the gravitational potential and pushes a large gas mass of ≳ 10 5–6 M ⊙ collectively to high density, at which point it rapidly turns into stars beforemore » stellar feedback can stop star formation. The high dynamic range of the reported simulation is critical in realizing such dense star-forming clouds with a small dynamical time-scale, tff ≲ 3 Myr, shorter than most stellar feedback time-scales. Our simulation then allows us to trace how clusters could become virialized and tightly bound to survive for up to ~420 Myr till the end of the simulation. Finally, because the cluster's tightly bound core was formed in one short burst, and the nearby older stars originally grouped with the cluster tend to be preferentially removed, at the end of the simulation the cluster has a small age spread.« less

Formation of globular cluster candidates in merging proto-galaxies at high redshift: a view from the FIRE cosmological simulations

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

Kim, Ji-hoon; Ma, Xiangcheng; Grudić, Michael Y.

Using a state-of-the-art cosmological simulation of merging proto-galaxies at high redshift from the FIRE project, with explicit treatments of star formation and stellar feedback in the interstellar medium, we investigate the formation of star clusters and examine one of the formation hypotheses of present-day metal-poor globular clusters. Here, we find that frequent mergers in high-redshift proto-galaxies could provide a fertile environment to produce long-lasting bound star clusters. The violent merger event disturbs the gravitational potential and pushes a large gas mass of ≳ 10 5–6 M ⊙ collectively to high density, at which point it rapidly turns into stars beforemore » stellar feedback can stop star formation. The high dynamic range of the reported simulation is critical in realizing such dense star-forming clouds with a small dynamical time-scale, tff ≲ 3 Myr, shorter than most stellar feedback time-scales. Our simulation then allows us to trace how clusters could become virialized and tightly bound to survive for up to ~420 Myr till the end of the simulation. Finally, because the cluster's tightly bound core was formed in one short burst, and the nearby older stars originally grouped with the cluster tend to be preferentially removed, at the end of the simulation the cluster has a small age spread.« less

Formation of globular cluster candidates in merging proto-galaxies at high redshift: a view from the FIRE cosmological simulations

NASA Astrophysics Data System (ADS)

Kim, Ji-hoon; Ma, Xiangcheng; Grudić, Michael Y.; Hopkins, Philip F.; Hayward, Christopher C.; Wetzel, Andrew; Faucher-Giguère, Claude-André; Kereš, Dušan; Garrison-Kimmel, Shea; Murray, Norman

2018-03-01

Using a state-of-the-art cosmological simulation of merging proto-galaxies at high redshift from the FIRE project, with explicit treatments of star formation and stellar feedback in the interstellar medium, we investigate the formation of star clusters and examine one of the formation hypotheses of present-day metal-poor globular clusters. We find that frequent mergers in high-redshift proto-galaxies could provide a fertile environment to produce long-lasting bound star clusters. The violent merger event disturbs the gravitational potential and pushes a large gas mass of ≳ 105-6 M⊙ collectively to high density, at which point it rapidly turns into stars before stellar feedback can stop star formation. The high dynamic range of the reported simulation is critical in realizing such dense star-forming clouds with a small dynamical time-scale, tff ≲ 3 Myr, shorter than most stellar feedback time-scales. Our simulation then allows us to trace how clusters could become virialized and tightly bound to survive for up to ˜420 Myr till the end of the simulation. Because the cluster's tightly bound core was formed in one short burst, and the nearby older stars originally grouped with the cluster tend to be preferentially removed, at the end of the simulation the cluster has a small age spread.

The galaxy-subhalo connection in low-redshift galaxy clusters from weak gravitational lensing

NASA Astrophysics Data System (ADS)

Sifón, Cristóbal; Herbonnet, Ricardo; Hoekstra, Henk; van der Burg, Remco F. J.; Viola, Massimo

2018-07-01

We measure the gravitational lensing signal around satellite galaxies in a sample of galaxy clusters at z < 0.15 by combining high-quality imaging data from the Canada-France-Hawaii Telescope with a large sample of spectroscopically confirmed cluster members. We use extensive image simulations to assess the accuracy of shape measurements of faint, background sources in the vicinity of bright satellite galaxies. We find a small but significant bias, as light from the lenses makes the shapes of background galaxies appear radially aligned with the lens. We account for this bias by applying a correction that depends on both lens size and magnitude. We also correct for contamination of the source sample by cluster members. We use a physically motivated definition of subhalo mass, namely the mass bound to the subhalo, mbg, similar to definitions used by common subhalo finders in numerical simulations. Binning the satellites by stellar mass we provide a direct measurement of the subhalo-to-stellar-mass relation, log mbg/M⊙ = (11.54 ± 0.05) + (0.95 ± 0.10)log [m⋆/(2 × 1010 M⊙)]. This best-fitting relation implies that, at a stellar mass m⋆ ˜ 3 × 1010 M⊙, subhalo masses are roughly 50 per cent of those of central galaxies, and this fraction decreases at higher stellar masses. We find some evidence for a sharp change in the total-to-stellar mass ratio around the clusters' scale radius, which could be interpreted as galaxies within the scale radius having suffered more strongly from tidal stripping, but remain cautious regarding this interpretation.

The galaxy-subhalo connection in low-redshift galaxy clusters from weak gravitational lensing

NASA Astrophysics Data System (ADS)

Sifón, Cristóbal; Herbonnet, Ricardo; Hoekstra, Henk; van der Burg, Remco F. J.; Viola, Massimo

2018-05-01

We measure the gravitational lensing signal around satellite galaxies in a sample of galaxy clusters at z < 0.15 by combining high-quality imaging data from the Canada-France-Hawaii Telescope with a large sample of spectroscopically-confirmed cluster members. We use extensive image simulations to assess the accuracy of shape measurements of faint, background sources in the vicinity of bright satellite galaxies. We find a small but significant bias, as light from the lenses makes the shapes of background galaxies appear radially aligned with the lens. We account for this bias by applying a correction that depends on both lens size and magnitude. We also correct for contamination of the source sample by cluster members. We use a physically-motivated definition of subhalo mass, namely the mass bound to the subhalo, mbg, similar to definitions used by common subhalo finders in numerical simulations. Binning the satellites by stellar mass we provide a direct measurement of the subhalo-to-stellar-mass relation, log mbg/M⊙ = (11.54 ± 0.05) + (0.95 ± 0.10)log [m⋆/(2 × 1010M⊙)]. This best-fitting relation implies that, at a stellar mass m⋆ ˜ 3 × 1010 M⊙, subhalo masses are roughly 50 per cent of those of central galaxies, and this fraction decreases at higher stellar masses. We find some evidence for a sharp change in the total-to-stellar mass ratio around the clusters' scale radius, which could be interpreted as galaxies within the scale radius having suffered more strongly from tidal stripping, but remain cautious regarding this interpretation.

Kinematics and dynamics of the MKW/AWM poor clusters

NASA Technical Reports Server (NTRS)

Beers, Timothy C.; Kriessler, Jeffrey R.; Bird, Christina M.; Huchra, John P.

1995-01-01

We report 472 new redshifts for 416 galaxies in the regions of the 23 poor clusters of galaxies originally identified by Morgan, Kayser, and White (MKW), and Albert, White, and Morgan (AWM). Eighteen of the poor clusters now have 10 or more available redshifts within 1.5/h Mpc of the central galaxy; 11 clusters have at least 20 available redshifts. Based on the 21 clusters for which we have sufficient velocity information, the median velocity scale is 336 km/s, a factor of 2 smaller than found for rich clusters. Several of the poor clusters exhibit complex velocity distributions due to the presence of nearby clumps of galaxies. We check on the velocity of the dominant galaxy in each poor cluster relative to the remaining cluster members. Significantly high relative velocities of the dominant galaxy are found in only 4 of 21 poor clusters, 3 of which we suspect are due to contamination of the parent velocity distribution. Several statistical tests indicate that the D/cD galaxies are at the kinematic centers of the parent poor cluster velocity distributions. Mass-to-light ratios for 13 of the 15 poor clusters for which we have the required data are in the range 50 less than or = M/L(sub B(0)) less than or = 200 solar mass/solar luminosity. The complex nature of the regions surrounding many of the poor clusters suggests that these groupings may represent an early epoch of cluster formation. For example, the poor clusters MKW7 and MKWS are shown to be gravitationally bound and likely to merge to form a richer cluster within the next several Gyrs. Eight of the nine other poor clusters for which simple two-body dynamical models can be carried out are consistent with being bound to other clumps in their vicinity. Additional complex systems with more than two gravitationally bound clumps are observed among the poor clusters.

Using an innovative multiple regression procedure in a cancer population (Part 1): detecting and probing relationships of common interacting symptoms (pain, fatigue/weakness, sleep problems) as a strategy to discover influential symptom pairs and clusters.

PubMed

Francoeur, Richard B

2015-01-01

The majority of patients with advanced cancer experience symptom pairs or clusters among pain, fatigue, and insomnia. Improved methods are needed to detect and interpret interactions among symptoms or diesease markers to reveal influential pairs or clusters. In prior work, I developed and validated sequential residual centering (SRC), a method that improves the sensitivity of multiple regression to detect interactions among predictors, by conditioning for multicollinearity (shared variation) among interactions and component predictors. Using a hypothetical three-way interaction among pain, fatigue, and sleep to predict depressive affect, I derive and explain SRC multiple regression. Subsequently, I estimate raw and SRC multiple regressions using real data for these symptoms from 268 palliative radiation outpatients. Unlike raw regression, SRC reveals that the three-way interaction (pain × fatigue/weakness × sleep problems) is statistically significant. In follow-up analyses, the relationship between pain and depressive affect is aggravated (magnified) within two partial ranges: 1) complete-to-some control over fatigue/weakness when there is complete control over sleep problems (ie, a subset of the pain-fatigue/weakness symptom pair), and 2) no control over fatigue/weakness when there is some-to-no control over sleep problems (ie, a subset of the pain-fatigue/weakness-sleep problems symptom cluster). Otherwise, the relationship weakens (buffering) as control over fatigue/weakness or sleep problems diminishes. By reducing the standard error, SRC unmasks a three-way interaction comprising a symptom pair and cluster. Low-to-moderate levels of the moderator variable for fatigue/weakness magnify the relationship between pain and depressive affect. However, when the comoderator variable for sleep problems accompanies fatigue/weakness, only frequent or unrelenting levels of both symptoms magnify the relationship. These findings suggest that a countervailing mechanism involving depressive affect could account for the effectiveness of a cognitive behavioral intervention to reduce the severity of a pain, fatigue, and sleep disturbance cluster in a previous randomized trial.

The Design, Synthesis, and Characterization of Open Sites on Metal Clusters

NASA Astrophysics Data System (ADS)

Nigra, Michael Mark

Coordinatively unsaturated corner and edge atoms have been hypothesized to have the highest activity of sites responsible for many catalytic reactions on a metal surface. Recent studies have validated this hypothesis in varied reaction systems. However, quantification of different types of coordinatively unsaturated sites, and elucidation of their individual catalytic rates has remained a largely unresolved challenge when understanding catalysis on metal surfaces. Yet such structure-function knowledge would be invaluable to the design of more active and selective metal-surface catalysts in the future. I investigated the catalytic contributions of undercoordinated sites such as corner and edge atoms are investigated in a model reaction system using organic ligands bound to the gold nanoparticle surface. The catalyst consisted of 4 nm gold nanoparticles on a metal oxide support, using resazurin to resorufin as a model reaction system. My results demonstrate that in this system, corner atom sites are the most undercoordinated sites, and are over an order of magnitude more active when compared to undercoordinated edge atom sites, while terrace sites remain catalytically inactive for the reduction reaction of resazurin to resorufin. Catalytic activity has been also demonstrated for calixarene-bound gold nanoparticles using the reduction of 4-nitrophenol. With the 4-nitrophenol reduction reaction, a comparative study was undertaken to compare calixarene phosphine and calixarene thiol bound 4 nm gold particles. The results of the study suggested that a leached site was responsible for catalysis and not sites on the original gold nanoparticles. Future experiments with calixarene bound gold clusters could investigate ligand effects in reactions where the active site is not a leached or aggregated gold species, possibly in oxidation reactions, where electron-rich gold is hypothesized to be a good catalyst. The results that emphasize the enhanced catalytic activity of undercoordinated sites led me to synthesize small gold clusters consisting of a high fraction of coordinatively unsaturated open sites. This was enabled through an approach that utilized bulky calix[4]arene ligands that are bound to a gold core. Since the size of the calix[4]arene ligand is commensurate with the size of the gold cluster core, the calix[4]arene ligand does not pack closely together on the gold cluster surface. This in turn results in areas of accessible gold atom sites between ligands. Additionally, these calix[4]arene ligands prevent cluster aggregation and electronically tune the gold core in a manner conceptually similar to enzymes affecting reactivity through organic side-chains acting as ligands. I quantified the number of open sites that result from this packing problem on the gold cluster surface, using fluorescence probe chemisorption experiments. The results of these chemisorption measurements support the mechanical model of accessibility whereby accessibility is not dependent on the identity of the functional group, whether it be calixarene phosphines or N-heterocyclic carbenes, bound to the gold surface, but rather to the relative radii of curvature of bound ligands and the gold cluster core. Additional materials characterization was completed with transmission electron microscopy in both bright-field imaging of zeolites, in MCM-22 and delaminated ITQ-2 and UCB-1 materials, and in dark field imaging of glucan coatings on oxide particles. These materials could prove to be interesting materials as to use as supports for the calixarene-bound metal clusters described above or for other metal clusters.

Study of breakup and transfer of weakly bound nucleus 6Li to explore the low energy reaction dynamics

NASA Astrophysics Data System (ADS)

Zhang, G. L.; Zhang, G. X.; Hu, S. P.; Zhang, H. Q.; Gomes, P. R. S.; Lubian, J.; Guo, C. L.; Wu, X. G.; Yang, J. C.; Zheng, Y.; Li, C. B.; He, C. Y.; Zhong, J.; Li, G. S.; Yao, Y. J.; Guo, M. F.; Sun, H. B.; Valiente-Dobòn, J. J.; Goasduff, A.; Siciliano, M.; Galtarosa, F.; Francesco, R.; Testov, D.; Mengoni, D.; Bazzacco, D.; John, P. R.; Qu, W. W.; Wang, F.; Zheng, L.; Yu, L.; Chen, Q. M.; Luo, P. W.; Li, H. W.; Wu, Y. H.; Zhou, W. K.; Zhu, B. J.; Li, E. T.; Hao, X.

2017-11-01

Investigation of the breakup and transfer effect of weakly bound nuclei on the fusion process has been an interesting research topic in the past several years. However, owing to the low intensities of the presently available radioactive ion beam (RIB), it is difficult to clearly explore the reaction mechanisms of nuclear systems with unstable nuclei. In comparison with RIB, the beam intensities of stable weakly bound nuclei such as 6,7Li and 9Be, which have significant breakup probability, are orders of magnitude higher. Precise fusion measurements have already been performed with those stable weakly bound nuclei, and the effect of breakup of those nuclei on the fusion process has been extensively studied. Those nuclei indicated large production cross sections for particles other than the α + x breakup. The particles are originated from non-capture breakup (NCBU), incomplete fusion (ICF) and transfer processes. However, the conclusion of reaction dynamics was not clear and has the contradiction. In our previous experiments we have performed 6Li+96Zr and 154Sm at HI-13 Tandem accelerator of China Institute of Atomic Energy (CIAE) by using HPGe array. It is shown that there is a small complete fusion (CF) suppression on medium-mass target nucleus 96Zr different from about 35% suppression on heavier target nucleus 154Sm at near-barrier energies. It seems that the CF suppression factor depends on the charge of target nuclei. We also observed one neutron transfer process. However, the experimental data are scarce for medium-mass target nuclei. In order to have a proper understanding of the influence of breakup and transfer of weakly bound projectiles on the fusion process, we performed the 6Li+89Y experiment with incident energies of 22 MeV and 34 MeV on Galileo array in cooperation with Si-ball EUCLIDES at Legnaro National Laboratory (LNL) in Italy. Using particle-particle and particle-γ coincidences, the different reaction mechanisms can be clearly explored.

A Geometric and Electrostatic Study of the [4Fe-4S] Cluster of Adenosine-5´-Phosphosulfate Reductase from Broken Symmetry Density Functional Calculations and Extended X-ray Absorption Fine Structure Spectroscopy

PubMed Central

Bhave, Devayani P.; Han, Wen-Ge; Pazicni, Samuel; Penner-Hahn, James E.; Carroll, Kate S.; Noodleman, Louis

2011-01-01

Adenosine-5’-phosphosulfate reductase (APSR) is an iron-sulfur protein that catalyses the reduction of adenosine-5’-phosphosulfate (APS) to sulfite. APSR coordinates to a [4Fe-4S] cluster via a conserved CC-X~80-CXXC motif and the cluster is essential for catalysis. Despite extensive functional, structural and spectroscopic studies, the exact role of the iron-sulfur cluster in APS reduction remains unknown. To gain an understanding into the role of the cluster, density functional theory (DFT) analysis and extended X-ray fine structure spectroscopy (EXAFS) have been performed to reveal insights into the coordination, geometry and electrostatics of the [4Fe-4S] cluster. XANES data confirms that the cluster is in the [4Fe-4S]2+ state in both native and substrate-bound APSR while EXAFS data recorded at ~0.1 Å resolution indicates that there is no significant change in the structure of the [4Fe-4S] cluster between the native and substrate-bound forms of the protein. On the other hand, DFT calculations provide an insight into the subtle differences between the geometry of the cluster in the native and APS-bound forms of APSR. A comparison between models with and without the tandem cysteine pair coordination of the cluster suggests a role for the unique coordination in facilitating a compact geometric structure and ‘fine-tuning’ the electronic structure to prevent reduction of the cluster. Further, calculations using models in which residue Lys144 is mutated to Ala confirm the finding that Lys144 serves as a crucial link in the interactions involving the [4Fe-4S] cluster and APS. PMID:21678934

Hubble Takes Flight with the Toucan and the Cluster

NASA Image and Video Library

2017-12-08

It may be famous for hosting spectacular sights such as the Tucana Dwarf Galaxy and 47 Tucanae (heic1510), the second brightest globular cluster in the night sky, but the southern constellation of Tucana (The Toucan) also possesses a variety of unsung cosmic beauties. One such beauty is NGC 299, an open star cluster located within the Small Magellanic Cloud just under 200,000 light-years away. Open clusters such as this are collections of stars weakly bound by the shackles of gravity, all of which formed from the same massive molecular cloud of gas and dust. Because of this, all the stars have the same age and composition, but vary in their mass because they formed at different positions within the cloud. This unique property not only ensures a spectacular sight when viewed through a sophisticated instrument attached to a telescope such as Hubble’s Advanced Camera for Surveys, but gives astronomers a cosmic laboratory in which to study the formation and evolution of stars — a process that is thought to depend strongly on a star’s mass. Credit: ESA/Hubble & NASA NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

Initial Dynamical Evolution of Star Clusters with Tidal Field

NASA Astrophysics Data System (ADS)

Park, So-Myoung; Goodwin, Simon P.; Kim, Sungsoo S.

2017-03-01

Observations have been suggested that star clusters could form from the rapid collapse and violent relaxation of substructured distributions. We investigate the collapse of fractal stellar distributions in no, weak, and very strong tidal fields. We find that the rapid collapse of substructure into spherical clusters happens quickly with no or a weak tidal field, but very strong tidal fields prevent a cluster forming. However, we also find that dense Plummer spheres are also rapidly destroyed in strong tidal fields. We suggest that this is why the low-mass star clusters cannot survive near the galactic centre which has strong tidal field.

Inclusive Breakup Theory of Three-Body Halos

NASA Astrophysics Data System (ADS)

Hussein, Mahir S.; Souza, Lucas A.; Chimanski, Emanuel; Carlson, Brett; Frederico, Tobias

2017-11-01

We present a recently developed theory for the inclusive breakup of three-fragment projectiles within a four-body spectator model [1], for the treatment of the elastic and inclusive non-elastic break up reactions involving weakly bound three-cluster nuclei in A (a; b) X / a = x1 + x2 + b collisions. The four-body theory is an extension of the three-body approaches developed in the 80's by Ichimura, Autern and Vincent (IAV) [2], Udagawa and Tamura (UT) [3] and Hussein and McVoy (HM) [4]. We expect that experimentalists shall be encouraged to search for more information about the x1 + x2 system in the elastic breakup cross section and that also further developments and extensions of the surrogate method will be pursued, based on the inclusive non-elastic breakup part of the b spectrum.

Testing violation of the Leggett-Garg-type inequality in neutrino oscillations of the Daya Bay experiment

NASA Astrophysics Data System (ADS)

Fu, Qiang; Chen, Xurong

2017-11-01

The Leggett-Garg inequality (LGI), derived under the assumption of realism, acts as the temporal Bell inequality. It is studied in electromagnetic and strong interaction like photonics, superconducting qubits and nuclear spin. The weak interaction two-state oscillations of neutrinos affirmed the violation of Leggett-Garg-type inequalities (LGtI). We make an empirical test for the deviation of experimental results with the classical limits by analyzing the survival probability data of reactor neutrinos at a distinct range of baseline dividing energies, as an analog to a single neutrino detected at different times. A study of the updated data of the Daya Bay experiment unambiguously depicts an obvious cluster of data over the classical bound of LGtI and shows a 6.1σ significance of the violation of them.

X-Ray Temperatures, Luminosities, and Masses from XMM-Newton Follow-up of the First Shear-selected Galaxy Cluster Sample

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

Deshpande, Amruta J.; Hughes, John P.; Wittman, David, E-mail: amrejd@physics.rutgers.edu, E-mail: jph@physics.rutgers.edu, E-mail: dwittman@physics.ucdavis.edu

We continue the study of the first sample of shear-selected clusters from the initial 8.6 square degrees of the Deep Lens Survey (DLS); a sample with well-defined selection criteria corresponding to the highest ranked shear peaks in the survey area. We aim to characterize the weak lensing selection by examining the sample’s X-ray properties. There are multiple X-ray clusters associated with nearly all the shear peaks: 14 X-ray clusters corresponding to seven DLS shear peaks. An additional three X-ray clusters cannot be definitively associated with shear peaks, mainly due to large positional offsets between the X-ray centroid and the shearmore » peak. Here we report on the XMM-Newton properties of the 17 X-ray clusters. The X-ray clusters display a wide range of luminosities and temperatures; the L {sub X} − T {sub X} relation we determine for the shear-associated X-ray clusters is consistent with X-ray cluster samples selected without regard to dynamical state, while it is inconsistent with self-similarity. For a subset of the sample, we measure X-ray masses using temperature as a proxy, and compare to weak lensing masses determined by the DLS team. The resulting mass comparison is consistent with equality. The X-ray and weak lensing masses show considerable intrinsic scatter (∼48%), which is consistent with X-ray selected samples when their X-ray and weak lensing masses are independently determined.« less

Dynamics at Lys-553 of the acto-myosin interface in the weakly and strongly bound states.

PubMed Central

MacLean, J J; Chrin, L R; Berger, C L

2000-01-01

Lys-553 of skeletal muscle myosin subfragment 1 (S1) was specifically labeled with the fluorescent probe FHS (6-[fluorescein-5(and 6)-carboxamido]hexanoic acid succinimidyl ester) and fluorescence quenching experiments were carried out to determine the accessibility of this probe at Lys-553 in both the strongly and weakly actin-bound states of the MgATPase cycle. Solvent quenchers of varying charge [nitromethane, (2,2,6, 6-tetramethyl-1-piperinyloxy) (TEMPO), iodide (I(-)), and thallium (Tl(+))] were used to assess both the steric and electrostatic accessibilities of the FHS probe at Lys-553. In the strongly bound rigor (nucleotide-free) and MgADP states, actin offered no protection from solvent quenching of FHS by nitromethane, TEMPO, or thallium, but did decrease the Stern-Volmer constant by almost a factor of two when iodide was used as the quencher. The protection from iodide quenching was almost fully reversed with the addition of 150 mM KCl, suggesting this effect is ionic in nature rather than steric. Conversely, actin offered no protection from iodide quenching at low ionic strength during steady-state ATP hydrolysis, even with a significant fraction of the myosin heads bound to actin. Thus, the lower 50 kD subdomain of myosin containing Lys-553 appears to interact differently with actin in the weakly and strongly bound states. PMID:10692329

The mitochondrial Hsp70 chaperone Ssq1 facilitates Fe/S cluster transfer from Isu1 to Grx5 by complex formation.

PubMed

Uzarska, Marta A; Dutkiewicz, Rafal; Freibert, Sven-Andreas; Lill, Roland; Mühlenhoff, Ulrich

2013-06-01

The mitochondrial Hsp70 chaperone Ssq1 plays a dedicated role in the maturation of iron-sulfur (Fe/S) proteins, an essential process of mitochondria. Similar to its bacterial orthologue HscA, Ssq1 binds to the scaffold protein Isu1, thereby facilitating dissociation of the newly synthesized Fe/S cluster on Isu1 and its transfer to target apoproteins. Here we use in vivo and in vitro approaches to show that Ssq1 also interacts with the monothiol glutaredoxin 5 (Grx5) at a binding site different from that of Isu1. Grx5 binding does not stimulate the ATPase activity of Ssq1 and is most pronounced for the ADP-bound form of Ssq1, which interacts with Isu1 most tightly. The vicinity of Isu1 and Grx5 on the Hsp70 chaperone facilitates rapid Fe/S cluster transfer from Isu1 to Grx5. Grx5 and its bound Fe/S cluster are required for maturation of all cellular Fe/S proteins, regardless of the type of bound Fe/S cofactor and subcellular localization. Hence Grx5 functions as a late-acting component of the core Fe/S cluster (ISC) assembly machinery linking the Fe/S cluster synthesis reaction on Isu1 with late assembly steps involving Fe/S cluster targeting to dedicated apoproteins.

Mapping the interactions of the single-stranded DNA binding protein of bacteriophage T4 (gp32) with DNA lattices at single nucleotide resolution: polynucleotide binding and cooperativity

PubMed Central

Jose, Davis; Weitzel, Steven E.; Baase, Walter A.; Michael, Miya M.; von Hippel, Peter H.

2015-01-01

We here use our site-specific base analog mapping approach to study the interactions and binding equilibria of cooperatively-bound clusters of the single-stranded DNA binding protein (gp32) of the T4 DNA replication complex with longer ssDNA (and dsDNA) lattices. We show that in cooperatively bound clusters the binding free energy appears to be equi-partitioned between the gp32 monomers of the cluster, so that all bind to the ssDNA lattice with comparable affinity, but also that the outer domains of the gp32 monomers at the ends of the cluster can fluctuate on and off the lattice and that the clusters of gp32 monomers can slide along the ssDNA. We also show that at very low binding densities gp32 monomers bind to the ssDNA lattice at random, but that cooperatively bound gp32 clusters bind preferentially at the 5′-end of the ssDNA lattice. We use these results and the gp32 monomer-binding results of the companion paper to propose a detailed model for how gp32 might bind to and interact with ssDNA lattices in its various binding modes, and also consider how these clusters might interact with other components of the T4 DNA replication complex. PMID:26275774

Selection of different reaction channels in 6Li induced fusion reaction by a powerful combination of a charged particle array and a high-resolution gamma spectrometer

NASA Astrophysics Data System (ADS)

Zhang, G. X.; Hu, S. P.; Zhang, G. L.; Zhang, H. Q.; Yao, Y. J.; Huang, Z.; Wang, M. L.; Sun, H. B.; Valiente-Dobòn, J. J.; Testov, D.; Goasduff, A.; John, P. R.; Siciliano, M.; Galtarosa, F.; Francesco, R.; Mengoni, D.; Bazzacco, D.; Li, E. T.; Hao, X.

2018-05-01

Investigation of the breakup and transfer effect of weakly bound nuclei on the fusion process has been an interesting research topic in the past several years. In comparison with radioactive ion beam (RIB), the beam intensities of stable weakly bound nuclei such as 6,7Li and 9Be, which have significant breakup probability, are orders of magnitude higher. Precise fusion measurements induced by these nuclei have already been performed. However, the conclusion of reaction dynamics was not clear and has contradiction. In order to have a proper understanding of the influence of breakup and transfer of weakly bound projectiles on the fusion process, the 6Li+89Y experiment with incident energies of 22 MeV and 34 MeV was performed on Galileo array in combination with Si-ball EUCLIDES at Legnaro National Laboratory (LNL) in Italy. Using the coincidence by the charged particles and γ-rays, the different reaction channels can be clearly identified.

Ion collision-induced chemistry in pure and mixed loosely bound clusters of coronene and C60 molecules.

PubMed

Domaracka, Alicja; Delaunay, Rudy; Mika, Arkadiusz; Gatchell, Michael; Zettergren, Henning; Cederquist, Henrik; Rousseau, Patrick; Huber, Bernd A

2018-05-23

Ionization, fragmentation and molecular growth have been studied in collisions of 22.5 keV He2+- or 3 keV Ar+-projectiles with pure loosely bound clusters of coronene (C24H12) molecules or with loosely bound mixed C60-C24H12 clusters by using mass spectrometry. The heavier and slower Ar+ projectiles induce prompt knockout-fragmentation - C- and/or H-losses - from individual molecules and highly efficient secondary molecular growth reactions before the clusters disintegrate on picosecond timescales. The lighter and faster He2+ projectiles have a higher charge and the main reactions are then ionization by ions that are not penetrating the clusters. This leads mostly to cluster fragmentation without molecular growth. However, here penetrating collisions may also lead to molecular growth but to a much smaller extent than with 3 keV Ar+. Here we present fragmentation and molecular growth mass distributions with 1 mass unit resolution, which reveals that the same numbers of C- and H-atoms often participate in the formation and breaking of covalent bonds inside the clusters. We find that masses close to those with integer numbers of intact coronene molecules, or with integer numbers of both intact coronene and C60 molecules, are formed where often one or several H-atoms are missing or have been added on. We also find that super-hydrogenated coronene is formed inside the clusters.

Broadband Microwave Spectroscopy as a Tool to Study Dispersion Interactions in Camphor-Alcohol Systems

NASA Astrophysics Data System (ADS)

Fatima, Mariyam; Perez, Cristobal; Schnell, Melanie

2016-06-01

Many biological processes such as chemical recognition and protein folding are mainly controlled by the interplay between hydrogen bonds and dispersive forces. Broadband rotational spectroscopy studies of weakly bound complexes are able to accurately reveal the structures and internal dynamics of molecular clusters isolated in the gas phase. To investigate the influence of the interplay between different types of weak intermolecular interactions and how it controls the preferred active sites of an amphiphilic molecule, we are using camphor (C10H16O, 1,7,7-trimethylbicyclo[2.2.1]hepta-2-one) with different aliphatic alcohol systems. Camphor is a conformationally rigid bicyclic molecule endowed with considerable steric hindrance and has a single polar group (-C=O). The rotational spectrum of camphor and its structure has been previously reported [1] as well as multiple clusters with water [2]. In order to determine the structure of the camphor-alcohol complexes, we targeted low energy rotational transitions in the 2-8 GHz range under the isolated conditions of a molecular jet in the gas phase. The data obtained suggests that camphor forms one complex with methanol and two with ethanol, with differences in the intermolecular interaction in both complexes. With these results, we aim to study the shift in intermolecular interaction from hydrogen bonding to dispersion with the increase in the size of the aliphatic alcohol. [1] Z. Kisiel, et al., Phys. Chem. Chem. Phys., 5 (2003), 820-826. [2] C. Pérez, et al, J. Phys. Chem. Lett., 7 (2016), 154-160.

Using an innovative multiple regression procedure in a cancer population (Part 1): detecting and probing relationships of common interacting symptoms (pain, fatigue/weakness, sleep problems) as a strategy to discover influential symptom pairs and clusters

PubMed Central

Francoeur, Richard B

2015-01-01

Background The majority of patients with advanced cancer experience symptom pairs or clusters among pain, fatigue, and insomnia. Improved methods are needed to detect and interpret interactions among symptoms or diesease markers to reveal influential pairs or clusters. In prior work, I developed and validated sequential residual centering (SRC), a method that improves the sensitivity of multiple regression to detect interactions among predictors, by conditioning for multicollinearity (shared variation) among interactions and component predictors. Materials and methods Using a hypothetical three-way interaction among pain, fatigue, and sleep to predict depressive affect, I derive and explain SRC multiple regression. Subsequently, I estimate raw and SRC multiple regressions using real data for these symptoms from 268 palliative radiation outpatients. Results Unlike raw regression, SRC reveals that the three-way interaction (pain × fatigue/weakness × sleep problems) is statistically significant. In follow-up analyses, the relationship between pain and depressive affect is aggravated (magnified) within two partial ranges: 1) complete-to-some control over fatigue/weakness when there is complete control over sleep problems (ie, a subset of the pain–fatigue/weakness symptom pair), and 2) no control over fatigue/weakness when there is some-to-no control over sleep problems (ie, a subset of the pain–fatigue/weakness–sleep problems symptom cluster). Otherwise, the relationship weakens (buffering) as control over fatigue/weakness or sleep problems diminishes. Conclusion By reducing the standard error, SRC unmasks a three-way interaction comprising a symptom pair and cluster. Low-to-moderate levels of the moderator variable for fatigue/weakness magnify the relationship between pain and depressive affect. However, when the comoderator variable for sleep problems accompanies fatigue/weakness, only frequent or unrelenting levels of both symptoms magnify the relationship. These findings suggest that a countervailing mechanism involving depressive affect could account for the effectiveness of a cognitive behavioral intervention to reduce the severity of a pain, fatigue, and sleep disturbance cluster in a previous randomized trial. PMID:25565865

Systematic continuum-discretized coupled-channels calculations of total fusion for 6Li with targets 28Si, 59Co, 96Zr, 198Pt, and 209Bi: Effect of resonance states

NASA Astrophysics Data System (ADS)

Gómez Camacho, A.; Wang, Bing; Zhang, H. Q.

2018-05-01

Continuum discretized coupled-channel (CDCC) calculations of total fusion cross sections for reactions induced by the weakly bound nucleus 6Li with targets 28Si, 59Co, 96Zr, 198Pt, and 209Bi at energies around the Coulomb barrier are presented. In the cluster structure frame of 6Li→α +d , short-range absorption potentials are considered for the interactions between the α and d fragments with the targets. The effect of resonance (l =2 , Jπ=3+,2+,1+ ) and nonresonance states of 6Li on fusion is studied by using two approaches: (1) by omitting the resonance states from the full discretized CDCC breakup space and (2) by considering only the resonance subspace. A systematic analysis of the effect on fusion from resonance breakup couplings is carried out from light to heavy mass targets. Among other things, it is found that resonance breakup states produce strong repulsive polarization potentials that lead to fusion suppression. Couplings from nonresonance states give place to weak repulsive potentials at high energies; however, these become attractive for the heavier targets at low energies.

Near optimal pentamodes as a tool for guiding stress while minimizing compliance in 3d-printed materials: A complete solution to the weak G-closure problem for 3d-printed materials

NASA Astrophysics Data System (ADS)

Milton, Graeme W.; Camar-Eddine, Mohamed

2018-05-01

For a composite containing one isotropic elastic material, with positive Lame moduli, and void, with the elastic material occupying a prescribed volume fraction f, and with the composite being subject to an average stress, σ0 , Gibiansky, Cherkaev, and Allaire provided a sharp lower bound Wf(σ0) on the minimum compliance energy σ0 :ɛ0 , in which ɛ0 is the average strain. Here we show these bounds also provide sharp bounds on the possible (σ0 ,ɛ0) -pairs that can coexist in such composites, and thus solve the weak G-closure problem for 3d-printed materials. The materials we use to achieve the extremal (σ0 ,ɛ0) -pairs are denoted as near optimal pentamodes. We also consider two-phase composites containing this isotropic elasticity material and a rigid phase with the elastic material occupying a prescribed volume fraction f, and with the composite being subject to an average strain, ɛ0. For such composites, Allaire and Kohn provided a sharp lower bound W˜f(ɛ0) on the minimum elastic energy σ0 :ɛ0 . We show that these bounds also provide sharp bounds on the possible (σ0 ,ɛ0) -pairs that can coexist in such composites of the elastic and rigid phases, and thus solve the weak G-closure problem in this case too. The materials we use to achieve these extremal (σ0 ,ɛ0) -pairs are denoted as near optimal unimodes.

Study of weak solutions for parabolic variational inequalities with nonstandard growth conditions.

PubMed

Dong, Yan

2018-01-01

In this paper, we study the degenerate parabolic variational inequality problem in a bounded domain. First, the weak solutions of the variational inequality are defined. Second, the existence and uniqueness of the solutions in the weak sense are proved by using the penalty method and the reduction method.

Antibody-gold cluster conjugates

DOEpatents

Hainfeld, J.F.

1988-06-28

Antibody- or antibody fragment-gold cluster conjugates are shown wherein the conjugate size can be about 5.0 nm. Methods and reagents are disclosed in which antibodies or Fab' fragments thereof are covalently bound to a stable cluster of gold atoms. 2 figs.

Sensing Size through Clustering in Non-Equilibrium Membranes and the Control of Membrane-Bound Enzymatic Reactions

PubMed Central

Vagne, Quentin; Turner, Matthew S.; Sens, Pierre

2015-01-01

The formation of dynamical clusters of proteins is ubiquitous in cellular membranes and is in part regulated by the recycling of membrane components. We show, using stochastic simulations and analytic modeling, that the out-of-equilibrium cluster size distribution of membrane components undergoing continuous recycling is strongly influenced by lateral confinement. This result has significant implications for the clustering of plasma membrane proteins whose mobility is hindered by cytoskeletal “corrals” and for protein clustering in cellular organelles of limited size that generically support material fluxes. We show how the confinement size can be sensed through its effect on the size distribution of clusters of membrane heterogeneities and propose that this could be regulated to control the efficiency of membrane-bound reactions. To illustrate this, we study a chain of enzymatic reactions sensitive to membrane protein clustering. The reaction efficiency is found to be a non-monotonic function of the system size, and can be optimal for sizes comparable to those of cellular organelles. PMID:26656912

Cation Binding to Xanthorhodopsin: Electron Paramagnetic Resonance and Magnetic Studies.

PubMed

Smolensky Koganov, Elena; Leitus, Gregory; Rozin, Rinat; Weiner, Lev; Friedman, Noga; Sheves, Mordechai

2017-05-04

Xanthorhodopsin (xR) is a member of the retinal protein family and acts as a proton pump in the cell membranes of the extremely halophilic eubacterium Salinibacter ruber. In addition to the retinal chromophore, xR contains a carotenoid, which acts as a light-harvesting antenna as it transfers 40% of the quanta it absorbs to the retinal. Our previous studies have shown that the CD and absorption spectra of xR are dramatically affected due to the protonation of two different residues. It is still unclear whether xR can bind cations. Electron paramagnetic resonance (EPR) spectroscopy used in the present study revealed that xR can bind divalent cations, such as Mn 2+ and Ca 2+ , to deionized xR (DI-xR). We also demonstrate that xR can bind 1 equiv of Mn 2+ to a high-affinity binding site followed by binding of ∼40 equiv in cooperative manner and ∼100 equiv of Mn 2+ that are weakly bound. SQUID magnetic studies suggest that the high cooperative binding of Mn 2+ cations to xR is due to the formation of Mn 2+ clusters. Our data demonstrate that Ca 2+ cations bind to DI-xR with a lower affinity than Mn 2+ , supporting the assumption that binding of Mn 2+ occurs through cluster formation, because Ca 2+ cations cannot form clusters in contrast to Mn 2+ .

Percolation bounds for decoding thresholds with correlated erasures in quantum LDPC codes

NASA Astrophysics Data System (ADS)

Hamilton, Kathleen; Pryadko, Leonid

Correlations between errors can dramatically affect decoding thresholds, in some cases eliminating the threshold altogether. We analyze the existence of a threshold for quantum low-density parity-check (LDPC) codes in the case of correlated erasures. When erasures are positively correlated, the corresponding multi-variate Bernoulli distribution can be modeled in terms of cluster errors, where qubits in clusters of various size can be marked all at once. In a code family with distance scaling as a power law of the code length, erasures can be always corrected below percolation on a qubit adjacency graph associated with the code. We bound this correlated percolation transition by weighted (uncorrelated) percolation on a specially constructed cluster connectivity graph, and apply our recent results to construct several bounds for the latter. This research was supported in part by the NSF Grant PHY-1416578 and by the ARO Grant W911NF-14-1-0272.

Mass and galaxy distributions of four massive galaxy clusters from Dark Energy Survey Science Verification data

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

Melchior, P.; Suchyta, E.; Huff, E.

2015-03-31

We measure the weak-lensing masses and galaxy distributions of four massive galaxy clusters observed during the Science Verification phase of the Dark Energy Survey. This pathfinder study is meant to 1) validate the DECam imager for the task of measuring weak-lensing shapes, and 2) utilize DECam's large field of view to map out the clusters and their environments over 90 arcmin. We conduct a series of rigorous tests on astrometry, photometry, image quality, PSF modeling, and shear measurement accuracy to single out flaws in the data and also to identify the optimal data processing steps and parameters. We find Sciencemore » Verification data from DECam to be suitable for the lensing analysis described in this paper. The PSF is generally well-behaved, but the modeling is rendered difficult by a flux-dependent PSF width and ellipticity. We employ photometric redshifts to distinguish between foreground and background galaxies, and a red-sequence cluster finder to provide cluster richness estimates and cluster-galaxy distributions. By fitting NFW profiles to the clusters in this study, we determine weak-lensing masses that are in agreement with previous work. For Abell 3261, we provide the first estimates of redshift, weak-lensing mass, and richness. In addition, the cluster-galaxy distributions indicate the presence of filamentary structures attached to 1E 0657-56 and RXC J2248.7-4431, stretching out as far as 1 degree (approximately 20 Mpc), showcasing the potential of DECam and DES for detailed studies of degree-scale features on the sky.« less

Mass and galaxy distributions of four massive galaxy clusters from Dark Energy Survey Science Verification data

DOE PAGES

Melchior, P.; Suchyta, E.; Huff, E.; ...

2015-03-31

We measure the weak-lensing masses and galaxy distributions of four massive galaxy clusters observed during the Science Verification phase of the Dark Energy Survey. This pathfinder study is meant to 1) validate the DECam imager for the task of measuring weak-lensing shapes, and 2) utilize DECam's large field of view to map out the clusters and their environments over 90 arcmin. We conduct a series of rigorous tests on astrometry, photometry, image quality, PSF modelling, and shear measurement accuracy to single out flaws in the data and also to identify the optimal data processing steps and parameters. We find Sciencemore » Verification data from DECam to be suitable for the lensing analysis described in this paper. The PSF is generally well-behaved, but the modelling is rendered difficult by a flux-dependent PSF width and ellipticity. We employ photometric redshifts to distinguish between foreground and background galaxies, and a red-sequence cluster finder to provide cluster richness estimates and cluster-galaxy distributions. By fitting NFW profiles to the clusters in this study, we determine weak-lensing masses that are in agreement with previous work. For Abell 3261, we provide the first estimates of redshift, weak-lensing mass, and richness. Additionally, the cluster-galaxy distributions indicate the presence of filamentary structures attached to 1E 0657-56 and RXC J2248.7-4431, stretching out as far as 1degree (approximately 20 Mpc), showcasing the potential of DECam and DES for detailed studies of degree-scale features on the sky.« less

Corepressive interaction and clustering of degrade-and-fire oscillators

PubMed Central

Fernandez, Bastien; Tsimring, Lev S.

2016-01-01

Strongly nonlinear degrade-and-fire (DF) oscillations may emerge in genetic circuits having a delayed negative feedback loop as their core element. Here we study the synchronization of DF oscillators coupled through a common repressor field. For weak coupling, initially distinct oscillators remain desynchronized. For stronger coupling, oscillators can be forced to wait in the repressed state until the global repressor field is sufficiently degraded, and then they fire simultaneously forming a synchronized cluster. Our analytical theory provides necessary and sufficient conditions for clustering and specifies the maximum number of clusters that can be formed in the asymptotic regime. We find that in the thermodynamic limit a phase transition occurs at a certain coupling strength from the weakly clustered regime with only microscopic clusters to a strongly clustered regime where at least one giant cluster has to be present. PMID:22181453

X-Ray Temperatures, Luminosities, and Masses from XMM-Newton Follow-upof the First Shear-selected Galaxy Cluster Sample

NASA Astrophysics Data System (ADS)

Deshpande, Amruta J.; Hughes, John P.; Wittman, David

2017-04-01

We continue the study of the first sample of shear-selected clusters from the initial 8.6 square degrees of the Deep Lens Survey (DLS); a sample with well-defined selection criteria corresponding to the highest ranked shear peaks in the survey area. We aim to characterize the weak lensing selection by examining the sample’s X-ray properties. There are multiple X-ray clusters associated with nearly all the shear peaks: 14 X-ray clusters corresponding to seven DLS shear peaks. An additional three X-ray clusters cannot be definitively associated with shear peaks, mainly due to large positional offsets between the X-ray centroid and the shear peak. Here we report on the XMM-Newton properties of the 17 X-ray clusters. The X-ray clusters display a wide range of luminosities and temperatures; the L X -T X relation we determine for the shear-associated X-ray clusters is consistent with X-ray cluster samples selected without regard to dynamical state, while it is inconsistent with self-similarity. For a subset of the sample, we measure X-ray masses using temperature as a proxy, and compare to weak lensing masses determined by the DLS team. The resulting mass comparison is consistent with equality. The X-ray and weak lensing masses show considerable intrinsic scatter (˜48%), which is consistent with X-ray selected samples when their X-ray and weak lensing masses are independently determined. Some of the data presented herein were obtained at the W.M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California, and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W. M. Keck Foundation.

Multipolar moments of weak lensing signal around clusters. Weighing filaments in harmonic space

NASA Astrophysics Data System (ADS)

Gouin, C.; Gavazzi, R.; Codis, S.; Pichon, C.; Peirani, S.; Dubois, Y.

2017-09-01

Context. Upcoming weak lensing surveys such as Euclid will provide an unprecedented opportunity to quantify the geometry and topology of the cosmic web, in particular in the vicinity of lensing clusters. Aims: Understanding the connectivity of the cosmic web with unbiased mass tracers, such as weak lensing, is of prime importance to probe the underlying cosmology, seek dynamical signatures of dark matter, and quantify environmental effects on galaxy formation. Methods: Mock catalogues of galaxy clusters are extracted from the N-body PLUS simulation. For each cluster, the aperture multipolar moments of the convergence are calculated in two annuli (inside and outside the virial radius). By stacking their modulus, a statistical estimator is built to characterise the angular mass distribution around clusters. The moments are compared to predictions from perturbation theory and spherical collapse. Results: The main weakly chromatic excess of multipolar power on large scales is understood as arising from the contraction of the primordial cosmic web driven by the growing potential well of the cluster. Besides this boost, the quadrupole prevails in the cluster (ellipsoidal) core, while at the outskirts, harmonic distortions are spread on small angular modes, and trace the non-linear sharpening of the filamentary structures. Predictions for the signal amplitude as a function of the cluster-centric distance, mass, and redshift are presented. The prospects of measuring this signal are estimated for current and future lensing data sets. Conclusions: The Euclid mission should provide all the necessary information for studying the cosmic evolution of the connectivity of the cosmic web around lensing clusters using multipolar moments and probing unique signatures of, for example, baryons and warm dark matter.

Global low-energy weak solution and large-time behavior for the compressible flow of liquid crystals

NASA Astrophysics Data System (ADS)

Wu, Guochun; Tan, Zhong

2018-06-01

In this paper, we consider the weak solution of the simplified Ericksen-Leslie system modeling compressible nematic liquid crystal flows in R3. When the initial data are of small energy and initial density is positive and essentially bounded, we prove the existence of a global weak solution in R3. The large-time behavior of a global weak solution is also established.

Optical study of the DAFT/FADA galaxy cluster survey

NASA Astrophysics Data System (ADS)

Martinet, N.; Durret, F.; Clowe, D.; Adami, C.

2013-11-01

DAFT/FADA (Dark energy American French Team) is a large survey of ˜90 high redshift (0.42×10^{14} M_{⊙}) clusters with HST weak lensing oriented data, plus BVRIZJ 4m ground based follow up to compute photometric redshifts. The main goals of this survey are to constrain dark energy parameters using weak lensing tomography and to study a large homogeneous sample of high redshift massive clusters. We will briefly review the latest results of this optical survey, focusing on two ongoing works: the calculation of galaxy luminosity functions from photometric redshift catalogs and the weak lensing analysis of ground based data.

An investigation about the structures, thermodynamics and kinetics of the formic acid involved molecular clusters

NASA Astrophysics Data System (ADS)

Zhang, Rui; Jiang, Shuai; Liu, Yi-Rong; Wen, Hui; Feng, Ya-Juan; Huang, Teng; Huang, Wei

2018-05-01

Despite the very important role of atmospheric aerosol nucleation in climate change and air quality, the detailed aerosol nucleation mechanism is still unclear. Here we investigated the formic acid (FA) involved multicomponent nucleation molecular clusters including sulfuric acid (SA), dimethylamine (DMA) and water (W) through a quantum chemical method. The thermodynamics and kinetics analysis was based on the global minima given by Basin-Hopping (BH) algorithm coupled with Density Functional Theory (DFT) and subsequent benchmarked calculations. Then the interaction analysis based on ElectroStatic Potential (ESP), Topological and Atomic Charges analysis was made to characterize the binding features of the clusters. The results show that FA binds weakly with the other molecules in the cluster while W binds more weakly. Further kinetic analysis about the time evolution of the clusters show that even though the formic acid's weak interaction with other nucleation precursors, its effect on sulfuric acid dimer steady state concentration cannot be neglected due to its high concentration in the atmosphere.

Existence of global weak solution for a reduced gravity two and a half layer model

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

Guo, Zhenhua, E-mail: zhenhua.guo.math@gmail.com; Li, Zilai, E-mail: lizilai0917@163.com; Yao, Lei, E-mail: yaolei1056@hotmail.com

2013-12-15

We investigate the existence of global weak solution to a reduced gravity two and a half layer model in one-dimensional bounded spatial domain or periodic domain. Also, we show that any possible vacuum state has to vanish within finite time, then the weak solution becomes a unique strong one.

NsrR from Streptomyces coelicolor Is a Nitric Oxide-sensing [4Fe-4S] Cluster Protein with a Specialized Regulatory Function*

PubMed Central

Crack, Jason C.; Munnoch, John; Dodd, Erin L.; Knowles, Felicity; Al Bassam, Mahmoud M.; Kamali, Saeed; Holland, Ashley A.; Cramer, Stephen P.; Hamilton, Chris J.; Johnson, Michael K.; Thomson, Andrew J.; Hutchings, Matthew I.; Le Brun, Nick E.

2015-01-01

The Rrf2 family transcription factor NsrR controls expression of genes in a wide range of bacteria in response to nitric oxide (NO). The precise form of the NO-sensing module of NsrR is the subject of controversy because NsrR proteins containing either [2Fe-2S] or [4Fe-4S] clusters have been observed previously. Optical, Mössbauer, resonance Raman spectroscopies and native mass spectrometry demonstrate that Streptomyces coelicolor NsrR (ScNsrR), previously reported to contain a [2Fe-2S] cluster, can be isolated containing a [4Fe-4S] cluster. ChIP-seq experiments indicated that the ScNsrR regulon is small, consisting of only hmpA1, hmpA2, and nsrR itself. The hmpA genes encode NO-detoxifying flavohemoglobins, indicating that ScNsrR has a specialized regulatory function focused on NO detoxification and is not a global regulator like some NsrR orthologues. EMSAs and DNase I footprinting showed that the [4Fe-4S] form of ScNsrR binds specifically and tightly to an 11-bp inverted repeat sequence in the promoter regions of the identified target genes and that DNA binding is abolished following reaction with NO. Resonance Raman data were consistent with cluster coordination by three Cys residues and one oxygen-containing residue, and analysis of ScNsrR variants suggested that highly conserved Glu-85 may be the fourth ligand. Finally, we demonstrate that some low molecular weight thiols, but importantly not physiologically relevant thiols, such as cysteine and an analogue of mycothiol, bind weakly to the [4Fe-4S] cluster, and exposure of this bound form to O2 results in cluster conversion to the [2Fe-2S] form, which does not bind to DNA. These data help to account for the observation of [2Fe-2S] forms of NsrR. PMID:25771538

A new div-curl result. Applications to the homogenization of elliptic systems and to the weak continuity of the Jacobian

NASA Astrophysics Data System (ADS)

Briane, M.; Casado Díaz, J.

2016-04-01

In this paper a new div-curl result is established in an open set Ω of RN, N ≥ 2, for the product σn ṡηn of two sequences of vector-valued functions σn, ηn such that σn is bounded in Lp(Ω)N, ηn is bounded in Lq(Ω)N, with 1 / p + 1 / q = 1 + 1 / (N - 1), and such that divσn, curlηn are compact in suitable spaces. The new assumption is that the product converges weakly in W - 1 , 1 (Ω). The approach is also new in the topic, and is based on a compactness result for bounded sequences in W 1 , q (Ω) through a suitable selection of annuli on which the gradients are not too high, in the spirit of [26,32] and using the imbedding of W 1 , q into Lp‧ for the unit sphere of RN. The div-curl result is applied to the homogenization of equi-coercive systems whose coefficients are equi-bounded in Lρ (Ω) for some ρ >N-1/2 if N > 2, or in L1 (Ω) if N = 2. It also allows us to prove a weak continuity result for the Jacobian for bounded sequences in W 1 , N - 1 (Ω) satisfying an alternative assumption to the L∞-strong estimate of [8]. Two examples show the sharpness of the results.

How actin binds and assembles onto plasma membranes from Dictyostelium discoideum

PubMed Central

1988-01-01

We have shown previously (Schwartz, M. A., and E. J. Luna. 1986. J. Cell Biol. 102: 2067-2075) that actin binds with positive cooperativity to plasma membranes from Dictyostelium discoideum. Actin is polymerized at the membrane surface even at concentrations well below the critical concentration for polymerization in solution. Low salt buffer that blocks actin polymerization in solution also prevents actin binding to membranes. To further explore the relationship between actin polymerization and binding to membranes, we prepared four chemically modified actins that appear to be incapable of polymerizing in solution. Three of these derivatives also lost their ability to bind to membranes. The fourth derivative (EF actin), in which histidine-40 is labeled with ethoxyformic anhydride, binds to membranes with reduced affinity. Binding curves exhibit positive cooperativity, and cross- linking experiments show that membrane-bound actin is multimeric. Thus, binding and polymerization are tightly coupled, and the ability of these membranes to polymerize actin is dramatically demonstrated. EF actin coassembles weakly with untreated actin in solution, but coassembles well on membranes. Binding by untreated actin and EF actin are mutually competitive, indicating that they bind to the same membrane sites. Hill plots indicate that an actin trimer is the minimum assembly state required for tight binding to membranes. The best explanation for our data is a model in which actin oligomers assemble by binding to clustered membrane sites with successive monomers on one side of the actin filament bound to the membrane. Individual binding affinities are expected to be low, but the overall actin-membrane avidity is high, due to multivalency. Our results imply that extracellular factors that cluster membrane proteins may create sites for the formation of actin nuclei and thus trigger actin polymerization in the cell. PMID:3392099

Galaxy masses in large surveys: Connecting luminous and dark matter with weak lensing and kinematics

NASA Astrophysics Data System (ADS)

Reyes, Reinabelle

2011-01-01

Galaxy masses are difficult to determine because light traces stars and gas in a non-trivial way, and does not trace dark matter, which extends well beyond the luminous regions of galaxies. In this thesis, I use the most direct probes of dark matter available---weak gravitational lensing and galaxy kinematics---to trace the total mass in galaxies (and galaxy clusters) in large surveys. In particular, I use the large, homogeneous dataset from the Sloan Digital Sky Survey (SDSS), which provides spectroscopic redshifts for a large sample of galaxies at z ≲ 0.2 and imaging data to a depth of r < 22. By combining complementary probes, I am able to obtain robust observational constraints that cannot be obtained from any single technique alone. First, I use weak lensing of galaxy clusters to derive an optimal optical tracer of cluster mass, which was found to be a combination of cluster richness and the luminosity of the brightest cluster galaxy. Next, I combine weak lensing of luminous red galaxies with redshift distortions and clustering measurements to derive a robust probe of gravity on cosmological scales. Finally, I combine weak lensing with the kinematics of disk galaxies to constrain the total mass profile over several orders of magnitude. I derive a minimal-scatter relation between disk velocity and stellar mass (also known as the Tully-Fisher relation) that can be used, by construction, on a similarly-selected lens sample. Then, I combine this relation with halo mass measurements from weak lensing to place constraints on the ratio of the optical to virial velocities, as well as the ratio of halo to stellar masses, both as a function of stellar mass. These results will serve as inputs to and constraints on disk galaxy formation models, which will be explored in future work.

Molecular complexes in close and far away

PubMed Central

Klemperer, William; Vaida, Veronica

2006-01-01

In this review, gas-phase chemistry of interstellar media and some planetary atmospheres is extended to include molecular complexes. Although the composition, density, and temperature of the environments discussed are very different, molecular complexes have recently been considered as potential contributors to chemistry. The complexes reviewed include strongly bound aggregates of molecules with ions, intermediate-strength hydrogen bonded complexes (primarily hydrates), and weakly bonded van der Waals molecules. In low-density, low-temperature environments characteristic of giant molecular clouds, molecular synthesis, known to involve gas-phase ion-molecule reactions and chemistry at the surface of dust and ice grains is extended here to involve molecular ionic clusters. At the high density and high temperatures found on planetary atmospheres, molecular complexes contribute to both atmospheric chemistry and climate. Using the observational, laboratory, and theoretical database, the role of molecular complexes in close and far away is discussed. PMID:16740667

Galaxy cluster center detection methods with weak lensing

NASA Astrophysics Data System (ADS)

Simet, Melanie

The precise location of galaxy cluster centers is a persistent problem in weak lensing mass estimates and in interpretations of clusters in a cosmological context. In this work, we test methods of centroid determination from weak lensing data and examine the effects of such self-calibration on the measured masses. Drawing on lensing data from the Sloan Digital Sky Survey Stripe 82, a 275 square degree region of coadded data in the Southern Galactic Cap, together with a catalog of MaxBCG clusters, we show that halo substructure as well as shape noise and stochasticity in galaxy positions limit the precision of such a self-calibration (in the context of Stripe 82, to ˜ 500 h-1 kpc or larger) and bias the mass estimates around these points to a level that is likely unacceptable for the purposes of making cosmological measurements. We also project the usefulness of this technique in future surveys.

Cluster-lensing: A Python Package for Galaxy Clusters and Miscentering

NASA Astrophysics Data System (ADS)

Ford, Jes; VanderPlas, Jake

2016-12-01

We describe a new open source package for calculating properties of galaxy clusters, including Navarro, Frenk, and White halo profiles with and without the effects of cluster miscentering. This pure-Python package, cluster-lensing, provides well-documented and easy-to-use classes and functions for calculating cluster scaling relations, including mass-richness and mass-concentration relations from the literature, as well as the surface mass density {{Σ }}(R) and differential surface mass density {{Δ }}{{Σ }}(R) profiles, probed by weak lensing magnification and shear. Galaxy cluster miscentering is especially a concern for stacked weak lensing shear studies of galaxy clusters, where offsets between the assumed and the true underlying matter distribution can lead to a significant bias in the mass estimates if not accounted for. This software has been developed and released in a public GitHub repository, and is licensed under the permissive MIT license. The cluster-lensing package is archived on Zenodo. Full documentation, source code, and installation instructions are available at http://jesford.github.io/cluster-lensing/.

Theoretical studies of association and dissociation of Feshbach molecules in a microgravity environment

NASA Astrophysics Data System (ADS)

D'Incao, Jose; Williams, Jason

2017-04-01

NASA's Cold Atom Laboratory (CAL) is a multi-user facility scheduled for launch to the ISS in 2017. Our flight experiments with CAL will characterize and mitigate leading-order systematics in dual-atomic-species atom interferometers in microgravity relevant for future fundamental physics missions in space. As part of the initial state preparation for interferometry studies, here, we study the RF association and dissociation of weakly bound heteronuclear Feshbach molecules for expected parameters relevant for the microgravity environment of CAL. This includes temperatures on the pico-Kelvin range and atomic densities as low as 108/cm3. We show that under such conditions, thermal and loss effects can be greatly suppressed, resulting in high efficiency in both association and dissociation of extremely weakly bound Feshbach molecules and allowing for high accuracy determination coherent properties of such processes. In addition we study the possibility to implement delta-kick cooling techniques for weakly bound heteronuclear molecules and explore numerically other methods for molecular association and dissociation including the effects of three-body interactions. This research is supported by the National Aeronautics and Space Administration.

Weakly Bound Free Radicals in Combustion: "Prompt" Dissociation of Formyl Radicals and Its Effect on Laminar Flame Speeds

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

Labbe, Nicole J.; Sivaramakrishnan, Raghu; Goldsmith, C. Franklin

2016-01-07

Weakly bound free radicals have low-dissociation thresholds such that at high temperatures, timescales for dissociation and collisional relaxation become comparable, leading to significant dissociation during the vibrational-rotational relaxation process. Here we characterize this “prompt” dissociation of formyl (HCO), an important combustion radical, using direct dynamics calculations for OH + CH2O and H + CH2O (key HCO-forming reactions). For all other HCO-forming reactions, presumption of a thermal incipient HCO distribution was used to derive prompt dissociation fractions. Inclusion of these theoretically derived HCO prompt dissociation fractions into combustion kinetics models provides an additional source for H-atoms that feeds chain branching reactions.more » Simulations using these updated combustion models are therefore shown to enhance flame propagation in 1,3,5-trioxane and acetylene. The present results suggest that HCO prompt dissociation should be included when simulating flames of hydrocarbons and oxygenated molecules and that prompt dissociations of other weakly bound radicals may also impact combustion simulations« less

Cluster-Based Maximum Consensus Time Synchronization for Industrial Wireless Sensor Networks.

PubMed

Wang, Zhaowei; Zeng, Peng; Zhou, Mingtuo; Li, Dong; Wang, Jintao

2017-01-13

Time synchronization is one of the key technologies in Industrial Wireless Sensor Networks (IWSNs), and clustering is widely used in WSNs for data fusion and information collection to reduce redundant data and communication overhead. Considering IWSNs' demand for low energy consumption, fast convergence, and robustness, this paper presents a novel Cluster-based Maximum consensus Time Synchronization (CMTS) method. It consists of two parts: intra-cluster time synchronization and inter-cluster time synchronization. Based on the theory of distributed consensus, the proposed method utilizes the maximum consensus approach to realize the intra-cluster time synchronization, and adjacent clusters exchange the time messages via overlapping nodes to synchronize with each other. A Revised-CMTS is further proposed to counteract the impact of bounded communication delays between two connected nodes, because the traditional stochastic models of the communication delays would distort in a dynamic environment. The simulation results show that our method reduces the communication overhead and improves the convergence rate in comparison to existing works, as well as adapting to the uncertain bounded communication delays.

Cluster-Based Maximum Consensus Time Synchronization for Industrial Wireless Sensor Networks †

PubMed Central

Wang, Zhaowei; Zeng, Peng; Zhou, Mingtuo; Li, Dong; Wang, Jintao

2017-01-01

Time synchronization is one of the key technologies in Industrial Wireless Sensor Networks (IWSNs), and clustering is widely used in WSNs for data fusion and information collection to reduce redundant data and communication overhead. Considering IWSNs’ demand for low energy consumption, fast convergence, and robustness, this paper presents a novel Cluster-based Maximum consensus Time Synchronization (CMTS) method. It consists of two parts: intra-cluster time synchronization and inter-cluster time synchronization. Based on the theory of distributed consensus, the proposed method utilizes the maximum consensus approach to realize the intra-cluster time synchronization, and adjacent clusters exchange the time messages via overlapping nodes to synchronize with each other. A Revised-CMTS is further proposed to counteract the impact of bounded communication delays between two connected nodes, because the traditional stochastic models of the communication delays would distort in a dynamic environment. The simulation results show that our method reduces the communication overhead and improves the convergence rate in comparison to existing works, as well as adapting to the uncertain bounded communication delays. PMID:28098750

SUZAKU OBSERVATIONS OF SUBHALOS IN THE COMA CLUSTER

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

Sasaki, Toru; Matsushita, Kyoko; Sato, Kosuke

2015-06-10

We observed three massive subhalos in the Coma cluster with Suzaku. These subhalos, labeled “ID 1,” “ID 2,” and “ID 32,” were detected with a weak-lensing survey using Subaru/Suprime-Cam, and are located at the projected distances of 1.4 r{sub 500}, 1.2 r{sub 500}, and 1.6 r{sub 500} from the center of the Coma cluster, respectively. The subhalo “ID 1” has a compact X-ray excess emission close to the center of the weak-lensing mass contour, and the gas mass to weak-lensing mass ratio is about 0.001. The temperature of the emission is about 3 keV, which is slightly lower than thatmore » of the surrounding intracluster medium (ICM) and that expected for the temperature versus mass relation of clusters of galaxies. The subhalo “ID 32” shows an excess emission whose peak is shifted toward the opposite direction from the center of the Coma cluster. The gas mass to weak-lensing mass ratio is also about 0.001, which is significantly smaller than regular galaxy groups. The temperature of the excess is about 0.5 keV and significantly lower than that of the surrounding ICM and far from the temperature versus mass relation of clusters. However, there is no significant excess X-ray emission in the “ID 2” subhalo. Assuming an infall velocity of about 2000 km s{sup −1}, at the border of the excess X-ray emission, the ram pressures for “ID 1” and “ID 32” are comparable to the gravitational restoring force per area. We also studied the effect of the Kelvin–Helmholtz instability to strip the gas. Although we found X-ray clumps associated with the weak-lensing subhalos, their X-ray luminosities are much lower than the total ICM luminosity in the cluster outskirts.« less

Correlation Functions Quantify Super-Resolution Images and Estimate Apparent Clustering Due to Over-Counting

PubMed Central

Veatch, Sarah L.; Machta, Benjamin B.; Shelby, Sarah A.; Chiang, Ethan N.; Holowka, David A.; Baird, Barbara A.

2012-01-01

We present an analytical method using correlation functions to quantify clustering in super-resolution fluorescence localization images and electron microscopy images of static surfaces in two dimensions. We use this method to quantify how over-counting of labeled molecules contributes to apparent self-clustering and to calculate the effective lateral resolution of an image. This treatment applies to distributions of proteins and lipids in cell membranes, where there is significant interest in using electron microscopy and super-resolution fluorescence localization techniques to probe membrane heterogeneity. When images are quantified using pair auto-correlation functions, the magnitude of apparent clustering arising from over-counting varies inversely with the surface density of labeled molecules and does not depend on the number of times an average molecule is counted. In contrast, we demonstrate that over-counting does not give rise to apparent co-clustering in double label experiments when pair cross-correlation functions are measured. We apply our analytical method to quantify the distribution of the IgE receptor (FcεRI) on the plasma membranes of chemically fixed RBL-2H3 mast cells from images acquired using stochastic optical reconstruction microscopy (STORM/dSTORM) and scanning electron microscopy (SEM). We find that apparent clustering of FcεRI-bound IgE is dominated by over-counting labels on individual complexes when IgE is directly conjugated to organic fluorophores. We verify this observation by measuring pair cross-correlation functions between two distinguishably labeled pools of IgE-FcεRI on the cell surface using both imaging methods. After correcting for over-counting, we observe weak but significant self-clustering of IgE-FcεRI in fluorescence localization measurements, and no residual self-clustering as detected with SEM. We also apply this method to quantify IgE-FcεRI redistribution after deliberate clustering by crosslinking with two distinct trivalent ligands of defined architectures, and we evaluate contributions from both over-counting of labels and redistribution of proteins. PMID:22384026

Low-energy fusion dynamics of weakly bound nuclei: A time dependent perspective

NASA Astrophysics Data System (ADS)

Diaz-Torres, A.; Boselli, M.

2016-05-01

Recent dynamical fusion models for weakly bound nuclei at low incident energies, based on a time-dependent perspective, are briefly presented. The main features of both the PLATYPUS model and a new quantum approach are highlighted. In contrast to existing timedependent quantum models, the present quantum approach separates the complete and incomplete fusion from the total fusion. Calculations performed within a toy model for 6Li + 209Bi at near-barrier energies show that converged excitation functions for total, complete and incomplete fusion can be determined with the time-dependent wavepacket dynamics.

Differential dynamic microscopy of weakly scattering and polydisperse protein-rich clusters

NASA Astrophysics Data System (ADS)

Safari, Mohammad S.; Vorontsova, Maria A.; Poling-Skutvik, Ryan; Vekilov, Peter G.; Conrad, Jacinta C.

2015-10-01

Nanoparticle dynamics impact a wide range of biological transport processes and applications in nanomedicine and natural resource engineering. Differential dynamic microscopy (DDM) was recently developed to quantify the dynamics of submicron particles in solutions from fluctuations of intensity in optical micrographs. Differential dynamic microscopy is well established for monodisperse particle populations, but has not been applied to solutions containing weakly scattering polydisperse biological nanoparticles. Here we use bright-field DDM (BDDM) to measure the dynamics of protein-rich liquid clusters, whose size ranges from tens to hundreds of nanometers and whose total volume fraction is less than 10-5. With solutions of two proteins, hemoglobin A and lysozyme, we evaluate the cluster diffusion coefficients from the dependence of the diffusive relaxation time on the scattering wave vector. We establish that for weakly scattering populations, an optimal thickness of the sample chamber exists at which the BDDM signal is maximized at the smallest sample volume. The average cluster diffusion coefficient measured using BDDM is consistently lower than that obtained from dynamic light scattering at a scattering angle of 90∘. This apparent discrepancy is due to Mie scattering from the polydisperse cluster population, in which larger clusters preferentially scatter more light in the forward direction.

Weak lensing measurement of the mass–richness relation of SDSS redMaPPer clusters

DOE PAGES

Simet, Melanie; McClintock, Tom; Mandelbaum, Rachel; ...

2016-12-15

Here, we perform a measurement of the mass–richness relation of the redMaPPer galaxy cluster catalogue using weak lensing data from the Sloan Digital Sky Survey. We carefully characterized a broad range of systematic uncertainties, including shear calibration errors, photo-zz biases, dilution by member galaxies, source obscuration, magnification bias, incorrect assumptions about cluster mass profiles, cluster centering, halo triaxiality, and projection effects. We then compare measurements of the lensing signal from two independently-produced shear and photometric redshift catalogues to characterize systematic errors in the lensing signal itself. Using a sample of 5,570 clusters from 0.1 ≤ zz ≤ 0.33, the normalization of our power-law mass vs. λ relation is log 10[M 200m/h -1 M ⊙] = 14.344 ± 0.021 (statistical) ±0.023 (systematic) at a richness λ = 40, a 7 per cent calibration uncertainty, with a power-law index of 1.33+0.09-0.101.33more » $$+0.09\\atop{-0.10}$$ (1σ). Finally, the detailed systematics characterization in this work renders it the definitive weak lensing mass calibration for SDSS redMaPPer clusters at this time.« less

LoCuSS: comparison of observed X-ray and lensing galaxy cluster scaling relations with simulations

NASA Astrophysics Data System (ADS)

Zhang, Y.-Y.; Finoguenov, A.; Böhringer, H.; Kneib, J.-P.; Smith, G. P.; Kneissl, R.; Okabe, N.; Dahle, H.

2008-05-01

The Local Cluster Substructure Survey (LoCuSS, Smith et al.) is a systematic multi-wavelength survey of more than 100 X-ray luminous galaxy clusters in the redshift range 0.14-0.3 selected from the ROSAT All Sky Survey. We used data on 37 LoCuSS clusters from the XMM-Newton archive to investigate the global scaling relations of galaxy clusters. The scaling relations based solely on the X-ray data (S-T, S-Y_X, P-Y_X, M-T, M-Y_X, M-M_gas, M_gas-T, L-T, L-Y_X, and L-M) obey empirical self-similarity and reveal no additional evolution beyond the large-scale structure growth. They also reveal up to 17 per cent segregation between all 37 clusters and non-cool core clusters. Weak lensing mass measurements are also available in the literature for 19 of the clusters with XMM-Newton data. The average of the weak lensing mass to X-ray based mass ratio is 1.09± 0.08, setting the limit of the non-thermal pressure support to 9 ± 8 per cent. The mean of the weak lensing mass to X-ray based mass ratio of these clusters is ~1, indicating good agreement between X-ray and weak lensing masses for most clusters, although with 31-51 per cent scatter. The scatter in the mass-observable relations (M-Y_X, M-M_gas, and M-T) is smaller using X-ray based masses than using weak lensing masses by a factor of 2. With the scaled radius defined by the YX profile - r500 Y_X,X, r500YX,wl, and r500Y_X,si, we obtain lower scatter in the weak lensing mass based mass-observable relations, which means the origin of the scatter is M^wl and MX instead of Y_X. The normalization of the M-YX relation using X-ray mass estimates is lower than the one from simulations by up to 18-24 per cent at 3σ significance. This agrees with the M-YX relation based on weak lensing masses, the normalization of the latter being ~20 per cent lower than the one from simulations at ~2σ significance. This difference between observations and simulations is also indicated in the M-M_gas and M-T relations. Despite the large scatter in the comparison of X-ray to lensing, the agreement between these two completely independent observational methods is an important step towards controlling astrophysical and measurement systematics in cosmological scaling relations. This work is based on observations made with the XMM-Newton, an ESA science mission with instruments and contributions directly funded by ESA member states and the USA (NASA). Appendices A-C are only available in electronic form at http://www.aanda.org

Correction of Hydrostatic Cluster Masses through Power Ratios and Weak Lensing

NASA Astrophysics Data System (ADS)

Mahdavi, Andisheh

2009-09-01

The evolution of rich, X-ray emitting clusters of galaxies has given us precise measurements of the cosmological parameters, with dramatic constraints on the dark energy equation of state. Built into these measurements are wholesale corrections for the infamous "X-ray mass underestimate"---the fact that X-ray masses are systematically low due to the incomplete thermalization of the intracluster plasma. We seek to refine the mass correction for cosmological use through morphological power ratios. Power ratios deliver more accurate correction factors because they take into account variations in substructure from cluster to cluster. We will test their ability to correct X-ray masses by comparing hydrostatic and weak lensing mass profiles for a sample of 44 rich clusters of galaxies.

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

MacLeod, Morgan; Ramirez-Ruiz, Enrico; Trenti, Michele

When embedded in dense cluster cores, intermediate-mass black holes (IMBHs) acquire close stellar or stellar-remnant companions. These companions are not only gravitationally bound, but also tend to hierarchically isolate from other cluster stars through series of multibody encounters. In this paper we study the demographics of IMBH companions in compact star clusters through direct N-body simulations. We study clusters initially composed of 10{sup 5} or 2 × 10{sup 5} stars with IMBHs of 75 and 150 solar masses, and we follow their evolution for 6–10 Gyr. A tight, innermost binary pair of IMBH and stellar object rapidly forms. The IMBH has amore » companion with an orbital semimajor axis at least three times tighter than the second-most-bound object over 90% of the time. These companionships have typical periods on the order of years and are subject to cycles of exchange and destruction. The most frequently observed, long-lived pairings persist for ∼10{sup 7} years. The demographics of IMBH companions in clusters are diverse: they include both main-sequence, giant stars and stellar remnants. Companion objects may reveal the presence of an IMBH in a cluster in one of several ways. The most-bound companion stars routinely suffer grazing tidal interactions with the IMBH, offering a dynamical mechanism to produce repeated flaring episodes like those seen in the IMBH candidate HLX-1. The stellar winds of companion stars provide a minimum quiescent accretion rate for IMBHs, with implications for radio searches for IMBH accretion in globular clusters. Finally, gravitational wave inspirals of compact objects occur with promising frequency.« less

The Close Stellar Companions to Intermediate-mass Black Holes

NASA Astrophysics Data System (ADS)

MacLeod, Morgan; Trenti, Michele; Ramirez-Ruiz, Enrico

2016-03-01

When embedded in dense cluster cores, intermediate-mass black holes (IMBHs) acquire close stellar or stellar-remnant companions. These companions are not only gravitationally bound, but also tend to hierarchically isolate from other cluster stars through series of multibody encounters. In this paper we study the demographics of IMBH companions in compact star clusters through direct N-body simulations. We study clusters initially composed of 105 or 2 × 105 stars with IMBHs of 75 and 150 solar masses, and we follow their evolution for 6-10 Gyr. A tight, innermost binary pair of IMBH and stellar object rapidly forms. The IMBH has a companion with an orbital semimajor axis at least three times tighter than the second-most-bound object over 90% of the time. These companionships have typical periods on the order of years and are subject to cycles of exchange and destruction. The most frequently observed, long-lived pairings persist for ˜107 years. The demographics of IMBH companions in clusters are diverse: they include both main-sequence, giant stars and stellar remnants. Companion objects may reveal the presence of an IMBH in a cluster in one of several ways. The most-bound companion stars routinely suffer grazing tidal interactions with the IMBH, offering a dynamical mechanism to produce repeated flaring episodes like those seen in the IMBH candidate HLX-1. The stellar winds of companion stars provide a minimum quiescent accretion rate for IMBHs, with implications for radio searches for IMBH accretion in globular clusters. Finally, gravitational wave inspirals of compact objects occur with promising frequency.

Galaxy Clusters, Near and Far, Have a Lot in Common

NASA Astrophysics Data System (ADS)

2005-04-01

Using two orbiting X-ray telescopes, a team of international astronomers has examined distant galaxy clusters in order to compare them with their counterparts that are relatively close by. Speaking today at the RAS National Astronomy Meeting in Birmingham, Dr. Ben Maughan (Harvard-Smithsonian Center for Astrophysics), presented the results of this new analysis. The observations indicate that, despite the great expansion that the Universe has undergone since the Big Bang, galaxy clusters both local and distant have a great deal in common. This discovery could eventually lead to a better understanding of how to "weigh" these enormous structures, and, in so doing, answer important questions about the nature and structure of the Universe. Clusters of galaxies, the largest known gravitationally-bound objects, are the knots in the cosmic web of structure that permeates the Universe. Theoretical models make predictions about the number, distribution and properties of these clusters. Scientists can test and improve models of the Universe by comparing these predictions with observations. The most powerful way of doing this is to measure the masses of galaxy clusters, particularly those in the distant Universe. However, weighing galaxy clusters is extremely difficult. One relatively easy way to weigh a galaxy cluster is to use simple laws ("scaling relations") to estimate its weight from properties that are easy to observe, like its luminosity (brightness) or temperature. This is like estimating someone's weight from their height if you didn't have any scales. Over the last 3 years, a team of researchers, led by Ben Maughan, has observed 11 distant galaxy clusters with ESA's XMM-Newton and NASA's Chandra X-ray Observatory. The clusters have redshifts of z = 0.6-1.0, which corresponds to distances of 6 to 8 billion light years. This means that we see them as they were when the Universe was half its present age. The survey included two unusual systems, one in which two massive clusters are merging and another extremely massive cluster which appears very "relaxed" and undisturbed. The X-ray data allowed the scientists to measure the temperatures and luminosities of the gas in the clusters. They were then able to infer their total masses, which varied between 200 and 1,100 times the mass of our Milky Way galaxy. These measurements were then used to test whether galaxy clusters of different sizes and located at different distances from us are simply scaled versions of each other -- a condition known as being "self-similar." This is an important characteristic for astronomers to identify if they hope to get the true weights of galaxy clusters. "For example, chocolate bars are strongly self-similar," said Maughan. "If you shrank a king-size bar to a fun-size bar, they would be identical versions of each other but just different sizes." "However, if you shrank a castle to the size of a bungalow, they would be very different structures, despite being the same size. This means that they are not strongly self-similar objects." Another possible type of relationship between clusters is what scientists call "weakly self-similar." In this case, galaxy clusters in the distant universe and those nearby are almost identical to each other, but not exactly the same. (The only differences between them can be accounted for by the expansion of the Universe since the Big Bang.) Although astronomers have known for some time that galaxy clusters are not strongly self-similar, the question of whether or not they are weakly self-similar has remained open. The new results show that as long as astronomers take into account the continuous expansion of the Universe, then galaxy clusters are, in fact, weakly self-similar. This means that the same scaling relations used to weigh nearby galaxy clusters hold true for these very distant clusters. "Our results mean that weighing distant galaxy clusters could become as easy as converting from Fahrenheit to Celsius," said Maughan. "This will help to answer important questions about the nature and structure of the Universe." The other members of the team were: Laurence Jones (University of Birmingham, UK) Harald Ebeling (Institute for Astronomy, HI, USA), and Caleb Scharf (Columbia Astrophysics Laboratory, NY, USA). The observations were made with the European Photon Imaging Camera (EPIC) on XMM and the Advanced Camera for Imaging and Spectroscopy (ACIS) on Chandra. They were part of the WARPS survey of distant galaxy clusters detected by chance in observations made with the UK-US-Dutch ROSAT X-ray satellite. Additional information and images are available at: http://www.sr.bham.ac.uk/~habib/nampr/

Synchronization of Coupled Dynamical Systems: Tolerance to Weak Connectivity and Arbitrarily Bounded Time-Varying Delays

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

Meng, Ziyang; Yang, Tao; Li, Guoqi

We study synchronization of coupled linear systems over networks with weak connectivity and time-varying delays. We focus on the case that the internal dynamics are time-varying but non-expansive. Both uniformly connected and infinitely connected communication topologies are considered. A new concept of P-synchronization is introduced and we first show that global asymptotic P-synchronization can be achieved over directed networks with uniform joint connectivity and arbitrarily bounded delays. We then study the case of the infinitely jointly connected communication topology. In particular, for the undirected communication topologies, it turns out that the existence of a uniform time interval for the communicationmore » topology is not necessary and P-synchronization can be achieved when the time varying delays are arbitrarily bounded. Simulations are given to validate the theoretical results.« less

Heat kernel for the elliptic system of linear elasticity with boundary conditions

NASA Astrophysics Data System (ADS)

Taylor, Justin; Kim, Seick; Brown, Russell

2014-10-01

We consider the elliptic system of linear elasticity with bounded measurable coefficients in a domain where the second Korn inequality holds. We construct heat kernel of the system subject to Dirichlet, Neumann, or mixed boundary condition under the assumption that weak solutions of the elliptic system are Hölder continuous in the interior. Moreover, we show that if weak solutions of the mixed problem are Hölder continuous up to the boundary, then the corresponding heat kernel has a Gaussian bound. In particular, if the domain is a two dimensional Lipschitz domain satisfying a corkscrew or non-tangential accessibility condition on the set where we specify Dirichlet boundary condition, then we show that the heat kernel has a Gaussian bound. As an application, we construct Green's function for elliptic mixed problem in such a domain.

Comparisons of non-Gaussian statistical models in DNA methylation analysis.

PubMed

Ma, Zhanyu; Teschendorff, Andrew E; Yu, Hong; Taghia, Jalil; Guo, Jun

2014-06-16

As a key regulatory mechanism of gene expression, DNA methylation patterns are widely altered in many complex genetic diseases, including cancer. DNA methylation is naturally quantified by bounded support data; therefore, it is non-Gaussian distributed. In order to capture such properties, we introduce some non-Gaussian statistical models to perform dimension reduction on DNA methylation data. Afterwards, non-Gaussian statistical model-based unsupervised clustering strategies are applied to cluster the data. Comparisons and analysis of different dimension reduction strategies and unsupervised clustering methods are presented. Experimental results show that the non-Gaussian statistical model-based methods are superior to the conventional Gaussian distribution-based method. They are meaningful tools for DNA methylation analysis. Moreover, among several non-Gaussian methods, the one that captures the bounded nature of DNA methylation data reveals the best clustering performance.

Comparisons of Non-Gaussian Statistical Models in DNA Methylation Analysis

PubMed Central

Ma, Zhanyu; Teschendorff, Andrew E.; Yu, Hong; Taghia, Jalil; Guo, Jun

2014-01-01

As a key regulatory mechanism of gene expression, DNA methylation patterns are widely altered in many complex genetic diseases, including cancer. DNA methylation is naturally quantified by bounded support data; therefore, it is non-Gaussian distributed. In order to capture such properties, we introduce some non-Gaussian statistical models to perform dimension reduction on DNA methylation data. Afterwards, non-Gaussian statistical model-based unsupervised clustering strategies are applied to cluster the data. Comparisons and analysis of different dimension reduction strategies and unsupervised clustering methods are presented. Experimental results show that the non-Gaussian statistical model-based methods are superior to the conventional Gaussian distribution-based method. They are meaningful tools for DNA methylation analysis. Moreover, among several non-Gaussian methods, the one that captures the bounded nature of DNA methylation data reveals the best clustering performance. PMID:24937687

Renorming c0 and closed, bounded, convex sets with fixed point property for affine nonexpansive mappings

NASA Astrophysics Data System (ADS)

Nezir, Veysel; Mustafa, Nizami

2017-04-01

In 2008, P.K. Lin provided the first example of a nonreflexive space that can be renormed to have fixed point property for nonexpansive mappings. This space was the Banach space of absolutely summable sequences l1 and researchers aim to generalize this to c0, Banach space of null sequences. Before P.K. Lin's intriguing result, in 1979, Goebel and Kuczumow showed that there is a large class of non-weak* compact closed, bounded, convex subsets of l1 with fixed point property for nonexpansive mappings. Then, P.K. Lin inspired by Goebel and Kuczumow's ideas to give his result. Similarly to P.K. Lin's study, Hernández-Linares worked on L1 and in his Ph.D. thesis, supervisored under Maria Japón, showed that L1 can be renormed to have fixed point property for affine nonexpansive mappings. Then, related questions for c0 have been considered by researchers. Recently, Nezir constructed several equivalent norms on c0 and showed that there are non-weakly compact closed, bounded, convex subsets of c0 with fixed point property for affine nonexpansive mappings. In this study, we construct a family of equivalent norms containing those developed by Nezir as well and show that there exists a large class of non-weakly compact closed, bounded, convex subsets of c0 with fixed point property for affine nonexpansive mappings.

Electron Spin Relaxation and Biochemical Characterization of the Hydrogenase Maturase HydF: Insights into [2Fe-2S] and [4Fe-4S] Cluster Communication and Hydrogenase Activation.

PubMed

Shepard, Eric M; Byer, Amanda S; Aggarwal, Priyanka; Betz, Jeremiah N; Scott, Anna G; Shisler, Krista A; Usselman, Robert J; Eaton, Gareth R; Eaton, Sandra S; Broderick, Joan B

2017-06-27

Nature utilizes [FeFe]-hydrogenase enzymes to catalyze the interconversion between H 2 and protons and electrons. Catalysis occurs at the H-cluster, a carbon monoxide-, cyanide-, and dithiomethylamine-coordinated 2Fe subcluster bridged via a cysteine to a [4Fe-4S] cluster. Biosynthesis of this unique metallocofactor is accomplished by three maturase enzymes denoted HydE, HydF, and HydG. HydE and HydG belong to the radical S-adenosylmethionine superfamily of enzymes and synthesize the nonprotein ligands of the H-cluster. These enzymes interact with HydF, a GTPase that acts as a scaffold or carrier protein during 2Fe subcluster assembly. Prior characterization of HydF demonstrated the protein exists in both dimeric and tetrameric states and coordinates both [4Fe-4S] 2+/+ and [2Fe-2S] 2+/+ clusters [Shepard, E. M., Byer, A. S., Betz, J. N., Peters, J. W., and Broderick, J. B. (2016) Biochemistry 55, 3514-3527]. Herein, electron paramagnetic resonance (EPR) is utilized to characterize the [2Fe-2S] + and [4Fe-4S] + clusters bound to HydF. Examination of spin relaxation times using pulsed EPR in HydF samples exhibiting both [4Fe-4S] + and [2Fe-2S] + cluster EPR signals supports a model in which the two cluster types either are bound to widely separated sites on HydF or are not simultaneously bound to a single HydF species. Gel filtration chromatographic analyses of HydF spectroscopic samples strongly suggest the [2Fe-2S] + and [4Fe-4S] + clusters are coordinated to the dimeric form of the protein. Lastly, we examined the 2Fe subcluster-loaded form of HydF and showed the dimeric state is responsible for [FeFe]-hydrogenase activation. Together, the results indicate a specific role for the HydF dimer in the H-cluster biosynthesis pathway.

Electron Spin Relaxation and Biochemical Characterization of the Hydrogenase Maturase HydF: Insights into [2Fe-2S] and [4Fe-4S] Cluster Communication and Hydrogenase Activation

PubMed Central

2017-01-01

Nature utilizes [FeFe]-hydrogenase enzymes to catalyze the interconversion between H2 and protons and electrons. Catalysis occurs at the H-cluster, a carbon monoxide-, cyanide-, and dithiomethylamine-coordinated 2Fe subcluster bridged via a cysteine to a [4Fe-4S] cluster. Biosynthesis of this unique metallocofactor is accomplished by three maturase enzymes denoted HydE, HydF, and HydG. HydE and HydG belong to the radical S-adenosylmethionine superfamily of enzymes and synthesize the nonprotein ligands of the H-cluster. These enzymes interact with HydF, a GTPase that acts as a scaffold or carrier protein during 2Fe subcluster assembly. Prior characterization of HydF demonstrated the protein exists in both dimeric and tetrameric states and coordinates both [4Fe-4S]2+/+ and [2Fe-2S]2+/+ clusters [Shepard, E. M., Byer, A. S., Betz, J. N., Peters, J. W., and Broderick, J. B. (2016) Biochemistry 55, 3514–3527]. Herein, electron paramagnetic resonance (EPR) is utilized to characterize the [2Fe-2S]+ and [4Fe-4S]+ clusters bound to HydF. Examination of spin relaxation times using pulsed EPR in HydF samples exhibiting both [4Fe-4S]+ and [2Fe-2S]+ cluster EPR signals supports a model in which the two cluster types either are bound to widely separated sites on HydF or are not simultaneously bound to a single HydF species. Gel filtration chromatographic analyses of HydF spectroscopic samples strongly suggest the [2Fe-2S]+ and [4Fe-4S]+ clusters are coordinated to the dimeric form of the protein. Lastly, we examined the 2Fe subcluster-loaded form of HydF and showed the dimeric state is responsible for [FeFe]-hydrogenase activation. Together, the results indicate a specific role for the HydF dimer in the H-cluster biosynthesis pathway. PMID:28525271

The Splashback Feature around DES Galaxy Clusters: Galaxy Density and Weak Lensing Profiles

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

Chang, Chihway; et al.

Splashback refers to the process of matter that is accreting onto a dark matter halo reaching its first orbital apocenter and turning around in its orbit. The cluster-centric radius at which this process occurs, r_sp, defines a halo boundary that is connected to the dynamics of the cluster, in contrast with other common halo boundary definitions such as R_200. A rapid decline in the matter density profile of the halo is expected near r_sp. We measure the galaxy number density and weak lensing mass profiles around RedMapper galaxy clusters in the first year Dark Energy Survey (DES) data. For amore » cluster sample with mean mass ~2.5 x 10^14 solar masses, we find strong evidence of a splashback-like steepening of the galaxy density profile and measure r_sp=1.16 +/- 0.08 Mpc/h, consistent with earlier SDSS measurements of More et al. (2016) and Baxter et al. (2017). Moreover, our weak lensing measurement demonstrates for the first time the existence of a splashback-like steepening of the matter profile of galaxy clusters. We measure r_sp=1.28 +/- 0.18 Mpc/h from the weak lensing data, in good agreement with our galaxy density measurements. Applying our analysis to different cluster and galaxy samples, we find that consistent with LambdaCDM simulations, r_sp scales with R_200m and does not evolve with redshift over the redshift range of 0.3--0.6. We also find that potential systematic effects associated with the RedMapper algorithm may impact the location of r_sp, in particular the choice of scale used to estimate cluster richness. We discuss progress needed to understand the systematic uncertainties and fully exploit forthcoming data from DES and future surveys, emphasizing the importance of more realistic mock catalogs and independent cluster samples.« less

On the Conservation and Convergence to Weak Solutions of Global Schemes

NASA Technical Reports Server (NTRS)

Carpenter, Mark H.; Gottlieb, David; Shu, Chi-Wang

2001-01-01

In this paper we discuss the issue of conservation and convergence to weak solutions of several global schemes, including the commonly used compact schemes and spectral collocation schemes, for solving hyperbolic conservation laws. It is shown that such schemes, if convergent boundedly almost everywhere, will converge to weak solutions. The results are extensions of the classical Lax-Wendroff theorem concerning conservative schemes.

Efficient Organometallic Spin Filter between Single-Wall Carbon Nanotube or Graphene Electrodes

NASA Astrophysics Data System (ADS)

Koleini, Mohammad; Paulsson, Magnus; Brandbyge, Mads

2007-05-01

We present a theoretical study of spin transport in a class of molecular systems consisting of an organometallic benzene-vanadium cluster placed in between graphene or single-wall carbon-nanotube-model contacts. Ab initio modeling is performed by combining spin density functional theory and nonequilibrium Green’s function techniques. We consider weak and strong cluster-contact bonds. Depending on the bonding we find from 73% (strong bonds) up to 99% (weak bonds) spin polarization of the electron transmission, and enhanced polarization with increased cluster length.

Sound Velocity Bound and Neutron Stars

DOE PAGES

Bedaque, Paulo; Steiner, Andrew W.

2015-01-21

A conjecture that the velocity of sound in any medium is smaller than the velocity of light in vacuum divided by sqrt(3). Simple arguments support this bound in nonrelativistic and/or weakly coupled theories. Moreover, the bound has been demonstrated in several classes of strongly coupled theories with gravity duals and is saturated only in conformal theories. Here, we point out that the existence of neutron stars with masses around two solar masses combined with the knowledge of the equation of state of hadronic matter at low densities is in strong tension with this bound.

A weak lensing analysis of the PLCK G100.2-30.4 cluster

NASA Astrophysics Data System (ADS)

Radovich, M.; Formicola, I.; Meneghetti, M.; Bartalucci, I.; Bourdin, H.; Mazzotta, P.; Moscardini, L.; Ettori, S.; Arnaud, M.; Pratt, G. W.; Aghanim, N.; Dahle, H.; Douspis, M.; Pointecouteau, E.; Grado, A.

2015-07-01

We present a mass estimate of the Planck-discovered cluster PLCK G100.2-30.4, derived from a weak lensing analysis of deep Subaru griz images. We perform a careful selection of the background galaxies using the multi-band imaging data, and undertake the weak lensing analysis on the deep (1 h) r -band image. The shape measurement is based on the Kaiser-Squires-Broadhurst algorithm; we adopt the PSFex software to model the point spread function (PSF) across the field and correct for this in the shape measurement. The weak lensing analysis is validated through extensive image simulations. We compare the resulting weak lensing mass profile and total mass estimate to those obtained from our re-analysis of XMM-Newton observations, derived under the hypothesis of hydrostatic equilibrium. The total integrated mass profiles agree remarkably well, within 1σ across their common radial range. A mass M500 ~ 7 × 1014M⊙ is derived for the cluster from our weak lensing analysis. Comparing this value to that obtained from our reanalysis of XMM-Newton data, we obtain a bias factor of (1-b) = 0.8 ± 0.1. This is compatible within 1σ with the value of (1-b) obtained in Planck 2015 from the calibration of the bias factor using newly available weak lensing reconstructed masses. Based on data collected at Subaru Telescope (University of Tokyo).

Structure and decays of nuclear three-body systems: The Gamow coupled-channel method in Jacobi coordinates

NASA Astrophysics Data System (ADS)

Wang, S. M.; Michel, N.; Nazarewicz, W.; Xu, F. R.

2017-10-01

Background: Weakly bound and unbound nuclear states appearing around particle thresholds are prototypical open quantum systems. Theories of such states must take into account configuration mixing effects in the presence of strong coupling to the particle continuum space. Purpose: To describe structure and decays of three-body systems, we developed a Gamow coupled-channel (GCC) approach in Jacobi coordinates by employing the complex-momentum formalism. We benchmarked the complex-energy Gamow shell model (GSM) against the new framework. Methods: The GCC formalism is expressed in Jacobi coordinates, so that the center-of-mass motion is automatically eliminated. To solve the coupled-channel equations, we use hyperspherical harmonics to describe the angular wave functions while the radial wave functions are expanded in the Berggren ensemble, which includes bound, scattering, and Gamow states. Results: We show that the GCC method is both accurate and robust. Its results for energies, decay widths, and nucleon-nucleon angular correlations are in good agreement with the GSM results. Conclusions: We have demonstrated that a three-body GSM formalism explicitly constructed in the cluster-orbital shell model coordinates provides results similar to those with a GCC framework expressed in Jacobi coordinates, provided that a large configuration space is employed. Our calculations for A =6 systems and 26O show that nucleon-nucleon angular correlations are sensitive to the valence-neutron interaction. The new GCC technique has many attractive features when applied to bound and unbound states of three-body systems: it is precise, is efficient, and can be extended by introducing a microscopic model of the core.

Infrared Spectroscopy of Metal Ion Complexes: Models for Metal Ligand Interactions and Solvation

NASA Astrophysics Data System (ADS)

Duncan, Michael

2006-03-01

Weakly bound complexes of the form M^+-Lx (M=Fe, Ni, Co, etc.; L=CO2, C2H2, H2O, benzene, N2) are prepared in supersonic molecular beams by laser vaporization in a pulsed-nozzle cluster source. These species are mass analyzed and size-selected in a reflectron time-of-flight mass spectrometer. Clusters are photodissociated at infrared wavelengths with a Nd:YAG pumped infrared optical parametric oscillator/amplifier (OPO/OPA) laser or with a tunable infrared free-electron laser. M^+-(CO2)x complexes absorb near the free CO2 asymmetric stretch near 2349 cm-1 but with an interesting size dependent variation in the resonances. Small clusters have blue-shifted resonances, while larger complexes have additional bands due to surface CO2 molecules not attached to the metal. M^+(C2H2)n complexes absorb near the C-H stretches in acetylene, but resonances in metal complexes are red-shifted with repect to the isolated molecule. Ni^+ and Co^+ complexes with acetylene undergo intracluster cyclization reactions to form cyclobutadiene. Transition metal water complexes are studied in the O-H stretch region, and partial rotational structure can be measured. M^+(benzene) and M^+(benzene)2 ions (M=V, Ti, Al) represent half-sandwich and sandwich species, whose spectra are measured near the free benzene modes. These new IR spectra and their assignments will be discussed as well as other new IR spectra for similar complexes.

Monster Clusters in the Young Universe? Weak-lensing Masses of SPT-CL J0205-5829 and MOO1014+0038 with HST Observations

NASA Astrophysics Data System (ADS)

Feilx Kim, Seojin; Jee, Myungkook James

2018-01-01

Measuring High-z clusters’ masses is very important as the cluster abundance is extremely sensitive to the cosmological parameters. However, deriving their masses from the intracluster medium properties (i.e., Sunyaev-Zel’dovich or X-ray observations) is not the best method because of their departure from the hydrostatic equilibrium. Fortunately, the “See Change” Hubble Space Telescope program offers a rare opportunity to measure them using weak gravitational lensing. We study SPT-CL J0205-5829 (z=1.322) and MOO1014+0038 (z=1.24) discovered in the SPT-SZ and MaDCoW Surveys, respectively. Previous non-lensing based approaches suggest that both targets might be extremely massive clusters. After carefully addressing various possible systematics from the Advanced Camera for Surveys (ACS) and Wide Field Camera 3 (WFC3) images, we successfully detect clear weak lensing signals. We present their 2-dimensional mass maps and compare our weak-lensing masses with previous ICM-based results.

First evidence of external disc photoevaporation in a low mass star forming region: the case of IM Lup

NASA Astrophysics Data System (ADS)

Haworth, Thomas J.; Facchini, Stefano; Clarke, Cathie J.; Cleeves, L. Ilsedore

2017-06-01

We model the radiatively driven flow from IM Lup - a large protoplanetary disc expected to be irradiated by only a weak external radiation field (at least 104 times lower than the ultraviolet field irradiating the Orion Nebula Cluster proplyds). We find that material at large radii (>400 au) in this disc is sufficiently weakly gravitationally bound that significant mass-loss can be induced. Given the estimated values of the disc mass and accretion rate, the viscous time-scale is long (˜10 Myr) so the main evolutionary behaviour for the first Myr of the disc's lifetime is truncation of the disc by photoevaporation, with only modest changes effected by viscosity. We also produce approximate synthetic observations of our models, finding substantial emission from the flow that can explain the CO halo observed about IM Lup out to ≥1000 au. Solutions that are consistent with the extent of the observed CO emission generally imply that IM Lup is still in the process of having its disc outer radius truncated. We conclude that IM Lup is subject to substantial external photoevaporation, which raises the more general possibility that external irradiation of the largest discs can be of significant importance even in low mass star forming regions.

Weak-Lensing Detection of Cl 1604+4304 at z=0.90

NASA Astrophysics Data System (ADS)

Margoniner, V. E.; Lubin, L. M.; Wittman, D. M.; Squires, G. K.

2005-01-01

We present a weak-lensing analysis of the high-redshift cluster Cl 1604+4304. At z=0.90, this is the highest redshift cluster yet detected with weak lensing. It is also one of a sample of high-redshift, optically selected clusters whose X-ray temperatures are lower than expected based on their velocity dispersions. Both the gas temperature and galaxy velocity dispersion are proxies for its mass, which can be determined more directly by a lensing analysis. Modeling the cluster as a singular isothermal sphere, we find that the mass contained within projected radius R is (3.69+/-1.47)[R/(500 kpc)]×1014 Msolar. This corresponds to an inferred velocity dispersion of 1004+/-199 km s-1, which agrees well with the velocity dispersion of 989+98-76 km s-1 recently measured by Gal & Lubin. These numbers are higher than the 575+110-85 km s-1 inferred from Cl 1604+4304's X-ray temperature; however, all three velocity dispersion estimates are consistent within ~1.9 σ.

The DAFT/FADA Survey status and latest results

NASA Astrophysics Data System (ADS)

Guennou, L.

2011-12-01

We present here the latest results obtained from the American French collaboration called the Dark energy American French Team/French American DArk energy Team (DAFT/FADA). The goal of the DAFT/FADA collaboration is to carry out a weak lensing tomography survey of z = 0.4-0.9 rich clusters of galaxies. Unlike supernovae or other methods such as cluster of galaxy counts, weak lensing tomography is purely based on geometry and does not depend on knowledge of the physics of the objects used as distance indicators. In addition, the reason for analyzing observations in the direction of clusters is that the shear signal is enhanced by about 10 over the field. Our work will eventually contain results obtained on 91 rich clusters from the HST archive combined with ground based work to obtain photo-zs. This combination of photo-z and weak lensing tomography will enable us to constrain the equation of state of dark energy. We present here the latest results obtained so far in this study.

Pattern selection and super-patterns in the bounded confidence model

DOE PAGES

Ben-Naim, E.; Scheel, A.

2015-10-26

We study pattern formation in the bounded confidence model of opinion dynamics. In this random process, opinion is quantified by a single variable. Two agents may interact and reach a fair compromise, but only if their difference of opinion falls below a fixed threshold. Starting from a uniform distribution of opinions with compact support, a traveling wave forms and it propagates from the domain boundary into the unstable uniform state. Consequently, the system reaches a steady state with isolated clusters that are separated by distance larger than the interaction range. These clusters form a quasi-periodic pattern where the sizes ofmore » the clusters and the separations between them are nearly constant. We obtain analytically the average separation between clusters L. Interestingly, there are also very small quasi-periodic modulations in the size of the clusters. Furthermore, the spatial periods of these modulations are a series of integers that follow from the continued-fraction representation of the irrational average separation L.« less

Pattern selection and super-patterns in the bounded confidence model

NASA Astrophysics Data System (ADS)

Ben-Naim, E.; Scheel, A.

2015-10-01

We study pattern formation in the bounded confidence model of opinion dynamics. In this random process, opinion is quantified by a single variable. Two agents may interact and reach a fair compromise, but only if their difference of opinion falls below a fixed threshold. Starting from a uniform distribution of opinions with compact support, a traveling wave forms and it propagates from the domain boundary into the unstable uniform state. Consequently, the system reaches a steady state with isolated clusters that are separated by distance larger than the interaction range. These clusters form a quasi-periodic pattern where the sizes of the clusters and the separations between them are nearly constant. We obtain analytically the average separation between clusters L. Interestingly, there are also very small quasi-periodic modulations in the size of the clusters. The spatial periods of these modulations are a series of integers that follow from the continued-fraction representation of the irrational average separation L.

Weak-lensing mass calibration of redMaPPer galaxy clusters in Dark Energy Survey Science Verification data

DOE PAGES

Melchior, P.; Gruen, D.; McClintock, T.; ...

2017-05-16

Here, we use weak-lensing shear measurements to determine the mean mass of optically selected galaxy clusters in Dark Energy Survey Science Verification data. In a blinded analysis, we split the sample of more than 8000 redMaPPer clusters into 15 subsets, spanning ranges in the richness parameter 5 ≤ λ ≤ 180 and redshift 0.2 ≤ z ≤ 0.8, and fit the averaged mass density contrast profiles with a model that accounts for seven distinct sources of systematic uncertainty: shear measurement and photometric redshift errors; cluster-member contamination; miscentring; deviations from the NFW halo profile; halo triaxiality and line-of-sight projections.

Weak-lensing mass calibration of redMaPPer galaxy clusters in Dark Energy Survey Science Verification data

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

Melchior, P.; Gruen, D.; McClintock, T.

Here, we use weak-lensing shear measurements to determine the mean mass of optically selected galaxy clusters in Dark Energy Survey Science Verification data. In a blinded analysis, we split the sample of more than 8000 redMaPPer clusters into 15 subsets, spanning ranges in the richness parameter 5 ≤ λ ≤ 180 and redshift 0.2 ≤ z ≤ 0.8, and fit the averaged mass density contrast profiles with a model that accounts for seven distinct sources of systematic uncertainty: shear measurement and photometric redshift errors; cluster-member contamination; miscentring; deviations from the NFW halo profile; halo triaxiality and line-of-sight projections.

Retrospective Benefit-Cost Evaluation of DOE Investment in Photovoltaic Energy Systems

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

O'Connor, Alan C.; Loomis, Ross J.; Braun, Fern M.

2010-08-01

This study is a retrospective analysis of net benefits accruing from DOE's investment in photovoltaic (PV) technology development. The study employed a technology cluster approach. That is, benefits measured for a subset of technologies in a meaningful cluster, or portfolio, of technologies were compared to the total investment in the cluster to provide a lower bound measure of return for the entire cluster.

Ab Initio Electronic Structure Calculation of [4Fe-3S] Cluster of Hydrogenase as Dihydrogen Dissociation/Production Catalyst

NASA Astrophysics Data System (ADS)

Kim, Jaehyun; Kang, Jiyoung; Nishigami, Hiroshi; Kino, Hiori; Tateno, Masaru

2018-03-01

Hydrogenases catalyze both the dissociation and production of dihydrogen (H2). Most hydrogenases are inactivated rapidly and reactivated slowly (in vitro), in the presence of dioxygen (O2) and H2, respectively. However, membrane-bound [NiFe] hydrogenases (MBHs) sustain their activity even together with O2, which is termed "O2 tolerance". In previous experimental analyses, an MBH was shown to include a hydroxyl ion (OH-) bound to an Fe of the super-oxidized [4Fe-3S]5+ cluster in the proximity of the [NiFe] catalytic cluster. In this study, the functional role of the OH- in the O2 tolerance was investigated by ab initio electronic structure calculation of the [4Fe-3S] proximal cluster. The analysis revealed that the OH- significantly altered the electronic structure, thereby inducing the delocalization of the lowest unoccupied molecular orbital (LUMO) toward the [NiFe] catalytic cluster, which may intermediate the electron transfer between the catalytic and proximal clusters. This can promote the O2-tolerant catalytic cycle in the hydrogenase reaction.

The Mössbauer Parameters of the Proximal Cluster of Membrane-Bound Hydrogenase Revisited: A Density Functional Theory Study.

PubMed

Tabrizi, Shadan Ghassemi; Pelmenschikov, Vladimir; Noodleman, Louis; Kaupp, Martin

2016-01-12

An unprecedented [4Fe-3S] cluster proximal to the regular [NiFe] active site has recently been found to be responsible for the ability of membrane-bound hydrogenases (MBHs) to oxidize dihydrogen in the presence of ambient levels of oxygen. Starting from proximal cluster models of a recent DFT study on the redox-dependent structural transformation of the [4Fe-3S] cluster, (57)Fe Mössbauer parameters (electric field gradients, isomer shifts, and nuclear hyperfine couplings) were calculated using DFT. Our results revise the previously reported correspondence of Mössbauer signals and iron centers in the [4Fe-3S](3+) reduced-state proximal cluster. Similar conflicting assignments are also resolved for the [4Fe-3S](5+) superoxidized state with particular regard to spin-coupling in the broken-symmetry DFT calculations. Calculated (57)Fe hyperfine coupling (HFC) tensors expose discrepancies in the experimental set of HFC tensors and substantiate the need for additional experimental work on the magnetic properties of the MBH proximal cluster in its reduced and superoxidized redox states.

A generalized Lyapunov theory for robust root clustering of linear state space models with real parameter uncertainty

NASA Technical Reports Server (NTRS)

Yedavalli, R. K.

1992-01-01

The problem of analyzing and designing controllers for linear systems subject to real parameter uncertainty is considered. An elegant, unified theory for robust eigenvalue placement is presented for a class of D-regions defined by algebraic inequalities by extending the nominal matrix root clustering theory of Gutman and Jury (1981) to linear uncertain time systems. The author presents explicit conditions for matrix root clustering for different D-regions and establishes the relationship between the eigenvalue migration range and the parameter range. The bounds are all obtained by one-shot computation in the matrix domain and do not need any frequency sweeping or parameter gridding. The method uses the generalized Lyapunov theory for getting the bounds.

Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H2O)1,2 (.).

PubMed

Buytendyk, A M; Buonaugurio, A M; Xu, S-J; Nilles, J M; Bowen, K H; Kirnosov, N; Adamowicz, L

2016-07-14

We report our joint computational and anion photoelectron spectroscopic study of indole-water cluster anions, indole(H2O)1,2 (-). The photoelectron spectra of both cluster anions show the characteristics of dipole-bound anions, and this is confirmed by our theoretical computations. The experimentally determined vertical electron detachment (VDE) energies for indole(H2O)1 (-) and indole(H2O)2 (-) are 144 meV and 251 meV, respectively. The corresponding theoretically determined VDE values for indole(H2O)1 (-) and indole(H2O)2 (-) are 124 meV and 255 meV, respectively. The vibrational features in the photoelectron spectra of these cluster anions are assigned as the vibrations of the water molecule.

Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H2O)1,2-

NASA Astrophysics Data System (ADS)

Buytendyk, A. M.; Buonaugurio, A. M.; Xu, S.-J.; Nilles, J. M.; Bowen, K. H.; Kirnosov, N.; Adamowicz, L.

2016-07-01

We report our joint computational and anion photoelectron spectroscopic study of indole-water cluster anions, indole(H2O)1,2-. The photoelectron spectra of both cluster anions show the characteristics of dipole-bound anions, and this is confirmed by our theoretical computations. The experimentally determined vertical electron detachment (VDE) energies for indole(H2O)1- and indole(H2O)2- are 144 meV and 251 meV, respectively. The corresponding theoretically determined VDE values for indole(H2O)1- and indole(H2O)2- are 124 meV and 255 meV, respectively. The vibrational features in the photoelectron spectra of these cluster anions are assigned as the vibrations of the water molecule.

Existence and uniqueness of weak solutions of the compressible spherically symmetric Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Huang, Xiangdi

2017-02-01

One of the most influential fundamental tools in harmonic analysis is the Riesz transforms. It maps Lp functions to Lp functions for any p ∈ (1 , ∞) which plays an important role in singular operators. As an application in fluid dynamics, the norm equivalence between ‖∇u‖Lp and ‖ div u ‖ Lp +‖ curl u ‖ Lp is well established for p ∈ (1 , ∞). However, since Riesz operators sent bounded functions only to BMO functions, there is no hope to bound ‖∇u‖L∞ in terms of ‖ div u ‖ L∞ +‖ curl u ‖ L∞. As pointed out by Hoff (2006) [11], this is the main obstacle to obtain uniqueness of weak solutions for isentropic compressible flows. Fortunately, based on new observations, see Lemma 2.2, we derive an exact estimate for ‖∇u‖L∞ ≤ (2 + 1 / N)‖ div u ‖ L∞ for any N-dimensional radially symmetric vector functions u. As a direct application, we give an affirmative answer to the open problem of uniqueness of some weak solutions to the compressible spherically symmetric flows in a bounded ball.

A Dissimilarity Measure for Clustering High- and Infinite Dimensional Data that Satisfies the Triangle Inequality

NASA Technical Reports Server (NTRS)

Socolovsky, Eduardo A.; Bushnell, Dennis M. (Technical Monitor)

2002-01-01

The cosine or correlation measures of similarity used to cluster high dimensional data are interpreted as projections, and the orthogonal components are used to define a complementary dissimilarity measure to form a similarity-dissimilarity measure pair. Using a geometrical approach, a number of properties of this pair is established. This approach is also extended to general inner-product spaces of any dimension. These properties include the triangle inequality for the defined dissimilarity measure, error estimates for the triangle inequality and bounds on both measures that can be obtained with a few floating-point operations from previously computed values of the measures. The bounds and error estimates for the similarity and dissimilarity measures can be used to reduce the computational complexity of clustering algorithms and enhance their scalability, and the triangle inequality allows the design of clustering algorithms for high dimensional distributed data.

Search for a gamma-ray line feature from a group of nearby galaxy clusters with Fermi LAT Pass 8 data

NASA Astrophysics Data System (ADS)

Liang, Yun-Feng; Shen, Zhao-Qiang; Li, Xiang; Fan, Yi-Zhong; Huang, Xiaoyuan; Lei, Shi-Jun; Feng, Lei; Liang, En-Wei; Chang, Jin

2016-05-01

Galaxy clusters are the largest gravitationally bound objects in the Universe and may be suitable targets for indirect dark matter searches. With 85 months of Fermi LAT Pass 8 publicly available data, we analyze the gamma-ray emission in the direction of 16 nearby galaxy clusters with an unbinned likelihood analysis. No statistically or globally significant γ -ray line feature is identified and a tentative line signal may present at ˜43 GeV . The 95% confidence level upper limits on the velocity-averaged cross section of dark matter particles annihilating into double γ rays (i.e., ⟨σ v ⟩χχ →γ γ) are derived. Unless very optimistic boost factors of dark matter annihilation in these galaxy clusters have been assumed, such constraints are much weaker than the bounds set by the Galactic γ -ray data.

Derivatized gold clusters and antibody-gold cluster conjugates

DOEpatents

Hainfeld, James F.; Furuya, Frederic R.

1994-11-01

Antibody- or antibody fragment-gold cluster conjugates are shown wherein the conjugate size can be as small as 5.0 nm. Methods and reagents are disclosed in which antibodies, Fab' or F(ab').sub.2 fragments thereof are covalently bound to a stable cluster of gold atoms. The gold clusters may contain 6, 8, 9, 11, 13, 55 or 67 gold atoms in their inner core. The clusters may also contain radioactive gold. The antibody-cluster conjugates are useful in electron microscopy applications as well as in clinical applications that include imaging, diagnosis and therapy.

Hierarchical Cluster Formation in Concentrated Monoclonal Antibody Formulations

NASA Astrophysics Data System (ADS)

Godfrin, P. Douglas; Zarzar, Jonathan; Zarraga, Isidro Dan; Porcar, Lionel; Falus, Peter; Wagner, Norman; Liu, Yun

Reversible cluster formation has been identified as an underlying cause of large solution viscosities observed in some concentrated monoclonal antibody (mAb) formulations. As high solution viscosity prevents the use of subcutaneous injection as a delivery method for some mAbs, a fundamental understanding of the interactions responsible for high viscosities in concentrated mAb solutions is of significant relevance to mAb applications in human health care as well as of intellectual interest. Here, we present a detailed investigation of a well-studied IgG1 based mAb to relate the short time dynamics and microstructure to significant viscosity changes over a range of pharmaceutically relevant physiochemical conditions. Using a combination of experimental techniques, it is found that upon adding Na2SO4, these antibodies dimerize in solution. Proteins form strongly bounded reversible dimers at dilute concentrations that, when concentrated, interact with each other to form loosely bounded, large, transient clusters. The combined effect of forming strongly bounded dimers and a large transient network is a significant increase in the solution viscosity. Strongly bounded, reversible dimers may exist in many IgG1 based mAb systems such that these results contribute to a more comprehensive understanding of the physical mechanisms producing high viscosities in concentrated protein solutions.

Chemotaxis with logistic source

NASA Astrophysics Data System (ADS)

Winkler, Michael

2008-12-01

We consider the chemotaxis system in a smooth bounded domain , where [chi]>0 and g generalizes the logistic function g(u)=Au-bu[alpha] with [alpha]>1, A[greater-or-equal, slanted]0 and b>0. A concept of very weak solutions is introduced, and global existence of such solutions for any nonnegative initial data u0[set membership, variant]L1([Omega]) is proved under the assumption that . Moreover, boundedness properties of the constructed solutions are studied. Inter alia, it is shown that if b is sufficiently large and u0[set membership, variant]L[infinity]([Omega]) has small norm in L[gamma]([Omega]) for some then the solution is globally bounded. Finally, in the case that additionally holds, a bounded set in L[infinity]([Omega]) can be found which eventually attracts very weak solutions emanating from arbitrary L1 initial data. The paper closes with numerical experiments that illustrate some of the theoretically established results.

Synchronization of Coupled Dynamical Systems: Tolerance to Weak Connectivity and Arbitrarily Bounded Time-Varying Delays

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

Meng, Ziyang; Yang, Tao; Li, Guoqi

Here, we study synchronization of coupled linear systems over networks with weak connectivity and nonuniform time-varying delays. We focus on the case where the internal dynamics are time-varying but non-expansive (stable dynamics with a quadratic Lyapunov function). Both uniformly jointly connected and infinitely jointly connected communication topologies are considered. A new concept of quadratic synchronization is introduced. We first show that global asymptotic quadratic synchronization can be achieved over directed networks with uniform joint connectivity and arbitrarily bounded delays. We then study the case of infinitely jointly connected communication topology. In particular, for the undirected communication topologies, it turns outmore » that the existence of a uniform time interval for the jointly connected communication topology is not necessary and quadratic synchronization can be achieved when the time-varying nonuniform delays are arbitrarily bounded. Finally, simulation results are provided to validate the theoretical results.« less

Synchronization of Coupled Dynamical Systems: Tolerance to Weak Connectivity and Arbitrarily Bounded Time-Varying Delays

DOE PAGES

Meng, Ziyang; Yang, Tao; Li, Guoqi; ...

2017-09-18

Here, we study synchronization of coupled linear systems over networks with weak connectivity and nonuniform time-varying delays. We focus on the case where the internal dynamics are time-varying but non-expansive (stable dynamics with a quadratic Lyapunov function). Both uniformly jointly connected and infinitely jointly connected communication topologies are considered. A new concept of quadratic synchronization is introduced. We first show that global asymptotic quadratic synchronization can be achieved over directed networks with uniform joint connectivity and arbitrarily bounded delays. We then study the case of infinitely jointly connected communication topology. In particular, for the undirected communication topologies, it turns outmore » that the existence of a uniform time interval for the jointly connected communication topology is not necessary and quadratic synchronization can be achieved when the time-varying nonuniform delays are arbitrarily bounded. Finally, simulation results are provided to validate the theoretical results.« less

The relative impact of baryons and cluster shape on weak lensing mass estimates of galaxy clusters

NASA Astrophysics Data System (ADS)

Lee, B. E.; Le Brun, A. M. C.; Haq, M. E.; Deering, N. J.; King, L. J.; Applegate, D.; McCarthy, I. G.

2018-05-01

Weak gravitational lensing depends on the integrated mass along the line of sight. Baryons contribute to the mass distribution of galaxy clusters and the resulting mass estimates from lensing analysis. We use the cosmo-OWLS suite of hydrodynamic simulations to investigate the impact of baryonic processes on the bias and scatter of weak lensing mass estimates of clusters. These estimates are obtained by fitting NFW profiles to mock data using MCMC techniques. In particular, we examine the difference in estimates between dark matter-only runs and those including various prescriptions for baryonic physics. We find no significant difference in the mass bias when baryonic physics is included, though the overall mass estimates are suppressed when feedback from AGN is included. For lowest-mass systems for which a reliable mass can be obtained (M200 ≈ 2 × 1014M⊙), we find a bias of ≈-10 per cent. The magnitude of the bias tends to decrease for higher mass clusters, consistent with no bias for the most massive clusters which have masses comparable to those found in the CLASH and HFF samples. For the lowest mass clusters, the mass bias is particularly sensitive to the fit radii and the limits placed on the concentration prior, rendering reliable mass estimates difficult. The scatter in mass estimates between the dark matter-only and the various baryonic runs is less than between different projections of individual clusters, highlighting the importance of triaxiality.

Next Generation Virgo Cluster Survey. XXI. The Weak Lensing Masses of the CFHTLS and NGVS RedGOLD Galaxy Clusters and Calibration of the Optical Richness

NASA Astrophysics Data System (ADS)

Parroni, Carolina; Mei, Simona; Erben, Thomas; Van Waerbeke, Ludovic; Raichoor, Anand; Ford, Jes; Licitra, Rossella; Meneghetti, Massimo; Hildebrandt, Hendrik; Miller, Lance; Côté, Patrick; Covone, Giovanni; Cuillandre, Jean-Charles; Duc, Pierre-Alain; Ferrarese, Laura; Gwyn, Stephen D. J.; Puzia, Thomas H.

2017-10-01

We measured stacked weak lensing cluster masses for a sample of 1323 galaxy clusters detected by the RedGOLD algorithm in the Canada-France-Hawaii Telescope Legacy Survey W1 and the Next Generation Virgo Cluster Survey at 0.2< z< 0.5, in the optical richness range 10< λ < 70. This is the most comprehensive lensing study of a ˜ 100 % complete and ˜ 80 % pure optical cluster catalog in this redshift range. We test different mass models, and our final model includes a basic halo model with a Navarro Frenk and White profile, as well as correction terms that take into account cluster miscentering, non-weak shear, the two-halo term, the contribution of the Brightest Cluster Galaxy, and an a posteriori correction for the intrinsic scatter in the mass-richness relation. With this model, we obtain a mass-richness relation of {log}{M}200/{M}⊙ =(14.46+/- 0.02)+(1.04+/- 0.09){log}(λ /40) (statistical uncertainties). This result is consistent with other published lensing mass-richness relations. We give the coefficients of the scaling relations between the lensing mass and X-ray mass proxies, L X and T X, and compare them with previous results. When compared to X-ray masses and mass proxies, our results are in agreement with most previous results and simulations, and consistent with the expected deviations from self-similarity.

Fitness and Adiposity Are Independently Associated with Cardiometabolic Risk in Youth

PubMed Central

Buchan, Duncan S.; Young, John D.; Boddy, Lynne M.; Malina, Robert M.; Baker, Julien S.

2013-01-01

Purpose. The purpose of the study was to examine the independent associations of adiposity and cardiorespiratory fitness with clustered cardiometabolic risk. Methods. A cross-sectional sample of 192 adolescents (118 boys), aged 14–16 years, was recruited from a South Lanarkshire school in the West of Scotland. Anthropometry and blood pressure were measured, and blood samples were taken. The 20 m multistage fitness test was the indicator of cardiorespiratory fitness (CRF). A clustered cardiometabolic risk score was constructed from HDL-C (inverted), LDL-C, HOMA, systolic blood pressure, and triglycerides. Interleukin-6, C-reactive protein, and adiponectin were also measured and examined relative to the clustered cardiometabolic risk score, CRF, and adiposity. Results. Although significant, partial correlations between BMI and waist circumference (WC) and both CRF and adiponectin were negative and weak to moderate, while correlations between the BMI and WC and CRP were positive but weak to moderate. Weak to moderate negative associations were also evident for adiponectin with CRP, IL-6, and clustered cardiometabolic risk. WC was positively associated while CRF was negatively associated with clustered cardiometabolic risk. With the additional adjustment for either WC or CRF, the independent associations with cardiometabolic risk persisted. Conclusion. WC and CRF are independently associated with clustered cardiometabolic risk in Scottish adolescents. PMID:23984329

Quantum mechanical characterization of the He4ICl weakly bound complex.

PubMed

Valdés, Álvaro; Prosmiti, Rita

2013-08-15

Vibrational calculations are performed for the 12-dimensional He4ICl van der Waals complex using the multiconfiguration time-dependent Hartree (MCTDH) method. The potential energy surface of the cluster is represented as a sum of the triatomic He-ICl ab initio parametrized terms plus the He-He interactions. The topology of the potential presents higher anisotropy compared to the one with a homonuclear dopant, and this is clearly reflected in the structure and energetics of the low-lying conformers of the system. In order to take advantage of the MCTDH method, natural potential fits are employed for the potential energy operator, and also, a mode combination scheme is introduced in order to speed up the computations. Zero-point energy, binding energies, and vibrationally averaged structures of different isomers of the He4ICl cluster are obtained. The present results predict that the (3,1,0) structure, involving three He atoms in the near T-shaped and one He atom in the linear configurations, to be the most stable one in accord with recent experimental findings. Comparisons with previous theoretical and experimental data are presented, and the stability of the high-order conformers is discussed in connection with the multiple minima (global and local) of the underlying potential surface.

Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.

PubMed

Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A

2015-09-02

To assess the impact of terminal ligand binding on a variety of cluster properties (redox delocalization, ground-state stabilization, and breadth of redox state accessibility), we prepared three electron-transfer series based on the hexanuclear iron cluster [((H)L)2Fe6(L')m](n+) in which the terminal ligand field strength was modulated from weak to strong (L' = DMF, MeCN, CN). The extent of intracore M-M interactions is gauged by M-M distances, spin ground state persistence, and preference for mixed-valence states as determined by electrochemical comproportionation constants. Coordination of DMF to the [((H)L)2Fe6] core leads to weaker Fe-Fe interactions, as manifested by the observation of ground states populated only at lower temperatures (<100 K) and by the greater evidence of valence trapping within the mixed-valence states. Comproportionation constants determined electrochemically (Kc = 10(4)-10(8)) indicate that the redox series exhibits electronic delocalization (class II-III), yet no intervalence charge transfer (IVCT) bands are observable in the near-IR spectra. Ligation of the stronger σ donor acetonitrile results in stabilization of spin ground states to higher temperatures (∼300 K) and a high degree of valence delocalization (Kc = 10(2)-10(8)) with observable IVCT bands. Finally, the anionic cyanide-bound series reveals the highest degree of valence delocalization with the most intense IVCT bands (Kc = 10(12)-10(20)) and spin ground state population beyond room temperature. Across the series, at a given formal oxidation level, the capping ligand on the hexairon cluster dictates the overall properties of the aggregate, modulating the redox delocalization and the persistence of the intracore coupling of the metal sites.

Gateways, Not Gatekeepers

ERIC Educational Resources Information Center

Murray, Linda

2012-01-01

In its analysis of more than 15,000 high school transcripts, the Education Trust-West found that non-college-bound students tend to take a weak academic load and disconnected electives. As a result, far too many students--most often low-income students and students of color--are bound for low-level jobs, prepared for neither college nor career.…

Consensus of satellite cluster flight using an energy-matching optimal control method

NASA Astrophysics Data System (ADS)

Luo, Jianjun; Zhou, Liang; Zhang, Bo

2017-11-01

This paper presents an optimal control method for consensus of satellite cluster flight under a kind of energy matching condition. Firstly, the relation between energy matching and satellite periodically bounded relative motion is analyzed, and the satellite energy matching principle is applied to configure the initial conditions. Then, period-delayed errors are adopted as state variables to establish the period-delayed errors dynamics models of a single satellite and the cluster. Next a novel satellite cluster feedback control protocol with coupling gain is designed, so that the satellite cluster periodically bounded relative motion consensus problem (period-delayed errors state consensus problem) is transformed to the stability of a set of matrices with the same low dimension. Based on the consensus region theory in the research of multi-agent system consensus issues, the coupling gain can be obtained to satisfy the requirement of consensus region and decouple the satellite cluster information topology and the feedback control gain matrix, which can be determined by Linear quadratic regulator (LQR) optimal method. This method can realize the consensus of satellite cluster period-delayed errors, leading to the consistency of semi-major axes (SMA) and the energy-matching of satellite cluster. Then satellites can emerge the global coordinative cluster behavior. Finally the feasibility and effectiveness of the present energy-matching optimal consensus for satellite cluster flight is verified through numerical simulations.

Mass calibration of galaxy clusters at redshift 0.1–1.0 using weak lensing in the Sloan Digital Sky Survey Stripe 82 co-add

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

Wiesner, Matthew P.; Lin, Huan; Soares-Santos, Marcelle

We present galaxy cluster mass–richness relations found in the Sloan Digital Sky Survey Stripe 82 co-add using clusters found using a Voronoi tessellation cluster finder. These relations were found using stacked weak lensing shear observed in a large sample of galaxy clusters. These mass–richness relations are presented for four redshift bins, 0.1 < z ≤ 0.4, 0.4 < z ≤ 0.7, 0.7 < z ≤ 1.0 and 0.1 < z ≤ 1.0. We describe the sample of galaxy clusters and explain how these clusters were found using a Voronoi tessellation cluster finder. We fit a Navarro-Frenk-White profile to the stackedmore » weak lensing shear signal in redshift and richness bins in order to measure virial mass (M 200). We describe several effects that can bias weak lensing measurements, including photometric redshift bias, the effect of the central BCG, halo miscentering, photometric redshift uncertainty and foreground galaxy contamination. We present mass–richness relations using richness measure N VT with each of these effects considered separately as well as considered altogether. We also examine redshift evolution of the mass–richness relation. As a result, we present measurements of the mass coefficient (M 200|20) and the power-law slope (α) for power-law fits to the mass and richness values in each of the redshift bins. We find values of the mass coefficient of 8.49 ± 0.526, 14.1 ± 1.78, 30.2 ± 8.74 and 9.23 ± 0.525 × 10 13 h –1 M ⊙ for each of the four redshift bins, respectively. As a result, we find values of the power-law slope of 0.905 ± 0.0585, 0.948 ± 0.100, 1.33 ± 0.260 and 0.883 ± 0.0500, respectively.« less

Mass calibration of galaxy clusters at redshift 0.1–1.0 using weak lensing in the Sloan Digital Sky Survey Stripe 82 co-add

DOE PAGES

Wiesner, Matthew P.; Lin, Huan; Soares-Santos, Marcelle

2015-07-08

We present galaxy cluster mass–richness relations found in the Sloan Digital Sky Survey Stripe 82 co-add using clusters found using a Voronoi tessellation cluster finder. These relations were found using stacked weak lensing shear observed in a large sample of galaxy clusters. These mass–richness relations are presented for four redshift bins, 0.1 < z ≤ 0.4, 0.4 < z ≤ 0.7, 0.7 < z ≤ 1.0 and 0.1 < z ≤ 1.0. We describe the sample of galaxy clusters and explain how these clusters were found using a Voronoi tessellation cluster finder. We fit a Navarro-Frenk-White profile to the stackedmore » weak lensing shear signal in redshift and richness bins in order to measure virial mass (M 200). We describe several effects that can bias weak lensing measurements, including photometric redshift bias, the effect of the central BCG, halo miscentering, photometric redshift uncertainty and foreground galaxy contamination. We present mass–richness relations using richness measure N VT with each of these effects considered separately as well as considered altogether. We also examine redshift evolution of the mass–richness relation. As a result, we present measurements of the mass coefficient (M 200|20) and the power-law slope (α) for power-law fits to the mass and richness values in each of the redshift bins. We find values of the mass coefficient of 8.49 ± 0.526, 14.1 ± 1.78, 30.2 ± 8.74 and 9.23 ± 0.525 × 10 13 h –1 M ⊙ for each of the four redshift bins, respectively. As a result, we find values of the power-law slope of 0.905 ± 0.0585, 0.948 ± 0.100, 1.33 ± 0.260 and 0.883 ± 0.0500, respectively.« less

Weak-lensing mass calibration of redMaPPer galaxy clusters in Dark Energy Survey Science Verification data

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

Melchior, P.; Gruen, D.; McClintock, T.

We use weak-lensing shear measurements to determine the mean mass of optically selected galaxy clusters in Dark Energy Survey Science Verification data. In a blinded analysis, we split the sample of more than 8,000 redMaPPer clusters into 15 subsets, spanning ranges in the richness parametermore » $$5 \\leq \\lambda \\leq 180$$ and redshift $$0.2 \\leq z \\leq 0.8$$, and fit the averaged mass density contrast profiles with a model that accounts for seven distinct sources of systematic uncertainty: shear measurement and photometric redshift errors; cluster-member contamination; miscentering; deviations from the NFW halo profile; halo triaxiality; and line-of-sight projections. We combine the inferred cluster masses to estimate the joint scaling relation between mass, richness and redshift, $$\\mathcal{M}(\\lambda,z) \\varpropto M_0 \\lambda^{F} (1+z)^{G}$$. We find $$M_0 \\equiv \\langle M_{200\\mathrm{m}}\\,|\\,\\lambda=30,z=0.5\\rangle=\\left[ 2.35 \\pm 0.22\\ \\rm{(stat)} \\pm 0.12\\ \\rm{(sys)} \\right] \\cdot 10^{14}\\ M_\\odot$$, with $$F = 1.12\\,\\pm\\,0.20\\ \\rm{(stat)}\\, \\pm\\, 0.06\\ \\rm{(sys)}$$ and $$G = 0.18\\,\\pm\\, 0.75\\ \\rm{(stat)}\\, \\pm\\, 0.24\\ \\rm{(sys)}$$. The amplitude of the mass-richness relation is in excellent agreement with the weak-lensing calibration of redMaPPer clusters in SDSS by Simet et al. (2016) and with the Saro et al. (2015) calibration based on abundance matching of SPT-detected clusters. Our results extend the redshift range over which the mass-richness relation of redMaPPer clusters has been calibrated with weak lensing from $$z\\leq 0.3$$ to $$z\\leq0.8$$. Calibration uncertainties of shear measurements and photometric redshift estimates dominate our systematic error budget and require substantial improvements for forthcoming studies.« less

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

Azunre, P.

Here in this paper, two novel techniques for bounding the solutions of parametric weakly coupled second-order semilinear parabolic partial differential equations are developed. The first provides a theorem to construct interval bounds, while the second provides a theorem to construct lower bounds convex and upper bounds concave in the parameter. The convex/concave bounds can be significantly tighter than the interval bounds because of the wrapping effect suffered by interval analysis in dynamical systems. Both types of bounds are computationally cheap to construct, requiring solving auxiliary systems twice and four times larger than the original system, respectively. An illustrative numerical examplemore » of bound construction and use for deterministic global optimization within a simple serial branch-and-bound algorithm, implemented numerically using interval arithmetic and a generalization of McCormick's relaxation technique, is presented. Finally, problems within the important class of reaction-diffusion systems may be optimized with these tools.« less

Weak lensing study of 16 DAFT/FADA clusters: Substructures and filaments

NASA Astrophysics Data System (ADS)

Martinet, Nicolas; Clowe, Douglas; Durret, Florence; Adami, Christophe; Acebrón, Ana; Hernandez-García, Lorena; Márquez, Isabel; Guennou, Loic; Sarron, Florian; Ulmer, Mel

2016-05-01

While our current cosmological model places galaxy clusters at the nodes of a filament network (the cosmic web), we still struggle to detect these filaments at high redshifts. We perform a weak lensing study for a sample of 16 massive, medium-high redshift (0.4

The Projected Dark and Baryonic Ellipsoidal Structure of 20 CLASH Galaxy Clusters

NASA Astrophysics Data System (ADS)

Umetsu, Keiichi; Sereno, Mauro; Tam, Sut-Ieng; Chiu, I.-Non; Fan, Zuhui; Ettori, Stefano; Gruen, Daniel; Okumura, Teppei; Medezinski, Elinor; Donahue, Megan; Meneghetti, Massimo; Frye, Brenda; Koekemoer, Anton; Broadhurst, Tom; Zitrin, Adi; Balestra, Italo; Benítez, Narciso; Higuchi, Yuichi; Melchior, Peter; Mercurio, Amata; Merten, Julian; Molino, Alberto; Nonino, Mario; Postman, Marc; Rosati, Piero; Sayers, Jack; Seitz, Stella

2018-06-01

We reconstruct the two-dimensional (2D) matter distributions in 20 high-mass galaxy clusters selected from the CLASH survey by using the new approach of performing a joint weak gravitational lensing analysis of 2D shear and azimuthally averaged magnification measurements. This combination allows for a complete analysis of the field, effectively breaking the mass-sheet degeneracy. In a Bayesian framework, we simultaneously constrain the mass profile and morphology of each individual cluster, assuming an elliptical Navarro–Frenk–White halo characterized by the mass, concentration, projected axis ratio, and position angle (PA) of the projected major axis. We find that spherical mass estimates of the clusters from azimuthally averaged weak-lensing measurements in previous work are in excellent agreement with our results from a full 2D analysis. Combining all 20 clusters in our sample, we detect the elliptical shape of weak-lensing halos at the 5σ significance level within a scale of 2 {Mpc} {h}-1. The median projected axis ratio is 0.67 ± 0.07 at a virial mass of {M}vir}=(15.2+/- 2.8)× {10}14 {M}ȯ , which is in agreement with theoretical predictions from recent numerical simulations of the standard collisionless cold dark matter model. We also study misalignment statistics of the brightest cluster galaxy, X-ray, thermal Sunyaev–Zel’dovich effect, and strong-lensing morphologies with respect to the weak-lensing signal. Among the three baryonic tracers studied here, we find that the X-ray morphology is best aligned with the weak-lensing mass distribution, with a median misalignment angle of | {{Δ }}{PA}| =21^\\circ +/- 7^\\circ . We also conduct a stacked quadrupole shear analysis of the 20 clusters assuming that the X-ray major axis is aligned with that of the projected mass distribution. This yields a consistent axis ratio of 0.67 ± 0.10, suggesting again a tight alignment between the intracluster gas and dark matter. Based in part on data collected at the Subaru Telescope, which is operated by the National Astronomical Society of Japan.

Seven Sisters Get WISE

NASA Image and Video Library

2010-07-16

This image shows the famous Pleiades cluster of stars as seen through the eyes of NASA Wide-field Infrared Survey Explorer; they are what astronomers call an open cluster of stars, loosely bound to each other to eventually go their separate ways.

Azole affinity of sterol 14α-demethylase (CYP51) enzymes from Candida albicans and Homo sapiens.

PubMed

Warrilow, Andrew G; Parker, Josie E; Kelly, Diane E; Kelly, Steven L

2013-03-01

Candida albicans CYP51 (CaCYP51) (Erg11), full-length Homo sapiens CYP51 (HsCYP51), and truncated Δ60HsCYP51 were expressed in Escherichia coli and purified to homogeneity. CaCYP51 and both HsCYP51 enzymes bound lanosterol (K(s), 14 to 18 μM) and catalyzed the 14α-demethylation of lanosterol using Homo sapiens cytochrome P450 reductase and NADPH as redox partners. Both HsCYP51 enzymes bound clotrimazole, itraconazole, and ketoconazole tightly (dissociation constants [K(d)s], 42 to 131 nM) but bound fluconazole (K(d), ~30,500 nM) and voriconazole (K(d), ~2,300 nM) weakly, whereas CaCYP51 bound all five medical azole drugs tightly (K(d)s, 10 to 56 nM). Selectivity for CaCYP51 over HsCYP51 ranged from 2-fold (clotrimazole) to 540-fold (fluconazole) among the medical azoles. In contrast, selectivity for CaCYP51 over Δ60HsCYP51 with agricultural azoles ranged from 3-fold (tebuconazole) to 9-fold (propiconazole). Prothioconazole bound extremely weakly to CaCYP51 and Δ60HsCYP51, producing atypical type I UV-visible difference spectra (K(d)s, 6,100 and 910 nM, respectively), indicating that binding was not accomplished through direct coordination with the heme ferric ion. Prothioconazole-desthio (the intracellular derivative of prothioconazole) bound tightly to both CaCYP51 and Δ60HsCYP51 (K(d), ~40 nM). These differences in binding affinities were reflected in the observed 50% inhibitory concentration (IC(50)) values, which were 9- to 2,000-fold higher for Δ60HsCYP51 than for CaCYP51, with the exception of tebuconazole, which strongly inhibited both CYP51 enzymes. In contrast, prothioconazole weakly inhibited CaCYP51 (IC(50), ~150 μM) and did not significantly inhibit Δ60HsCYP51.

A large sample of shear-selected clusters from the Hyper Suprime-Cam Subaru Strategic Program S16A Wide field mass maps

NASA Astrophysics Data System (ADS)

Miyazaki, Satoshi; Oguri, Masamune; Hamana, Takashi; Shirasaki, Masato; Koike, Michitaro; Komiyama, Yutaka; Umetsu, Keiichi; Utsumi, Yousuke; Okabe, Nobuhiro; More, Surhud; Medezinski, Elinor; Lin, Yen-Ting; Miyatake, Hironao; Murayama, Hitoshi; Ota, Naomi; Mitsuishi, Ikuyuki

2018-01-01

We present the result of searching for clusters of galaxies based on weak gravitational lensing analysis of the ˜160 deg2 area surveyed by Hyper Suprime-Cam (HSC) as a Subaru Strategic Program. HSC is a new prime focus optical imager with a 1.5°-diameter field of view on the 8.2 m Subaru telescope. The superb median seeing on the HSC i-band images of 0.56" allows the reconstruction of high angular resolution mass maps via weak lensing, which is crucial for the weak lensing cluster search. We identify 65 mass map peaks with a signal-to-noise (S/N) ratio larger than 4.7, and carefully examine their properties by cross-matching the clusters with optical and X-ray cluster catalogs. We find that all the 39 peaks with S/N > 5.1 have counterparts in the optical cluster catalogs, and only 2 out of the 65 peaks are probably false positives. The upper limits of X-ray luminosities from the ROSAT All Sky Survey (RASS) imply the existence of an X-ray underluminous cluster population. We show that the X-rays from the shear-selected clusters can be statistically detected by stacking the RASS images. The inferred average X-ray luminosity is about half that of the X-ray-selected clusters of the same mass. The radial profile of the dark matter distribution derived from the stacking analysis is well modeled by the Navarro-Frenk-White profile with a small concentration parameter value of c500 ˜ 2.5, which suggests that the selection bias on the orientation or the internal structure for our shear-selected cluster sample is not strong.

Beam Design and User Scheduling for Nonorthogonal Multiple Access With Multiple Antennas Based on Pareto Optimality

NASA Astrophysics Data System (ADS)

Seo, Junyeong; Sung, Youngchul

2018-06-01

In this paper, an efficient transmit beam design and user scheduling method is proposed for multi-user (MU) multiple-input single-output (MISO) non-orthogonal multiple access (NOMA) downlink, based on Pareto-optimality. The proposed beam design and user scheduling method groups simultaneously-served users into multiple clusters with practical two users in each cluster, and then applies spatical zeroforcing (ZF) across clusters to control inter-cluster interference (ICI) and Pareto-optimal beam design with successive interference cancellation (SIC) to two users in each cluster to remove interference to strong users and leverage signal-to-interference-plus-noise ratios (SINRs) of interference-experiencing weak users. The proposed method has flexibility to control the rates of strong and weak users and numerical results show that the proposed method yields good performance.

The dynamics of aloof baby Skyrmions

DOE PAGES

Salmi, Petja; Sutcliffe, Paul

2016-01-25

The aloof baby Skyrme model is a (2+1)-dimensional theory with solitons that are lightly bound. It is a low-dimensional analogue of a similar Skyrme model in (3+1)- dimensions, where the lightly bound solitons have binding energies comparable to nuclei. A previous study of static solitons in the aloof baby Skyrme model revealed that multi-soliton bound states have a cluster structure, with constituents that preserve their individual identities due to the short-range repulsion and long-range attraction between solitons. Furthermore, there are many different local energy minima that are all well-described by a simple binary species particle model. In this paper wemore » present the first results on soliton dynamics in the aloof baby Skyrme model. Numerical field theory simulations reveal that the lightly bound cluster structure results in a variety of exotic soliton scattering events that are novel in comparison to standard Skyrmion scattering. A dynamical version of the binary species point particle model is shown to provide a good qualitative description of the dynamics.« less

The dynamics of aloof baby Skyrmions

NASA Astrophysics Data System (ADS)

Salmi, Petja; Sutcliffe, Paul

2016-01-01

The aloof baby Skyrme model is a (2+1)-dimensional theory with solitons that are lightly bound. It is a low-dimensional analogue of a similar Skyrme model in (3+1)-dimensions, where the lightly bound solitons have binding energies comparable to nuclei. A previous study of static solitons in the aloof baby Skyrme model revealed that multi-soliton bound states have a cluster structure, with constituents that preserve their individual identities due to the short-range repulsion and long-range attraction between solitons. Furthermore, there are many different local energy minima that are all well-described by a simple binary species particle model. In this paper we present the first results on soliton dynamics in the aloof baby Skyrme model. Numerical field theory simulations reveal that the lightly bound cluster structure results in a variety of exotic soliton scattering events that are novel in comparison to standard Skyrmion scattering. A dynamical version of the binary species point particle model is shown to provide a good qualitative description of the dynamics.

Dynamics of 17F + 58Ni reaction via complete and incomplete fusion processes at above barrier energies

NASA Astrophysics Data System (ADS)

Grover, Neha; Sandhu, Kirandeep; Sharma, Manoj K.

2018-06-01

The dynamics of 17F + 58Ni reaction induced via a loosely bound projectile (17F) is examined using the collective clusterization approach of the dynamical cluster decay model (DCM) with respect to the recent experimental data available at beam energies Ebeam = 54.1 and 58.5 MeV. The calculations are done for quadrupole deformations of fragments using the optimum orientation approach. In view of the loosely bound nature of 17F, the main focus of the present work is on the comparison of complete and incomplete fusion. It is studied using various components such as fragmentation potential, mass distribution, and barrier modification. Different decay modes (ER, IMF, HMF, and fission) are also compared to determine the complete fusion and incomplete fusion paths. Additionally, the decay paths of the nucleus formed from loosely bound (17F) and tightly bound (16O) projectiles are compared. Furthermore, the role of temperature-dependent pairing strength is analyzed in terms of the binary fragmentation of the compound system formed.

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

Salmi, Petja; Sutcliffe, Paul

The aloof baby Skyrme model is a (2+1)-dimensional theory with solitons that are lightly bound. It is a low-dimensional analogue of a similar Skyrme model in (3+1)- dimensions, where the lightly bound solitons have binding energies comparable to nuclei. A previous study of static solitons in the aloof baby Skyrme model revealed that multi-soliton bound states have a cluster structure, with constituents that preserve their individual identities due to the short-range repulsion and long-range attraction between solitons. Furthermore, there are many different local energy minima that are all well-described by a simple binary species particle model. In this paper wemore » present the first results on soliton dynamics in the aloof baby Skyrme model. Numerical field theory simulations reveal that the lightly bound cluster structure results in a variety of exotic soliton scattering events that are novel in comparison to standard Skyrmion scattering. A dynamical version of the binary species point particle model is shown to provide a good qualitative description of the dynamics.« less

Weak gravity conjecture as a razor criterium for exotic D-brane instantons

NASA Astrophysics Data System (ADS)

Addazi, Andrea

2017-01-01

We discuss implications of weak gravity conjecture (WGC) for exotic D-brane instantons. In particular, WGC leads to indirect stringent bounds on non-perturbative superpotentials generated by exotic instantons with many implications for phenomenology: R-parity violating processes, neutrino mass, μ-problem, neutron-antineutron transitions and collider physics.

Effect of carbonaceous soil amendments on potential mobility of weak acid herbicides in soil

USDA-ARS?s Scientific Manuscript database

Use of carbonaceous amendments in soil has been proposed to decrease potential offsite transport of weak acid herbicides and metabolites by increasing their sorption to soil. The effects of organic olive mill waste, biochars from different feed stocks, and humic acid bound to clay on sorption of MCP...

Cellular conditions of weakly chelated magnesium ions strongly promote RNA stability and catalysis.

PubMed

Yamagami, Ryota; Bingaman, Jamie L; Frankel, Erica A; Bevilacqua, Philip C

2018-06-01

Most RNA folding studies have been performed under non-physiological conditions of high concentrations (≥10 mM) of Mg 2+ free , while actual cellular concentrations of Mg 2+ free are only ~1 mM in a background of greater than 50 mM Mg 2+ total . To uncover cellular behavior of RNA, we devised cytoplasm mimic systems that include biological concentrations of amino acids, which weakly chelate Mg 2+ . Amino acid-chelated Mg 2+ (aaCM) of ~15 mM dramatically increases RNA folding and prevents RNA degradation. Furthermore, aaCM enhance self-cleavage of several different ribozymes, up to 100,000-fold at Mg 2+ free of just 0.5 mM, indirectly through RNA compaction. Other metabolites that weakly chelate magnesium offer similar beneficial effects, which implies chelated magnesium may enhance RNA function in the cell in the same way. Overall, these results indicate that the states of Mg 2+ should not be limited to free and bound only, as weakly bound Mg 2+ strongly promotes RNA function under cellular conditions.

CLASH: COMPLETE LENSING ANALYSIS OF THE LARGEST COSMIC LENS MACS J0717.5+3745 AND SURROUNDING STRUCTURES

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

Medezinski, Elinor; Lemze, Doron; Ford, Holland

2013-11-01

The galaxy cluster MACS J0717.5+3745 (z = 0.55) is the largest known cosmic lens, with complex internal structures seen in deep X-ray, Sunyaev-Zel'dovich effect, and dynamical observations. We perform a combined weak- and strong-lensing analysis with wide-field BVR{sub c} i'z' Subaru/Suprime-Cam observations and 16-band Hubble Space Telescope observations taken as part of the Cluster Lensing And Supernova survey with Hubble. We find consistent weak distortion and magnification measurements of background galaxies and combine these signals to construct an optimally estimated radial mass profile of the cluster and its surrounding large-scale structure out to 5 Mpc h {sup –1}. We findmore » consistency between strong-lensing and weak-lensing in the region where these independent data overlap, <500 kpc h {sup –1}. The two-dimensional weak-lensing map reveals a clear filamentary structure traced by distinct mass halos. We model the lensing shear field with nine halos, including the main cluster, corresponding to mass peaks detected above 2.5σ{sub κ}. The total mass of the cluster as determined by the different methods is M{sub vir} ≈ (2.8 ± 0.4) × 10{sup 15} M{sub ☉}. Although this is the most massive cluster known at z > 0.5, in terms of extreme value statistics, we conclude that the mass of MACS J0717.5+3745 by itself is not in serious tension with ΛCDM, representing only a ∼2σ departure above the maximum simulated halo mass at this redshift.« less

Bounds for the Z-spectral radius of nonnegative tensors.

PubMed

He, Jun; Liu, Yan-Min; Ke, Hua; Tian, Jun-Kang; Li, Xiang

2016-01-01

In this paper, we have proposed some new upper bounds for the largest Z-eigenvalue of an irreducible weakly symmetric and nonnegative tensor, which improve the known upper bounds obtained in Chang et al. (Linear Algebra Appl 438:4166-4182, 2013), Song and Qi (SIAM J Matrix Anal Appl 34:1581-1595, 2013), He and Huang (Appl Math Lett 38:110-114, 2014), Li et al. (J Comput Anal Appl 483:182-199, 2015), He (J Comput Anal Appl 20:1290-1301, 2016).

Determining modes for the 3D Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Cheskidov, Alexey; Dai, Mimi; Kavlie, Landon

2018-07-01

We introduce a determining wavenumber for the forced 3D Navier-Stokes equations (NSE) defined for each individual solution. Even though this wavenumber blows up if the solution blows up, its time average is uniformly bounded for all solutions on the weak global attractor. The bound is compared to Kolmogorov's dissipation wavenumber and the Grashof constant.

Derivatized gold clusters and antibody-gold cluster conjugates

DOEpatents

Hainfeld, J.F.; Furuya, F.R.

1994-11-01

Antibody- or antibody fragment-gold cluster conjugates are shown wherein the conjugate size can be as small as 5.0 nm. Methods and reagents are disclosed in which antibodies, Fab' or F(ab')[sub 2] fragments are covalently bound to a stable cluster of gold atoms. The gold clusters may contain 6, 8, 9, 11, 13, 55 or 67 gold atoms in their inner core. The clusters may also contain radioactive gold. The antibody-cluster conjugates are useful in electron microscopy applications as well as in clinical applications that include imaging, diagnosis and therapy. 7 figs.

Attenuated coupled cluster: a heuristic polynomial similarity transformation incorporating spin symmetry projection into traditional coupled cluster theory

NASA Astrophysics Data System (ADS)

Gomez, John A.; Henderson, Thomas M.; Scuseria, Gustavo E.

2017-11-01

In electronic structure theory, restricted single-reference coupled cluster (CC) captures weak correlation but fails catastrophically under strong correlation. Spin-projected unrestricted Hartree-Fock (SUHF), on the other hand, misses weak correlation but captures a large portion of strong correlation. The theoretical description of many important processes, e.g. molecular dissociation, requires a method capable of accurately capturing both weak and strong correlation simultaneously, and would likely benefit from a combined CC-SUHF approach. Based on what we have recently learned about SUHF written as particle-hole excitations out of a symmetry-adapted reference determinant, we here propose a heuristic CC doubles model to attenuate the dominant spin collective channel of the quadratic terms in the CC equations. Proof of principle results presented here are encouraging and point to several paths forward for improving the method further.

Influence of a weak gravitational wave on a bound system of two point-masses. [of binary stars

NASA Technical Reports Server (NTRS)

Turner, M. S.

1979-01-01

The problem of a weak gravitational wave impinging upon a nonrelativistic bound system of two point masses is considered. The geodesic equation for each mass is expanded in terms of two small parameters, v/c and dimensionless wave amplitude, in a manner similar to the post-Newtonian expansion; the geodesic equations are resolved into orbital and center-of-mass equations of motion. The effect of the wave on the orbit is determined by using Lagrange's planetary equations to calculate the time evolution of the orbital elements. The gauge properties of the solutions and, in particular, the gauge invariance of the secular effects are discussed.

The hmuQ and hmuD Genes from Bradyrhizobium japonicum Encode Heme-Degrading Enzymes

PubMed Central

Puri, Sumant; O'Brian, Mark R.

2006-01-01

Utilization of heme by bacteria as a nutritional iron source involves the transport of exogenous heme, followed by cleavage of the heme macrocycle to release iron. Bradyrhizobium japonicum can use heme as an iron source, but no heme-degrading oxygenase has been described. Here, bioinformatics analyses of the B. japonicum genome identified two paralogous genes renamed hmuQ (bll7075) and hmuD (bll7423) that encode proteins with weak similarity to the heme-degrading monooxygenase IsdG from Staphylococcus aureus. The hmuQ gene is clustered with known heme transport genes in the genome. Recombinant HmuQ bound heme with a Kd value of 0.8 μM and showed spectral properties consistent with a heme oxygenase. In the presence of a reductant, HmuQ catalyzed the degradation of heme and the formation of biliverdin. The hmuQ and hmuD genes complemented a Corynebacterium ulcerans heme oxygenase mutant in trans for utilization of heme as the sole iron source for growth. Furthermore, homologs of hmuQ and hmuD were identified in many bacterial genera, and the recombinant homolog from Brucella melitensis bound heme and catalyzed its degradation. The findings show that hmuQ and hmuD encode heme oxygenases and indicate that the IsdG family of heme-degrading monooxygenases is not restricted to gram-positive pathogenic bacteria. PMID:16952937

Globular Cluster Systems in Interacting Galaxies

NASA Astrophysics Data System (ADS)

Zepf, S.; Murdin, P.

2000-11-01

GLOBULAR CLUSTERS are dynamically bound and dense collections of large numbers of coeval stars. Typical globular clusters have roughly one million stars within a radius of a few parsecs. They are also usually close to spherical, hence the name globular. By virtue of their rich, isolated population of stars they provide an important laboratory for studies of STELLAR EVOLUTION. Moreover, because of...

Autoionization following nanoplasma formation in atomic and molecular clusters

NASA Astrophysics Data System (ADS)

Schütte, Bernd; Lahl, Jan; Oelze, Tim; Krikunova, Maria; Vrakking, Marc J. J.; Rouzée, Arnaud

2016-05-01

Nanoplasmas resulting from the ionization of nano-scale particles by intense laser pulses are typically described by quasiclassical models, where electron emission is understood to take place via thermal processes. Recently, we discovered that, following the interaction of intense near-infrared (NIR) laser pulses with molecular oxygen clusters, electron emission from nanoplasmas can also occur from atomic bound states via autoionization [Schütte et al., Phys. Rev. Lett. 114, 123002 (2015)]. Here we extend these studies and demonstrate that the formation and decay of doubly-excited atoms and ions is a very common phenomenon in nanoplasmas. We report on the observation of autoionization involving spin-orbit excited states in molecular oxygen and carbon dioxide clusters as well as in atomic krypton and xenon clusters ionized by intense NIR pulses, for which we find clear bound-state signatures in the electron kinetic energy spectra. By applying terahertz (THz) streaking, we show that the observed autoionization processes take place on a picosecond to nanosecond timescale after the interaction of the NIR laser pulse with the clusters. Contribution to the Topical Issue "Atomic Cluster Collisions (7th International Symposium)", edited by Gerardo Delgado Barrio, Andrey Solov'Yov, Pablo Villarreal, Rita Prosmiti.

XMM-Newton X-ray and HST weak gravitational lensing study of the extremely X-ray luminous galaxy cluster Cl J120958.9+495352 (z = 0.902)

NASA Astrophysics Data System (ADS)

Thölken, Sophia; Schrabback, Tim; Reiprich, Thomas H.; Lovisari, Lorenzo; Allen, Steven W.; Hoekstra, Henk; Applegate, Douglas; Buddendiek, Axel; Hicks, Amalia

2018-03-01

Context. Observations of relaxed, massive, and distant clusters can provide important tests of standard cosmological models, for example by using the gas mass fraction. To perform this test, the dynamical state of the cluster and its gas properties have to be investigated. X-ray analyses provide one of the best opportunities to access this information and to determine important properties such as temperature profiles, gas mass, and the total X-ray hydrostatic mass. For the last of these, weak gravitational lensing analyses are complementary independent probes that are essential in order to test whether X-ray masses could be biased. Aims: We study the very luminous, high redshift (z = 0.902) galaxy cluster Cl J120958.9+495352 using XMM-Newton data. We measure global cluster properties and study the temperature profile and the cooling time to investigate the dynamical status with respect to the presence of a cool core. We use Hubble Space Telescope (HST) weak lensing data to estimate its total mass and determine the gas mass fraction. Methods: We perform a spectral analysis using an XMM-Newton observation of 15 ks cleaned exposure time. As the treatment of the background is crucial, we use two different approaches to account for the background emission to verify our results. We account for point spread function effects and deproject our results to estimate the gas mass fraction of the cluster. We measure weak lensing galaxy shapes from mosaic HST imaging and select background galaxies photometrically in combination with imaging data from the William Herschel Telescope. Results: The X-ray luminosity of Cl J120958.9+495352 in the 0.1-2.4 keV band estimated from our XMM-Newton data is LX = (13.4+1.2-1.0) × 1044 erg/s and thus it is one of the most X-ray luminous clusters known at similarly high redshift. We find clear indications for the presence of a cool core from the temperature profile and the central cooling time, which is very rare at such high redshifts. Based on the weak lensing analysis, we estimate a cluster mass of M500/1014 M⊙ = 4.4+2.2-2.0 (stat.) + 0.6 (sys.) and a gas mass fraction of fgas,2500 = 0.11-0.03+0.06 in good agreement with previous findings for high redshift and local clusters.

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

Ryan, T.R.

The cyclo-addition of two Mo/sub 2/Cl/sub 4/(P(C/sub 6/H/sub 5/)/sub 3/)/sub 2/(CH/sub 3/OH)/sub 2/ molecules has produced a new type of tetrameric molybdenum cluster, Mo/sub 4/Cl/sub 8/L/sub 4/. Structural characterization of this dimer revealed weak molybdenum-methanol bonding which was consistent with the observed reactivity of the compound. New synthetic methods were devised for the preparation of Mo/sub 4/X/sub 8/L/sub 4/ clusters where X = Cl, Br, I, and L = PR/sub 3/, PO/sub 3/, RCN, CH/sub 3/OH. A scheme for the metal-metal bonding in these clusters was presented which was in agreement with the known structural features of Mo/sub 4/Cl/sub 8/(PR/submore » 3/)/sub 4/, R = C/sub 2/H/sub 5/, n-C/sub 4/H/sub 9/. The preparation of the analogous W/sub 4/Cl/sub 8/(PR/sub 3/)/sub 4/ cluster from WCl/sub 4/ was accomplished by application of techniques used in the molybdenum syntheses. The single crystal x-ray structure revealed slight differences from the molybdenum analog which were rationalized in terms of the known behavior in dimeric tungsten and molybdenum species. The attempted preparation of a tetrameric tungsten cluster from W/sub 2/(mhp)/sub 4/ was unsuccessful (mhp = anion of 2-methyl-6-hydroxypyridine). Instead, the new tungsten dimer, W/sub 2/Cl/sub 2/(mhp)/sub 3/, was isolated which possessed a metal-metal bond order of 3.5. The x-ray crystal structure of the dimer revealed that the chlorine atoms was situated cis, one bound to each tungsten. Cyclic voltammetry showed that the compound could be reversibly reduced, presumably to a W/sub 2//sup 4 +/ dimer containing a quadruple metal-metal bond.« less

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

Ryan, T.R.

The cyclo-addition of two Mo/sub 2/Cl/sub 4/(P(C/sub 6/H/sub 5/)/sub 3/)/sub 2/(CH/sub 3/OH)/sub 2/ molecules has produced a new type of tetrameric molybdenum cluster, Mo/sub 4/Cl/sub 8/L/sub 4/. Structural characterization of this dimer revealed weak molybdenum-methanol bonding which was consistent with the observed reactivity of the compound. New synthetic methods were devised for the preparation of Mo/sub 4/X/sub 8/L/sub 4/ clusters where X = Cl, Br, I and L = PR/sub 3/, Po/sub 3/, RCN, CH/sub 3/OH. A scheme for the metal-metal bonding in these clusters was presented which was in agreement with the known structural features of Mo/sub 4/Cl/sub 8/(PR/submore » 3/)/sub 4/, R = C/sub 2/H/sub 5/, n-C/sub 4/H/sub 9/. The preparation of the analogous W/sub 4/Cl/sub 8/(PR/sub 3/)/sub 4/ cluster from WCl/sub 4/ was accomplished by application of techniques used in the molybdenum syntheses. The single crystal x-ray structure revealed slight differences from the molybdenum analog which were rationalized in terms of the known behavior in dimeric tungsten and molybdenum species. The attempted preparation of a tetrameric tungsten cluster from W/sub 2/(mhp)/sub 4/ was unsuccessful (mhp = anion of 2-methyl-6-hydroxypyridine). Instead, the new tungsten dimer, W/sub 2/Cl/sub 2/(mhp)/sub 3/, was isolated which possessed a metal-metal bond order of 3.5. The x-ray crystal structure of the dimer revealed that the chlorine atoms were situated cis, one bound to each tungsten. Cyclic voltammetry showed that the compound could be reversibly reduced, presumably to a W/sub 2//sup 4 +/ dimer containing a quadruple metal-metal bond.« less

Understanding the nucleon as a Borromean bound-state

DOE PAGES

Segovia, Jorge; Roberts, Craig D.; Schmidt, Sebastian M.

2015-08-20

Analyses of the three valence-quark bound-state problem in relativistic quantum field theory predict that the nucleon may be understood primarily as a Borromean bound-state, in which binding arises mainly from two separate effects. One originates in non-Abelian facets of QCD that are expressed in the strong running coupling and generate confined but strongly-correlated colourantitriplet diquark clusters in both the scalar-isoscalar and pseudovector-isotriplet channels. That attraction is magnified by quark exchange associated with diquark breakup and reformation. Diquark clustering is driven by the same mechanism which dynamically breaks chiral symmetry in the Standard Model. It has numerous observable consequences, the completemore » elucidation of which requires a framework that also simultaneously expresses the running of the coupling and masses in the strong interaction. Moreover, planned experiments are capable of validating this picture.« less

Uniqueness of solutions for a mathematical model for magneto-viscoelastic flows

NASA Astrophysics Data System (ADS)

Schlömerkemper, A.; Žabenský, J.

2018-06-01

We investigate uniqueness of weak solutions for a system of partial differential equations capturing behavior of magnetoelastic materials. This system couples the Navier–Stokes equations with evolutionary equations for the deformation gradient and for the magnetization obtained from a special case of the micromagnetic energy. It turns out that the conditions on uniqueness coincide with those for the well-known Navier–Stokes equations in bounded domains: weak solutions are unique in two spatial dimensions, and weak solutions satisfying the Prodi–Serrin conditions are unique among all weak solutions in three dimensions. That is, we obtain the so-called weak-strong uniqueness result in three spatial dimensions.

Accurate characterization of weak macromolecular interactions by titration of NMR residual dipolar couplings: application to the CD2AP SH3-C:ubiquitin complex.

PubMed

Ortega-Roldan, Jose Luis; Jensen, Malene Ringkjøbing; Brutscher, Bernhard; Azuaga, Ana I; Blackledge, Martin; van Nuland, Nico A J

2009-05-01

The description of the interactome represents one of key challenges remaining for structural biology. Physiologically important weak interactions, with dissociation constants above 100 muM, are remarkably common, but remain beyond the reach of most of structural biology. NMR spectroscopy, and in particular, residual dipolar couplings (RDCs) provide crucial conformational constraints on intermolecular orientation in molecular complexes, but the combination of free and bound contributions to the measured RDC seriously complicates their exploitation for weakly interacting partners. We develop a robust approach for the determination of weak complexes based on: (i) differential isotopic labeling of the partner proteins facilitating RDC measurement in both partners; (ii) measurement of RDC changes upon titration into different equilibrium mixtures of partially aligned free and complex forms of the proteins; (iii) novel analytical approaches to determine the effective alignment in all equilibrium mixtures; and (iv) extraction of precise RDCs for bound forms of both partner proteins. The approach is demonstrated for the determination of the three-dimensional structure of the weakly interacting CD2AP SH3-C:Ubiquitin complex (K(d) = 132 +/- 13 muM) and is shown, using cross-validation, to be highly precise. We expect this methodology to extend the remarkable and unique ability of NMR to study weak protein-protein complexes.

Accurate characterization of weak macromolecular interactions by titration of NMR residual dipolar couplings: application to the CD2AP SH3-C:ubiquitin complex

PubMed Central

Ortega-Roldan, Jose Luis; Jensen, Malene Ringkjøbing; Brutscher, Bernhard; Azuaga, Ana I.; Blackledge, Martin; van Nuland, Nico A. J.

2009-01-01

The description of the interactome represents one of key challenges remaining for structural biology. Physiologically important weak interactions, with dissociation constants above 100 μM, are remarkably common, but remain beyond the reach of most of structural biology. NMR spectroscopy, and in particular, residual dipolar couplings (RDCs) provide crucial conformational constraints on intermolecular orientation in molecular complexes, but the combination of free and bound contributions to the measured RDC seriously complicates their exploitation for weakly interacting partners. We develop a robust approach for the determination of weak complexes based on: (i) differential isotopic labeling of the partner proteins facilitating RDC measurement in both partners; (ii) measurement of RDC changes upon titration into different equilibrium mixtures of partially aligned free and complex forms of the proteins; (iii) novel analytical approaches to determine the effective alignment in all equilibrium mixtures; and (iv) extraction of precise RDCs for bound forms of both partner proteins. The approach is demonstrated for the determination of the three-dimensional structure of the weakly interacting CD2AP SH3-C:Ubiquitin complex (Kd = 132 ± 13 μM) and is shown, using cross-validation, to be highly precise. We expect this methodology to extend the remarkable and unique ability of NMR to study weak protein–protein complexes. PMID:19359362

“Local” Dark Energy Outflows Around Galaxy Groups and Rich Clusters

NASA Astrophysics Data System (ADS)

Byrd, Gene G.; Chernin, A. D.; Teerikorpi, P.; Dolgachev, V. P.; Kanter, A. A.; Domozhilova, L. M.; Valtonen, M.

2013-01-01

First detected at large Gpc distances, dark energy is a vacuum energy formulated as Einstein's cosmological constant, Λ. We have found its effects on “small” 1-3 Mpc scales in our Local Group. We have now found these effects in other nearby groups using member Doppler shifts and 3D distances from group centers (Cen A-M83; M81-M82; CV I). For the larger 20-30 Mpc Virgo and Fornax clusters, we now have found similar effects. Observationally, for both groups and clusters, gravity dominates a bound central system. The system gravitation and dark energy create a “zero-gravity” radius (R_{ZG}) from the center where the two balance. Smaller members bound inside R_{ZG} may be pulled out along with the less bound members which recede farther. A linear increase of recession with distance results which approaches a linear global Hubble law. These outflows are seen around groups in cosmological simulations which include galaxies as small as ~10^{-4} of the group mass. Scaled plots of asymptotic recessional velocity, V/(H(R_{ZG})), versus distance/ R_{ZG} of the outer galaxies are very similar for both the small groups and large clusters. This similarity on 1-30 Mpc scales suggests that a quasi-stationary bound central component and an expanding outflow applies to a wide range of groups and clusters due to small scale action of dark energy. Our new text book: Byrd, G., Chernin, A., Terrikorpi, P. and Valtonen, M. 2012, "Paths to Dark Energy: Theory and Observation," de Gruyter, Berlin/Boston, contains background and cosmological simulation plots. Group data and scaled plots are in our new article: A. D. Chernin, P. Teerikorpi, V. P. Dolgachev, A. A. Kanter, L. M. Domozhilova, M. J. Valtonen, and G. G. Byrd, 2012, Astronomy Reports, Vol. 56 , p. 653-669.

A Constrained-Clustering Approach to the Analysis of Remote Sensing Data.

DTIC Science & Technology

1983-01-01

One old and two new clustering methods were applied to the constrained-clustering problem of separating different agricultural fields based on multispectral remote sensing satellite data. (Constrained-clustering involves double clustering in multispectral measurement similarity and geographical location.) The results of applying the three methods are provided along with a discussion of their relative strengths and weaknesses and a detailed description of their algorithms.

Interatomic Coulombic decay cascades in multiply excited neon clusters

PubMed Central

Nagaya, K.; Iablonskyi, D.; Golubev, N. V.; Matsunami, K.; Fukuzawa, H.; Motomura, K.; Nishiyama, T.; Sakai, T.; Tachibana, T.; Mondal, S.; Wada, S.; Prince, K. C.; Callegari, C.; Miron, C.; Saito, N.; Yabashi, M.; Demekhin, Ph. V.; Cederbaum, L. S.; Kuleff, A. I.; Yao, M.; Ueda, K.

2016-01-01

In high-intensity laser light, matter can be ionized by direct multiphoton absorption even at photon energies below the ionization threshold. However on tuning the laser to the lowest resonant transition, the system becomes multiply excited, and more efficient, indirect ionization pathways become operative. These mechanisms are known as interatomic Coulombic decay (ICD), where one of the species de-excites to its ground state, transferring its energy to ionize another excited species. Here we show that on tuning to a higher resonant transition, a previously unknown type of interatomic Coulombic decay, intra-Rydberg ICD occurs. In it, de-excitation of an atom to a close-lying Rydberg state leads to electron emission from another neighbouring Rydberg atom. Moreover, systems multiply excited to higher Rydberg states will decay by a cascade of such processes, producing even more ions. The intra-Rydberg ICD and cascades are expected to be ubiquitous in weakly-bound systems exposed to high-intensity resonant radiation. PMID:27917867

Direct evidence of two interatomic relaxation mechanisms in argon dimers ionized by electron impact

PubMed Central

Ren, Xueguang; Jabbour Al Maalouf, Elias; Dorn, Alexander; Denifl, Stephan

2016-01-01

In weakly bound systems like liquids and clusters electronically excited states can relax in inter-particle reactions via the interplay of electronic and nuclear dynamics. Here we report on the identification of two prominent examples, interatomic Coulombic decay (ICD) and radiative charge transfer (RCT), which are induced in argon dimers by electron collisions. After initial ionization of one dimer constituent ICD and RCT lead to the ionization of its neighbour either by energy transfer to or by electron transfer from the neighbour, respectively. By full quintuple-coincidence measurements, we unambiguously identify ICD and RCT, and trace the relaxation dynamics as function of the collisional excited state energies. Such interatomic processes multiply the number of electrons and shift their energies down to the critical 1–10 eV range, which can efficiently cause chemical degradation of biomolecules. Therefore, the observed relaxation channels might contribute to cause efficient radiation damage in biological systems. PMID:27000407

Using an innovative multiple regression procedure in a cancer population (Part II): fever, depressive affect, and mobility problems clarify an influential symptom pair (pain-fatigue/weakness) and cluster (pain-fatigue/weakness-sleep problems).

PubMed

Francoeur, Richard B

2015-01-01

Most patients with advanced cancer experience symptom pairs or clusters among pain, fatigue, and insomnia. However, only combinations where symptoms are mutually influential hold potential for identifying patient subgroups at greater risk, and in some contexts, interventions with "cross-over" (multisymptom) effects. Improved methods to detect and interpret interactions among symptoms, signs, or biomarkers are needed to reveal these influential pairs and clusters. I recently created sequential residual centering (SRC) to reduce multicollinearity in moderated regression, which enhances sensitivity to detect these interactions. I applied SRC to moderated regressions of single-item symptoms that interact to predict outcomes from 268 palliative radiation outpatients. I investigated: 1) the hypothesis that the interaction, pain × fatigue/weakness × sleep problems, predicts depressive affect only when fever presents, and 2) an exploratory analysis, when fever is absent, that the interaction, pain × fatigue/weakness × sleep problems × depressive affect, predicts mobility problems. In the fever context, three-way interactions (and derivative terms) of the four symptoms (pain, fatigue/weakness, fever, sleep problems) are tested individually and simultaneously; in the non-fever context, a single four-way interaction (and derivative terms) is tested. Fever interacts separately with fatigue/weakness and sleep problems; these comoderators each magnify the pain-depressive affect relationship along the upper or full range of pain values. In non-fever contexts, fatigue/weakness, sleep problems, and depressive affect comagnify the relationship between pain and mobility problems. Different mechanisms contribute to the pain × fatigue/weakness × sleep problems interaction, but all depend on the presence of fever, a sign/biomarker/symptom of proinflammatory sickness behavior. In non-fever contexts, depressive affect is no longer an outcome representing malaise from the physical symptoms of sickness, but becomes a fourth symptom of the interaction. In outpatient subgroups at heightened risk, single interventions could potentially relieve multiple symptoms when fever accompanies sickness malaise and in non-fever contexts with mobility problems. SRC strengthens insights into symptom pairs/clusters.

Structural Analysis of Single Domain Antibodies Bound to a Second Neutralizing Hot Spot on Ricin Toxin's Enzymatic Subunit*

PubMed Central

Rudolph, Michael J.; Cassidy, Michael S.; Rong, Yinghui

2017-01-01

Ricin toxin is a heterodimer consisting of RTA, a ribosome-inactivating protein, and RTB, a lectin that facilitates receptor-mediated uptake into mammalian cells. In previous studies, we demonstrated that toxin-neutralizing antibodies target four spatially distinct hot spots on RTA, which we refer to as epitope clusters I–IV. In this report, we identified and characterized three single domain camelid antibodies (VHH) against cluster II. One of these VHHs, V5E1, ranks as one of the most potent ricin-neutralizing antibodies described to date. We solved the X-ray crystal structures of each of the three VHHs (E1, V1C7, and V5E1) in complex with RTA. V5E1 buries a total of 1,133 Å2 of surface area on RTA and makes primary contacts with α-helix A (residues 18–32), α-helix F (182–194), as well as the F-G loop. V5E1, by virtue of complementarity determining region 3 (CDR3), may also engage with RTB and potentially interfere with the high affinity galactose-recognition element that plays a critical role in toxin attachment to cell surfaces and intracellular trafficking. The two other VHHs, E1 and V1C7, bind epitopes adjacent to V5E1 but display only weak toxin neutralizing activity, thereby providing structural insights into specific residues within cluster II that may be critical contact points for toxin inactivation. PMID:27903650

Weak lensing calibrated M-T scaling relation of galaxy groups in the cosmos field

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

Kettula, K.; Finoguenov, A.; Massey, R.

2013-11-20

The scaling between X-ray observables and mass for galaxy clusters and groups is instrumental for cluster-based cosmology and an important probe for the thermodynamics of the intracluster gas. We calibrate a scaling relation between the weak lensing mass and X-ray spectroscopic temperature for 10 galaxy groups in the COSMOS field, combined with 55 higher-mass clusters from the literature. The COSMOS data includes Hubble Space Telescope imaging and redshift measurements of 46 source galaxies per arcminute{sup 2}, enabling us to perform unique weak lensing measurements of low-mass systems. Our sample extends the mass range of the lensing calibrated M-T relation anmore » order of magnitude lower than any previous study, resulting in a power-law slope of 1.48{sub −0.09}{sup +0.13}. The slope is consistent with the self-similar model, predictions from simulations, and observations of clusters. However, X-ray observations relying on mass measurements derived under the assumption of hydrostatic equilibrium have indicated that masses at group scales are lower than expected. Both simulations and observations suggest that hydrostatic mass measurements can be biased low. Our external weak lensing masses provide the first observational support for hydrostatic mass bias at group level, showing an increasing bias with decreasing temperature and reaching a level of 30%-50% at 1 keV.« less

An Introverted Starburst: Gas and SSC Formation in NGC 5253

NASA Astrophysics Data System (ADS)

Turner, J. L.; Beck, S. C.

2004-06-01

High resolution Brackett line spectroscopy with the Keck Telescope reveals relatively narrow recombination lines toward the embedded young super star cluster nebula in NGC 5253. The gas within this nebula is almost certainly gravitationally bound by the massive and compact young star cluster.

Autapse-induced multiple stochastic resonances in a modular neuronal network

NASA Astrophysics Data System (ADS)

Yang, XiaoLi; Yu, YanHu; Sun, ZhongKui

2017-08-01

This study investigates the nontrivial effects of autapse on stochastic resonance in a modular neuronal network subjected to bounded noise. The resonance effect of autapse is detected by imposing a self-feedback loop with autaptic strength and autaptic time delay to each constituent neuron. Numerical simulations have demonstrated that bounded noise with the proper level of amplitude can induce stochastic resonance; moreover, the noise induced resonance dynamics can be significantly shaped by the autapse. In detail, for a specific range of autaptic strength, multiple stochastic resonances can be induced when the autaptic time delays are appropriately adjusted. These appropriately adjusted delays are detected to nearly approach integer multiples of the period of the external weak signal when the autaptic strength is very near zero; otherwise, they do not match the period of the external weak signal when the autaptic strength is slightly greater than zero. Surprisingly, in both cases, the differences between arbitrary two adjacent adjusted autaptic delays are always approximately equal to the period of the weak signal. The phenomenon of autaptic delay induced multiple stochastic resonances is further confirmed to be robust against the period of the external weak signal and the intramodule probability of subnetwork. These findings could have important implications for weak signal detection and information propagation in realistic neural systems.

A distance of 133-137 parsecs to the Pleiades star cluster.

PubMed

Pan, Xiaopei; Shao, M; Kulkarni, S R

2004-01-22

Nearby 'open' clusters of stars (those that are not gravitationally bound) have played a crucial role in the development of stellar astronomy because, as a consequence of the stars having a common age, they provide excellent natural laboratories to test theoretical stellar models. Clusters also play a fundamental part in determining distance scales. The satellite Hipparcos surprisingly found that an extensively studied open cluster--the Pleiades (also known as the Seven Sisters)--had a distance of D = 118 +/- 4 pc (refs 2, 3), about ten per cent smaller than the accepted value. The discrepancy generated a spirited debate because the implication was that either current stellar models were incorrect by a surprising amount or Hipparcos was giving incorrect distances. Here we report the orbital parameters of the bright double star Atlas in the Pleiades, using long-baseline optical/infrared interferometry. From the data we derive a firm lower bound of D > 127 pc, with the most likely range being 133 < D < 137 pc. Our result reaffirms the fidelity of current stellar models.

Explaining opinion polarisation with opinion copulas.

PubMed

Askitas, Nikolaos

2017-01-01

An empirically founded and widely established driving force in opinion dynamics is homophily i.e. the tendency of "birds of a feather" to "flock together". The closer our opinions are the more likely it is that we will interact and converge. Models using these assumptions are called bounded confidence models (BCM) as they assume a tolerance threshold after which interaction is unlikely. They are known to produce one or more clusters, depending on the size of the bound, with more than one cluster being possible only in the deterministic case. Introducing noise, as is likely to happen in a stochastic world, causes BCM to produce consensus which leaves us with the open problem of explaining the emergence and sustainance of opinion clusters and polarisation. We investigate the role of heterogeneous priors in opinion formation, introduce the concept of opinion copulas, argue that it is well supported by findings in Social Psychology and use it to show that the stochastic BCM does indeed produce opinion clustering without the need for extra assumptions.

Explaining opinion polarisation with opinion copulas

PubMed Central

2017-01-01

An empirically founded and widely established driving force in opinion dynamics is homophily i.e. the tendency of “birds of a feather” to “flock together”. The closer our opinions are the more likely it is that we will interact and converge. Models using these assumptions are called bounded confidence models (BCM) as they assume a tolerance threshold after which interaction is unlikely. They are known to produce one or more clusters, depending on the size of the bound, with more than one cluster being possible only in the deterministic case. Introducing noise, as is likely to happen in a stochastic world, causes BCM to produce consensus which leaves us with the open problem of explaining the emergence and sustainance of opinion clusters and polarisation. We investigate the role of heterogeneous priors in opinion formation, introduce the concept of opinion copulas, argue that it is well supported by findings in Social Psychology and use it to show that the stochastic BCM does indeed produce opinion clustering without the need for extra assumptions. PMID:28829802

Competition of supermassive black holes and galactic spheroids in the destruction of globular clusters

NASA Technical Reports Server (NTRS)

Charlton, Jane C.; Laguna, Pablo

1995-01-01

The globular clusters that we observe in galaxies may be only a fraction of the initial population. Among the evolutionary influences on the population is the destruction of globular clusters by tidal forces as the cluster moves through the field of influence of a disk, a bulge, and/or a putative nuclear component (black hole). We have conducted a series of N-body simulations of globular clusters on bound and marginally bound orbits through poetentials that include black hole and speroidal components. The degree of concentration of the spheroidal component can have a considerable impact on the extent to which a globular cluster is disrupted. If half the mass of a 10(exp 10) solar mass spheroid is concentrated within 800 pc, then only black holes with masses greater than 10(exp 9) solar mass can have a significant tidal influence over that already exerted by the bulge. However, if the matter in the spheroidal component is not so strongly concentrated toward the center of the galaxy, a more modest central black hole (down to 10(exp 8) solar mass) could have a dominant influence on the globular cluster distribution, particularly if many of the clusters were initially on highly radial orbits. Our simulations show that the stars that are stripped from a globular cluster follow orbits with roughly the same eccentricity as the initial cluster orbit, spreading out along the orbit like a 'string of pearls.' Since only clusters on close to radial orbits will suffer substantial disruption, the population of stripped stars will be on orbits of high eccentricity.

The random coding bound is tight for the average code.

NASA Technical Reports Server (NTRS)

Gallager, R. G.

1973-01-01

The random coding bound of information theory provides a well-known upper bound to the probability of decoding error for the best code of a given rate and block length. The bound is constructed by upperbounding the average error probability over an ensemble of codes. The bound is known to give the correct exponential dependence of error probability on block length for transmission rates above the critical rate, but it gives an incorrect exponential dependence at rates below a second lower critical rate. Here we derive an asymptotic expression for the average error probability over the ensemble of codes used in the random coding bound. The result shows that the weakness of the random coding bound at rates below the second critical rate is due not to upperbounding the ensemble average, but rather to the fact that the best codes are much better than the average at low rates.

Optical Feshbach resonances and ground-state-molecule production in the RbHg system

NASA Astrophysics Data System (ADS)

Borkowski, Mateusz; Muñoz Rodriguez, Rodolfo; Kosicki, Maciej B.; Ciuryło, Roman; Żuchowski, Piotr S.

2017-12-01

We present the prospects for photoassociation, optical control of interspecies scattering lengths, and, finally, the production of ultracold absolute ground-state molecules in the Rb+Hg system. We use the state-of-the-art ab initio methods for the calculations of ground- [CCSD(T)] and excited-state (EOM-CCSD) potential curves. The RbHg system, thanks to the wide range of stable Hg bosonic isotopes, offers possibilities for mass tuning of ground-state interactions. The optical lengths describing the strengths of optical Feshbach resonances near the Rb transitions are favorable even at large laser detunings. Ground-state RbHg molecules can be produced with efficiencies ranging from about 20% for deeply bound to at least 50% for weakly bound states close to the dissociation limit. Finally, electronic transitions with favorable Franck-Condon factors can be found for the purposes of a STIRAP transfer of the weakly bound RbHg molecules to the absolute ground state using commercially available lasers.

Robust root clustering for linear uncertain systems using generalized Lyapunov theory

NASA Technical Reports Server (NTRS)

Yedavalli, R. K.

1993-01-01

Consideration is given to the problem of matrix root clustering in subregions of a complex plane for linear state space models with real parameter uncertainty. The nominal matrix root clustering theory of Gutman & Jury (1981) using the generalized Liapunov equation is extended to the perturbed matrix case, and bounds are derived on the perturbation to maintain root clustering inside a given region. The theory makes it possible to obtain an explicit relationship between the parameters of the root clustering region and the uncertainty range of the parameter space.

Does faint galaxy clustering contradict gravitational instability?

NASA Technical Reports Server (NTRS)

Melott, Adrian L.

1992-01-01

It has been argued, based on the weakness of clustering of faint galaxies, that these objects cannot be the precursors of present galaxies in a simple Einstein-de Sitter model universe with clustering driven by gravitational instability. It is shown that the assumptions made about the growth of clustering were too restrictive. In such a universe, the growth of clustering can easily be fast enough to match the data.

Tight Bell Inequalities and Nonlocality in Weak Measurement

NASA Astrophysics Data System (ADS)

Waegell, Mordecai

A general class of Bell inequalities is derived based on strict adherence to probabilistic entanglement correlations observed in nature. This derivation gives significantly tighter bounds on local hidden variable theories for the well-known Clauser-Horne-Shimony-Holt (CHSH) inequality, and also leads to new proofs of the Greenberger-Horne-Zeilinger (GHZ) theorem. This method is applied to weak measurements and reveals nonlocal correlations between the weak value and the post-selection, which rules out various classical models of weak measurement. Implications of these results are discussed. Fetzer-Franklin Fund of the John E. Fetzer Memorial Trust.

The signal of weak gravitational lensing from galaxy groups and clusters

NASA Astrophysics Data System (ADS)

Markert, Sean

2017-02-01

The weak gravitational lensing of galaxy clusters is a valuable tool. The deflection of light around a lens is solely dependent on the underlying distribution of foreground mass, and independent of tracers of mass such as the mass to light ratio and kinematics. As a direct probe of mass, weak lensing serves as an independent calibration of mass-observable relationships. These massive clusters are objects of great interest to astronomers, as their abundance is dependent on the conditions of the early universe, and accurate counts of clusters serve as a test of cosmological model. Upcoming surveys, such as LSST and DES, promise to push the limit of observable weak lensing, detecting clusters and sources at higher redshift than has ever been detected before. This makes accurate counts of clusters of a given mass and redshift, and proper calibration of mass-observable relationships, vital to cosmological studies. We used M> 1013.5 h-1M ⊙ halos from the MultiDark Planck simulation at z 0.5 to study the behavior of the reduced shear in clusters. We generated 2D maps of convergence and shear the halos using the GLAMER lensing library. Using these maps, we simulated observations of randomly placed background sources, and generate azimuthal averages of the shear. This reduced shear profile, and the true reduced shear profile of the halo, is fit using analytical solutions for shear of the NFW, Einasto, and truncated NFW density profile. The masses of these density profiles are then compared to the total halo masses from the halo catalogs. We find that fits to the reduced shear for halos extending past ≈ 2 h-1Mpc are fits to the noise of large scale structure along the line of sight. This noise is largely in the 45° rotated component to the reduced tangential shear, and is a breakdown in the approximation of gtan ≈ gnot required for density profile fitting of clusters. If fits are constrained to a projected radii of < 2 h-1Mpc, we see massively improved fits insensitive to the amount of structure present along the line of sight.

Four-body extension of the continuum-discretized coupled-channels method

NASA Astrophysics Data System (ADS)

Descouvemont, P.

2018-06-01

I develop an extension of the continuum-discretized coupled-channels (CDCC) method to reactions where both nuclei present a low breakup threshold. This leads to a four-body model, where the only inputs are the interactions describing the colliding nuclei, and the four optical potentials between the fragments. Once these potentials are chosen, the model does not contain any additional parameter. First I briefly discuss the general formalism, and emphasize the need for dealing with large coupled-channel systems. The method is tested with existing benchmarks on 4 α bound states with the Ali-Bodmer potential. Then I apply the four-body CDCC to the 11Be+d system, where I consider the 10Be(0+,2+)+n configuration for 11Be. I show that breakup channels are crucial to reproduce the elastic cross section, but that core excitation plays a weak role. The 7Li+d system is investigated with an α +t cluster model for 7Li. I show that breakup channels significantly improve the agreement with the experimental cross section, but an additional imaginary term, simulating missing transfer channels, is necessary. The full CDCC results can be interpreted by equivalent potentials. For both systems, the real part is weakly affected by breakup channels, but the imaginary part is strongly modified. I suggest that the present wave functions could be used in future DWBA calculations.

Investigation of glutathione-derived electrostatic and hydrogen-bonding interactions and their role in defining Grx5 [2Fe-2S] cluster optical spectra and transfer chemistry.

PubMed

Sen, Sambuddha; Bonfio, Claudia; Mansy, Sheref S; Cowan, J A

2018-03-01

Human glutaredoxin 5 (Grx5) is one of the core components of the Isc (iron-sulfur cluster) assembly and trafficking machinery, and serves as an intermediary cluster carrier, putatively delivering cluster from the Isu scaffold protein to target proteins. The tripeptide glutathione is intimately involved in this role, providing cysteinyl coordination to the iron center of the Grx5-bound [2Fe-2S] cluster. Grx5 has a well-defined glutathione-binding pocket with protein amino acid residues providing many ionic and hydrogen binding contacts to the bound glutathione. In this report, we investigated the importance of these interactions in cluster chirality and exchange reactivity by systematically perturbing the crucial contacts by use of natural and non-natural amino acid substitutions to disrupt the binding contacts from both the protein and glutathione. Native Grx5 could be reconstituted with all of the glutathione analogs used, as well as other thiol ligands, such as DTT or L-cysteine, by in vitro chemical reconstitution, and the holo proteins were found to transfer [2Fe-2S] cluster to apo ferredoxin 1 at comparable rates. However, the circular dichroism spectra of these derivatives displayed prominent differences that reflect perturbations in local cluster chirality. These studies provided a detailed molecular understanding of glutathione-protein interactions in holo Grx5 that define both cluster spectroscopy and exchange chemistry.

Weak-lensing calibration of a stellar mass-based mass proxy for redMaPPer and Voronoi Tessellation clusters in SDSS Stripe 82

NASA Astrophysics Data System (ADS)

Pereira, Maria E. S.; Soares-Santos, Marcelle; Makler, Martin; Annis, James; Lin, Huan; Palmese, Antonella; Vitorelli, André Z.; Welch, Brian; Caminha, Gabriel B.; Erben, Thomas; Moraes, Bruno; Shan, Huanyuan

2018-02-01

We present the first weak lensing calibration of μ⋆, a new galaxy cluster mass proxy corresponding to the total stellar mass of red and blue members, in two cluster samples selected from the SDSS Stripe 82 data: 230 red-sequence Matched-filter Probabilistic Percolation (redMaPPer) clusters at redshift 0.1 ≤ z < 0.33 and 136 Voronoi Tessellation (VT) clusters at 0.1 ≤ z < 0.6. We use the CS82 shear catalogue and stack the clusters in μ⋆ bins to measure a mass-observable power-law relation. For redMaPPer clusters we obtain M0 = (1.77 ± 0.36) × 1014 h-1M⊙, α = 1.74 ± 0.62. For VT clusters, we find M0 = (4.31 ± 0.89) × 1014 h-1M⊙, α = 0.59 ± 0.54 and M0 = (3.67 ± 0.56) × 1014 h-1M⊙, α = 0.68 ± 0.49 for a low and a high redshift bin, respectively. Our results are consistent, internally and with the literature, indicating that our method can be applied to any cluster-finding algorithm. In particular, we recommend that μ⋆ be used as the mass proxy for VT clusters. Catalogues including μ⋆ measurements will enable its use in studies of galaxy evolution in clusters and cluster cosmology.

Semi-Supervised Clustering for High-Dimensional and Sparse Features

ERIC Educational Resources Information Center

Yan, Su

2010-01-01

Clustering is one of the most common data mining tasks, used frequently for data organization and analysis in various application domains. Traditional machine learning approaches to clustering are fully automated and unsupervised where class labels are unknown a priori. In real application domains, however, some "weak" form of side…

Spectroscopic and functional characterization of iron-sulfur cluster-bound forms of Azotobacter vinelandii (Nif)IscA.

PubMed

Mapolelo, Daphne T; Zhang, Bo; Naik, Sunil G; Huynh, Boi Hanh; Johnson, Michael K

2012-10-16

The mechanism of [4Fe-4S] cluster assembly on A-type Fe-S cluster assembly proteins, in general, and the specific role of (Nif)IscA in the maturation of nitrogen fixation proteins are currently unknown. To address these questions, in vitro spectroscopic studies (UV-visible absorption/CD, resonance Raman and Mössbauer) have been used to investigate the mechanism of [4Fe-4S] cluster assembly on Azotobacter vinelandii(Nif)IscA, and the ability of (Nif)IscA to accept clusters from NifU and to donate clusters to the apo form of the nitrogenase Fe-protein. The results show that (Nif)IscA can rapidly and reversibly cycle between forms containing one [2Fe-2S](2+) and one [4Fe-4S](2+) cluster per homodimer via DTT-induced two-electron reductive coupling of two [2Fe-2S](2+) clusters and O(2)-induced [4Fe-4S](2+) oxidative cleavage. This unique type of cluster interconversion in response to cellular redox status and oxygen levels is likely to be important for the specific role of A-type proteins in the maturation of [4Fe-4S] cluster-containing proteins under aerobic growth or oxidative stress conditions. Only the [4Fe-4S](2+)-(Nif)IscA was competent for rapid activation of apo-nitrogenase Fe protein under anaerobic conditions. Apo-(Nif)IscA was shown to accept clusters from [4Fe-4S] cluster-bound NifU via rapid intact cluster transfer, indicating a potential role as a cluster carrier for delivery of clusters assembled on NifU. Overall the results support the proposal that A-type proteins can function as carrier proteins for clusters assembled on U-type proteins and suggest that they are likely to supply [2Fe-2S] clusters rather than [4Fe-4S] for the maturation of [4Fe-4S] cluster-containing proteins under aerobic or oxidative stress growth conditions.

Spectroscopic and Functional Characterization of Iron-Sulfur Cluster-Bound Forms of Azotobacter vinelandii NifIscA†

PubMed Central

Mapolelo, Daphne T.; Zhang, Bo; Naik, Sunil G.; Huynh, Boi Hanh; Johnson, Michael K.

2012-01-01

The mechanism of [4Fe-4S] cluster assembly on A-type Fe-S cluster assembly proteins, in general, and the specific role of NifIscA in the maturation of nitrogen fixation proteins are currently unknown. To address these questions, in vitro spectroscopic studies (UV–visible absorption/CD, resonance Raman and Mössbauer) have been used to investigate the mechanism of [4Fe-4S] cluster assembly on Azotobacter vinelandii NifIscA, and the ability of NifIscA to accept clusters from NifU and to donate clusters to the apo form of the nitrogenase Fe-protein. The results show that NifIscA can rapidly and reversibly cycle between forms containing one [2Fe-2S]2+ and one [4Fe-4S]2+ cluster per homodimer via DTT-induced two-electron reductive coupling of two [2Fe-2S]2+ clusters and O2-induced [4Fe-4S]2+ oxidative cleavage. This unique type of cluster interconversion in response to cellular redox status and oxygen levels is likely to be important for the specific role of A-type proteins in the maturation of [4Fe-4S] cluster-containing proteins under aerobic growth or oxidative stress conditions. Only the [4Fe-4S]2+-NifIscA was competent for rapid activation of apo-nitrogenase Fe protein under anaerobic conditions. Apo-NifIscA was shown to accept clusters from [4Fe-4S] cluster-bound NifU via rapid intact cluster transfer, indicating a potential role as a cluster carrier for delivery of clusters assembled on NifU. Overall the results support the proposal that A-type proteins can function as carrier proteins for clusters assembled on U-type proteins and suggest that they are likely to supply [2Fe-2S] clusters rather than [4Fe-4S] for the maturation of [4Fe-4S] cluster-containing proteins under aerobic or oxidative stress growth conditions. PMID:23003323

Re-derived overclosure bound for the inert doublet model

NASA Astrophysics Data System (ADS)

Biondini, S.; Laine, M.

2017-08-01

We apply a formalism accounting for thermal effects (such as modified Sommerfeld effect; Salpeter correction; decohering scatterings; dissociation of bound states), to one of the simplest WIMP-like dark matter models, associated with an "inert" Higgs doublet. A broad temperature range T ˜ M/20 . . . M/104 is considered, stressing the importance and less-understood nature of late annihilation stages. Even though only weak interactions play a role, we find that resummed real and virtual corrections increase the tree-level overclosure bound by 1 . . . 18%, depending on quartic couplings and mass splittings.

Some peculiarities of interactions of weakly bound lithium nuclei at near-barrier energies

NASA Astrophysics Data System (ADS)

Kabyshev, A. M.; Kuterbekov, K. A.; Sobolev, Yu G.; Penionzhkevich, Yu E.; Kubenova, M. M.; Azhibekov, A. K.; Mukhambetzhan, A. M.; Lukyanov, S. M.; Maslov, V. A.; Kabdrakhimova, G. D.

2018-02-01

This paper presents new experimental data on the total cross sections of 9Li + 28Si reactions at low energies as well as the analysis of previously obtained data for 6,7Li. Based on a large collection of data (authors’ and literature data) we carried out a comparative analysis of the two main experimental interaction cross sections (angular distributions of the differential cross sections and total reaction cross sections) for weakly bound lithium (6-9Li, 11Li) nuclei in the framework of Kox parameterization and the macroscopic optical model. We identified specific features of these interactions and predicted the experimental trend in the total reaction cross sections for Li isotopes at energies close to the Coulomb barrier.

Quantum dice rolling: a multi-outcome generalization of quantum coin flipping

NASA Astrophysics Data System (ADS)

Aharon, N.; Silman, J.

2010-03-01

The problem of quantum dice rolling (DR)—a generalization of the problem of quantum coin flipping (CF) to more than two outcomes and parties—is studied in both its weak and strong variants. We prove by construction that quantum mechanics allows for (i) weak N-sided DR admitting arbitrarily small bias for any N and (ii) two-party strong N-sided DR saturating Kitaev's bound for any N. To derive (ii) we also prove by construction that quantum mechanics allows for (iii) strong imbalanced CF saturating Kitaev's bound for any degree of imbalance. Furthermore, as a corollary of (ii) we introduce a family of optimal 2m-party strong nm-sided DR protocols for any pair m and n.

Density Large Deviations for Multidimensional Stochastic Hyperbolic Conservation Laws

NASA Astrophysics Data System (ADS)

Barré, J.; Bernardin, C.; Chetrite, R.

2018-02-01

We investigate the density large deviation function for a multidimensional conservation law in the vanishing viscosity limit, when the probability concentrates on weak solutions of a hyperbolic conservation law. When the mobility and diffusivity matrices are proportional, i.e. an Einstein-like relation is satisfied, the problem has been solved in Bellettini and Mariani (Bull Greek Math Soc 57:31-45, 2010). When this proportionality does not hold, we compute explicitly the large deviation function for a step-like density profile, and we show that the associated optimal current has a non trivial structure. We also derive a lower bound for the large deviation function, valid for a more general weak solution, and leave the general large deviation function upper bound as a conjecture.

XMM-Newton X-ray and HST weak gravitational lensing study of the extremely X-ray luminous galaxy cluster Cl J120958.9+495352 ( z = 0.902)

DOE PAGES

Tholken, Sophia; Schrabback, Tim; Reiprich, Thomas H.; ...

2018-03-05

Here, observations of relaxed, massive, and distant clusters can provide important tests of standard cosmological models, for example by using the gas mass fraction. To perform this test, the dynamical state of the cluster and its gas properties have to be investigated. X-ray analyses provide one of the best opportunities to access this information and to determine important properties such as temperature profiles, gas mass, and the total X-ray hydrostatic mass. For the last of these, weak gravitational lensing analyses are complementary independent probes that are essential in order to test whether X-ray masses could be biased.

XMM-Newton X-ray and HST weak gravitational lensing study of the extremely X-ray luminous galaxy cluster Cl J120958.9+495352 ( z = 0.902)

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

Tholken, Sophia; Schrabback, Tim; Reiprich, Thomas H.

Here, observations of relaxed, massive, and distant clusters can provide important tests of standard cosmological models, for example by using the gas mass fraction. To perform this test, the dynamical state of the cluster and its gas properties have to be investigated. X-ray analyses provide one of the best opportunities to access this information and to determine important properties such as temperature profiles, gas mass, and the total X-ray hydrostatic mass. For the last of these, weak gravitational lensing analyses are complementary independent probes that are essential in order to test whether X-ray masses could be biased.

IR signature of the photoionization-induced hydrophobic-->hydrophilic site switching in phenol-Arn clusters

NASA Astrophysics Data System (ADS)

Ishiuchi, Shun-ichi; Sakai, Makoto; Tsuchida, Yuji; Takeda, Akihiro; Kawashima, Yasutake; Dopfer, Otto; Müller-Dethlefs, Klaus; Fujii, Masaaki

2007-09-01

IR spectra of phenol-Arn (PhOH-Arn) clusters with n =1 and 2 were measured in the neutral and cationic electronic ground states in order to determine the preferential intermolecular ligand binding motifs, hydrogen bonding (hydrophilic interaction) versus π bonding (hydrophobic interaction). Analysis of the vibrational frequencies of the OH stretching motion, νOH, observed in nanosecond IR spectra demonstrates that neutral PhOH-Ar and PhOH -Ar2 as well as cationic PhOH +-Ar have a π-bound structure, in which the Ar atoms bind to the aromatic ring. In contrast, the PhOH +-Ar2 cluster cation is concluded to have a H-bound structure, in which one Ar atom is hydrogen-bonded to the OH group. This π →H binding site switching induced by ionization was directly monitored in real time by picosecond time-resolved IR spectroscopy. The π-bound νOH band is observed just after the ionization and disappears simultaneously with the appearance of the H-bound νOH band. The analysis of the picosecond IR spectra demonstrates that (i) the π →H site switching is an elementary reaction with a time constant of ˜7ps, which is roughly independent of the available internal vibrational energy, (ii) the barrier for the isomerization reaction is rather low(<100cm-1), (iii) both the position and the width of the H-bound νOH band change with the delay time, and the time evolution of these spectral changes can be rationalized by intracluster vibrational energy redistribution occurring after the site switching. The observation of the ionization-induced switch from π bonding to H bonding in the PhOH +-Ar2 cation corresponds to the first manifestation of an intermolecular isomerization reaction in a charged aggregate.

Spectroscopic and functional characterization of iron-bound forms of Azotobacter vinelandii (Nif)IscA.

PubMed

Mapolelo, Daphne T; Zhang, Bo; Naik, Sunil G; Huynh, Boi Hanh; Johnson, Michael K

2012-10-16

The ability of Azotobacter vinelandii(Nif)IscA to bind Fe has been investigated to assess the role of Fe-bound forms in NIF-specific Fe-S cluster biogenesis. (Nif)IscA is shown to bind one Fe(III) or one Fe(II) per homodimer and the spectroscopic and redox properties of both the Fe(III)- and Fe(II)-bound forms have been characterized using the UV-visible absorption, circular dichroism, and variable-temperature magnetic circular dichroism, electron paramagnetic resonance, Mössbauer and resonance Raman spectroscopies. The results reveal a rhombic intermediate-spin (S = 3/2) Fe(III) center (E/D = 0.33, D = 3.5 ± 1.5 cm(-1)) that is most likely 5-coordinate with two or three cysteinate ligands and a rhombic high spin (S = 2) Fe(II) center (E/D = 0.28, D = 7.6 cm(-1)) with properties similar to reduced rubredoxins or rubredoxin variants with three cysteinate and one or two oxygenic ligands. Iron-bound (Nif)IscA undergoes reversible redox cycling between the Fe(III)/Fe(II) forms with a midpoint potential of +36 ± 15 mV at pH 7.8 (versus NHE). l-Cysteine is effective in mediating release of free Fe(II) from both the Fe(II)- and Fe(III)-bound forms of (Nif)IscA. Fe(III)-bound (Nif)IscA was also shown to be a competent iron source for in vitro NifS-mediated [2Fe-2S] cluster assembly on the N-terminal domain of NifU, but the reaction occurs via cysteine-mediated release of free Fe(II) rather than direct iron transfer. The proposed roles of A-type proteins in storing Fe under aerobic growth conditions and serving as iron donors for cluster assembly on U-type scaffold proteins or maturation of biological [4Fe-4S] centers are discussed in light of these results.

Weak Compactness and Control Measures in the Space of Unbounded Measures

PubMed Central

Brooks, James K.; Dinculeanu, Nicolae

1972-01-01

We present a synthesis theorem for a family of locally equivalent measures defined on a ring of sets. This theorem is then used to exhibit a control measure for weakly compact sets of unbounded measures. In addition, the existence of a local control measure for locally strongly bounded vector measures is proved by means of the synthesis theorem. PMID:16591980

Changes in actin structural transitions associated with oxidative inhibition of muscle contraction.

PubMed

Prochniewicz, Ewa; Spakowicz, Daniel; Thomas, David D

2008-11-11

We have used transient phosphorescence anisotropy (TPA) to detect changes in actin structural dynamics associated with oxidative inhibition of muscle contraction. Contractility of skinned rabbit psoas muscle fibers was inhibited by treatment with 50 mM H 2O 2, which induced oxidative modifications in the myosin head and in actin, as previously reported. Using proteins purified from oxidized and unoxidized muscle, we used TPA to measure the effects of weakly (+ATP) and strongly (no ATP) bound myosin heads (S1) on the microsecond dynamics of actin labeled at Cys374 with erythrosine iodoacetamide. Oxidative modification of S1 had no effect on actin dynamics in the absence of ATP (strong binding complex), but restricted the dynamics in the presence of ATP (weakly bound complex). In contrast, oxidative modification of actin did not have a significant effect on the weak-to-strong transitions. Thus, we concluded that (1) the effects of oxidation on the dynamics of actin in the actomyosin complex are predominantly determined by oxidation-induced changes in S1, and (2) changes in weak-to-strong structural transitions in actin and myosin are coupled to each other and are associated with oxidative inhibition of muscle contractility.

Changes in actin structural transitions associated with oxidative inhibition of muscle contraction

PubMed Central

Prochniewicz, Ewa; Spakowicz, Daniel; Thomas, David D.

2011-01-01

We have used transient phosphorescence anisotropy (TPA) to detect changes in actin structural dynamics associated with oxidative inhibition of muscle contraction. Contractility of skinned rabbit psoas muscle fibers was inhibited by treatment with 50 mM H2O2, which induced oxidative modifications in the myosin head and in actin, as previously reported. Using proteins purified from oxidized and unoxidized muscle, we used TPA to measure the effects of weakly (+ATP) and strongly (no ATP) bound myosin heads (S1) on the microsecond dynamics of actin labeled at Cys374 with erythrosine iodoacetamide. Oxidative modification of S1 had no effect on actin dynamics in the absence of ATP (strong binding complex), but restricted the dynamics in the presence of ATP (weakly bound complex). In contrast, oxidative modification of actin did not have a significant effect on the weak-to-strong transitions. Thus, we concluded that (1) the effects of oxidation on the dynamics of actin in the actomyosin complex are predominantly determined by oxidation-induced changes in S1, and (2) changes in weak-to-strong structural transitions in actin and myosin are coupled to each other and are associated with oxidative inhibition of muscle contractility. PMID:18855423

Chromatin tethering effects of hNopp140 are involved in the spatial organization of nucleolus and the rRNA gene transcription

PubMed Central

Tsai, Yi-Tzang; Lin, Chen-I; Chen, Hung-Kai; Lee, Kuo-Ming; Hsu, Chia-Yi; Yang, Shun-Jen

2008-01-01

The short arms of five human acrocentric chromosomes contain ribosomal gene (rDNA) clusters where numerous mini-nucleoli arise at the exit of mitosis. These small nucleoli tend to coalesce into one or a few large nucleoli during interphase by unknown mechanisms. Here, we demonstrate that the N- and C-terminal domains of a nucleolar protein, hNopp140, bound respectively to α-satellite arrays and rDNA clusters of acrocentric chromosomes for nucleolar formation. The central acidic-and-basic repeated domain of hNopp140, possessing a weak self-self interacting ability, was indispensable for hNopp140 to build up a nucleolar round-shaped structure. The N- or the C-terminally truncated hNopp140 caused nucleolar segregation and was able to alter locations of the rDNA transcription, as mediated by detaching the rDNA repeats from the acrocentric α-satellite arrays. Interestingly, an hNopp140 mutant, made by joining the N- and C-terminal domains but excluding the entire central repeated region, induced nucleolar disruption and global chromatin condensation. Furthermore, RNAi knockdown of hNopp140 resulted in dispersion of the rDNA and acrocentric α-satellite sequences away from nucleolus that was accompanied by rDNA transcriptional silence. Our findings indicate that hNopp140, a scaffold protein, is involved in the nucleolar assembly, fusion, and maintenance. PMID:18253863

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

Scott, F.; Stec, B; Pop, C

The death inducing signalling complex (DISC) formed by Fas receptor, FADD (Fas-associated death domain protein) and caspase 8 is a pivotal trigger of apoptosis1, 2, 3. The Fas-FADD DISC represents a receptor platform, which once assembled initiates the induction of programmed cell death. A highly oligomeric network of homotypic protein interactions comprised of the death domains of Fas and FADD is at the centre of DISC formation4, 5. Thus, characterizing the mechanistic basis for the Fas-FADD interaction is crucial for understanding DISC signalling but has remained unclear largely because of a lack of structural data. We have successfully formed andmore » isolated the human Fas-FADD death domain complex and report the 2.7 A crystal structure. The complex shows a tetrameric arrangement of four FADD death domains bound to four Fas death domains. We show that an opening of the Fas death domain exposes the FADD binding site and simultaneously generates a Fas-Fas bridge. The result is a regulatory Fas-FADD complex bridge governed by weak protein-protein interactions revealing a model where the complex itself functions as a mechanistic switch. This switch prevents accidental DISC assembly, yet allows for highly processive DISC formation and clustering upon a sufficient stimulus. In addition to depicting a previously unknown mode of death domain interactions, these results further uncover a mechanism for receptor signalling solely by oligomerization and clustering events.« less

Calibrating the Planck cluster mass scale with CLASH

NASA Astrophysics Data System (ADS)

Penna-Lima, M.; Bartlett, J. G.; Rozo, E.; Melin, J.-B.; Merten, J.; Evrard, A. E.; Postman, M.; Rykoff, E.

2017-08-01

We determine the mass scale of Planck galaxy clusters using gravitational lensing mass measurements from the Cluster Lensing And Supernova survey with Hubble (CLASH). We have compared the lensing masses to the Planck Sunyaev-Zeldovich (SZ) mass proxy for 21 clusters in common, employing a Bayesian analysis to simultaneously fit an idealized CLASH selection function and the distribution between the measured observables and true cluster mass. We used a tiered analysis strategy to explicitly demonstrate the importance of priors on weak lensing mass accuracy. In the case of an assumed constant bias, bSZ, between true cluster mass, M500, and the Planck mass proxy, MPL, our analysis constrains 1-bSZ = 0.73 ± 0.10 when moderate priors on weak lensing accuracy are used, including a zero-mean Gaussian with standard deviation of 8% to account for possible bias in lensing mass estimations. Our analysis explicitly accounts for possible selection bias effects in this calibration sourced by the CLASH selection function. Our constraint on the cluster mass scale is consistent with recent results from the Weighing the Giants program and the Canadian Cluster Comparison Project. It is also consistent, at 1.34σ, with the value needed to reconcile the Planck SZ cluster counts with Planck's base ΛCDM model fit to the primary cosmic microwave background anisotropies.

Interactions of NO and CO with Pd and Pt atoms

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

Smith, G.W.; Carter, E.A.

1991-03-21

The authors report ab initio generalized valence bond and correlation-consistent configuration interaction studies of CO and NO interacting with Pd and Pt atoms. They find dramatically different bonding mechanisms for the two ligands, which are easily understood in terms of changes in the electronic structure of the metal and the ligand. CO bonds to both Pd and pt by a {sigma} donor/{pi} back-bonding mechanism, yielding linear geometries. Their calculations predict that the ground ({sup 1}{Sigma}{sup +}) state of PdCO is bound by 27 kcal/mol, while the ground ({sup 1}{Sigma}{sup +}) state of PtCO is bound by only 18.5 kcal/mol. Bymore » contrast, PdNO and PtNO are both bent, with the dominant bonding involving a covalent {sigma} bond between a singly occupied metal d{sigma} orbital and the singly occupied NO 2{pi}* orbital. While the ground ({sup 2}A{prime}) state of PtNO is strongly bound (D{sub e}(Pt-NO) {approximately} 20 kcal/mol), NO binds very weakly to Pd (D{sub e}(Pd-NO) {le} 4 kcal/mol). Linear excited states ({sup 2}{Sigma} and {sup 2}{Pi}) of PtNO and PdNO are predicted to be only weakly bound or unbound. However, corresponding linear cationic states ({sup 1}{Sigma}{sup +} and {sup 3}{Pi}) are strongly bound, but the cationic bent ({sup 1}A{prime}) states are still the ground states of PtNO{sup +} and PdNO{sup +}. These stark contrasts, in which NO binds strongly to Pt but weakly to Pd while CO binds much more strongly to Pd, are due to the preference for closed-shell species to bind strongly to other closed-shell species (e.g., CO to Pd) and for radicals to bind strongly to other radicals (e.g., NO to Pt).« less

Identification of a Nfs1p-bound persulfide intermediate in Fe-S cluster synthesis by intact mitochondria.

PubMed

Pandey, Alok; Yoon, Heeyong; Lyver, Elise R; Dancis, Andrew; Pain, Debkumar

2012-09-01

Cysteine desulfurases generate a covalent persulfide intermediate from cysteine, and this activated form of sulfur is essential for the synthesis of iron-sulfur (Fe-S) clusters. In yeast mitochondria, there is a complete machinery for Fe-S cluster synthesis, including a cysteine desulfurase, Nfs1p. Here we show that following supplementation of isolated mitochondria with [(35)S]cysteine, a radiolabeled persulfide could be detected on Nfs1p. The persulfide persisted under conditions that did not permit Fe-S cluster formation, such as nucleotide and/or iron depletion of mitochondria. By contrast, under permissive conditions, the radiolabeled Nfs1p persulfide was greatly reduced and radiolabeled aconitase was formed, indicating transfer of persulfide to downstream Fe-S cluster recipients. Nfs1p in mitochondria was found to be relatively more resistant to inactivation by N-ethylmaleimide (NEM) as compared with a prokaryotic cysteine desulfurase. Mitochondria treated with NEM (1 mM) formed the persulfide on Nfs1p but failed to generate Fe-S clusters on aconitase, likely due to inactivation of downstream recipient(s) of the Nfs1p persulfide. Thus the Nfs1p-bound persulfide as described here represents a precursor en route to Fe-S cluster synthesis in mitochondria. Copyright © 2012 Elsevier B.V. and Mitochondria Research Society. All rights reserved.

Formation of mercury sulfide from Hg(II)−thiolate complexes in natural organic matter

USGS Publications Warehouse

Alain Manceau,; Cyprien Lemouchi,; Mironel Enescu,; Anne-Claire Gaillot,; Martine Lanson,; Valerie Magnin,; Pieter Glatzel,; Poulin, Brett; Ryan, Joseph N.; Aiken, George R.; Isabelle Gautier-Lunea,; Kathryn L. Nagy,

2015-01-01

Methylmercury is the environmental form of neurotoxic mercury that is biomagnified in the food chain. Methylation rates are reduced when the metal is sequestered in crystalline mercury sulfides or bound to thiol groups in macromolecular natural organic matter. Mercury sulfide minerals are known to nucleate in anoxic zones, by reaction of the thiol-bound mercury with biogenic sulfide, but not in oxic environments. We present experimental evidence that mercury sulfide forms from thiol-bound mercury alone in aqueous dark systems in contact with air. The maximum amount of nanoparticulate mercury sulfide relative to thiol-bound mercury obtained by reacting dissolved mercury and soil organic matter matches that detected in the organic horizon of a contaminated soil situated downstream from Oak Ridge, TN, in the United States. The nearly identical ratios of the two forms of mercury in field and experimental systems suggest a common reaction mechanism for nucleating the mineral. We identified a chemical reaction mechanism that is thermodynamically favorable in which thiol-bound mercury polymerizes to mercury–sulfur clusters. The clusters form by elimination of sulfur from the thiol complexes via breaking of mercury–sulfur bonds as in an alkylation reaction. Addition of sulfide is not required. This nucleation mechanism provides one explanation for how mercury may be immobilized, and eventually sequestered, in oxygenated surface environments.

Dark Energy Survey Year 1 Results: Weak Lensing Mass Calibration of redMaPPer Galaxy Clusters

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

McClintock, T.; et al.

We constrain the mass--richness scaling relation of redMaPPer galaxy clusters identified in the Dark Energy Survey Year 1 data using weak gravitational lensing. We split clusters intomore » $$4\\times3$$ bins of richness $$\\lambda$$ and redshift $z$ for $$\\lambda\\geq20$$ and $$0.2 \\leq z \\leq 0.65$$ and measure the mean masses of these bins using their stacked weak lensing signal. By modeling the scaling relation as $$\\langle M_{\\rm 200m}|\\lambda,z\\rangle = M_0 (\\lambda/40)^F ((1+z)/1.35)^G$$, we constrain the normalization of the scaling relation at the 5.0 per cent level as $$M_0 = [3.081 \\pm 0.075 ({\\rm stat}) \\pm 0.133 ({\\rm sys})] \\cdot 10^{14}\\ {\\rm M}_\\odot$$ at $$\\lambda=40$$ and $z=0.35$. The richness scaling index is constrained to be $$F=1.356 \\pm 0.051\\ ({\\rm stat})\\pm 0.008\\ ({\\rm sys})$$ and the redshift scaling index $$G=-0.30\\pm 0.30\\ ({\\rm stat})\\pm 0.06\\ ({\\rm sys})$$. These are the tightest measurements of the normalization and richness scaling index made to date. We use a semi-analytic covariance matrix to characterize the statistical errors in the recovered weak lensing profiles. Our analysis accounts for the following sources of systematic error: shear and photometric redshift errors, cluster miscentering, cluster member dilution of the source sample, systematic uncertainties in the modeling of the halo--mass correlation function, halo triaxiality, and projection effects. We discuss prospects for reducing this systematic error budget, which dominates the uncertainty on $$M_0$$. Our result is in excellent agreement with, but has significantly smaller uncertainties than, previous measurements in the literature, and augurs well for the power of the DES cluster survey as a tool for precision cosmology and upcoming galaxy surveys such as LSST, Euclid and WFIRST.« less

Precise weak lensing constraints from deep high-resolution Ks images: VLT/HAWK-I analysis of the super-massive galaxy cluster RCS2 J 232727.7-020437 at z = 0.70

NASA Astrophysics Data System (ADS)

Schrabback, Tim; Schirmer, Mischa; van der Burg, Remco F. J.; Hoekstra, Henk; Buddendiek, Axel; Applegate, Douglas; Bradač, Maruša; Eifler, Tim; Erben, Thomas; Gladders, Michael D.; Hernández-Martín, Beatriz; Hildebrandt, Hendrik; Hoag, Austin; Klaes, Dominik; von der Linden, Anja; Marchesini, Danilo; Muzzin, Adam; Sharon, Keren; Stefanon, Mauro

2018-03-01

We demonstrate that deep good-seeing VLT/HAWK-I Ks images complemented with g + z-band photometry can yield a sensitivity for weak lensing studies of massive galaxy clusters at redshifts 0.7 ≲ z ≲ 1.1, which is almost identical to the sensitivity of HST/ACS mosaics of single-orbit depth. Key reasons for this good performance are the excellent image quality frequently achievable for Ks imaging from the ground, a highly effective photometric selection of background galaxies, and a galaxy ellipticity dispersion that is noticeably lower than for optically observed high-redshift galaxy samples. Incorporating results from the 3D-HST and UltraVISTA surveys we also obtained a more accurate calibration of the source redshift distribution than previously achieved for similar optical weak lensing data sets. Here we studied the extremely massive galaxy cluster RCS2 J232727.7-020437 (z = 0.699), combining deep VLT/HAWK-I Ks images (point spread function with a 0.''35 full width at half maximum) with LBT/LBC photometry. The resulting weak lensing mass reconstruction suggests that the cluster consists of a single overdensity, which is detected with a peak significance of 10.1σ. We constrained the cluster mass to M200c/(1015 M⊙) = 2.06-0.26+0.28(stat.) ± 0.12(sys.) assuming a spherical Navarro, Frenk & White model and simulation-based priors on the concentration, making it one of the most massive galaxy clusters known in the z ≳ 0.7 Universe. We also cross-checked the HAWK-I measurements through an analysis of overlapping HST/ACS images, yielding fully consistent estimates of the lensing signal. Based on observations conducted with the ESO Very Large Telescope, the Large Binocular Telescope, and the NASA/ESA Hubble Space Telescope, as detailed in the acknowledgements.

Ab initio study of the Coulomb interaction in NbxCo clusters: Strong on-site versus weak nonlocal screening

NASA Astrophysics Data System (ADS)

Peters, L.; Şaşıoǧlu, E.; Mertig, I.; Katsnelson, M. I.

2018-01-01

By means of ab initio calculations in conjunction with the random-phase approximation (RPA) within the full-potential linearized augmented plane wave method, we study the screening of the Coulomb interaction in NbxCo (1 ≤x ≤9 ) clusters. In addition, these results are compared with pure bcc Nb bulk. We find that for all clusters the on-site Coulomb interaction in RPA is strongly screened, whereas the intersite nonlocal Coulomb interaction is weakly screened and for some clusters it is unscreened or even antiscreened. This is in strong contrast with pure Nb bulk, where the intersite Coulomb interaction is almost completely screened. Furthermore, constrained RPA calculations reveal that the contribution of the Co 3 d → 3 d channel to the total screening of the Co 3 d electrons is small. Moreover, we find that both the on-site and intersite Coulomb interaction parameters decrease in a reasonable approximation linearly with the cluster size and for clusters having more than 20 Nb atoms a transition from 0D to 3D screening is expected to take place.

LoCuSS: the near-infrared luminosity and weak-lensing mass scaling relation of galaxy clusters

NASA Astrophysics Data System (ADS)

Mulroy, Sarah L.; Smith, Graham P.; Haines, Chris P.; Marrone, Daniel P.; Okabe, Nobuhiro; Pereira, Maria J.; Egami, Eiichi; Babul, Arif; Finoguenov, Alexis; Martino, Rossella

2014-10-01

We present the first scaling relation between weak-lensing galaxy cluster mass, MWL, and near-infrared luminosity, LK. Our results are based on 17 clusters observed with wide-field instruments on Subaru, the United Kingdom Infrared Telescope, the Mayall Telescope, and the MMT. We concentrate on the relation between projected 2D weak-lensing mass and spectroscopically confirmed luminosity within 1 Mpc, modelled as M_WL ∝ LK^b, obtaining a power-law slope of b=0.83^{+0.27}_{-0.24} and an intrinsic scatter of σ _{lnM_WL|LK}=10^{+8}_{-5} per cent. Intrinsic scatter of ˜10 per cent is a consistent feature of our results regardless of how we modify our approach to measuring the relationship between mass and light. For example, deprojecting the mass and measuring both quantities within r500, that is itself obtained from the lensing analysis, yields σ _{lnM_WL|LK}=10^{+7}_{-5} per cent and b=0.97^{+0.17}_{-0.17}. We also find that selecting members based on their (J - K) colours instead of spectroscopic redshifts neither increases the scatter nor modifies the slope. Overall our results indicate that near-infrared luminosity measured on scales comparable with r500 (typically 1 Mpc for our sample) is a low scatter and relatively inexpensive proxy for weak-lensing mass. Near-infrared luminosity may therefore be a useful mass proxy for cluster cosmology experiments.

Collective gradient sensing: fundamental bounds, cluster mechanics, and cell-to-cell variability

NASA Astrophysics Data System (ADS)

Camley, Brian

Many eukaryotic cells chemotax, sensing and following chemical gradients. However, experiments have shown that even under conditions when single cells do not chemotax, small clusters may still follow a gradient. Similar collective motion is also known to occur in response to gradients in substrate stiffness or electric potential (collective durotaxis or galvanotaxis). How can cell clusters sense a gradient that individual cells ignore? I discuss possible ``collective guidance'' mechanisms underlying this motion, where individual cells measure the mean value of the attractant, but need not measure its gradient to give rise to directional motility for a cell cluster. I show that the collective guidance hypothesis can be directly tested by looking for strong orientational effects in pairs of cells chemotaxing. Collective gradient sensing also has a new wrinkle in comparison to single-cell chemotaxis: to accurately determine a gradient direction, a cluster must integrate information from cells with highly variable properties. When is cell-to-cell variation a limiting factor in sensing accuracy? I provide some initial answers, and discuss how cell clusters can sense gradients in a way that is robust to cell-to-cell variation. Interestingly, these strategies may depend on the cluster's mechanics; I develop a bound that links the cluster's chemotactic accuracy and its rheology. This suggests that in some circumstances, mechanical transitions (e.g. unjamming) can control tactic accuracy. Work supported by NIH Grant No. P01 GM078586, NIH Grant No. F32GM110983.

The nature, origin and evolution of embedded star clusters

NASA Technical Reports Server (NTRS)

Lada, Charles J.; Lada, Elizabeth A.

1991-01-01

The recent development of imaging infrared array cameras has enabled the first systematic studies of embedded protoclusters in the galaxy. Initial investigations suggest that rich embedded clusters are quite numerous and that a significant fraction of all stars formed in the galaxy may begin their lives in such stellar systems. These clusters contain extremely young stellar objects and are important laboratories for star formation research. However, observational and theoretical considerations suggest that most embedded clusters do not survive emergence from molecular clouds as bound clusters. Understanding the origin, nature, and evolution of embedded clusters requires understanding the intimate physical relation between embedded clusters and the dense molecular cloud cores from which they form.

Stacked Weak Lensing Mass Calibration: Estimators, Systematics, and Impact on Cosmological Parameter Constraints

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

Rozo, Eduardo; /U. Chicago /Chicago U., KICP; Wu, Hao-Yi

2011-11-04

When extracting the weak lensing shear signal, one may employ either locally normalized or globally normalized shear estimators. The former is the standard approach when estimating cluster masses, while the latter is the more common method among peak finding efforts. While both approaches have identical signal-to-noise in the weak lensing limit, it is possible that higher order corrections or systematic considerations make one estimator preferable over the other. In this paper, we consider the efficacy of both estimators within the context of stacked weak lensing mass estimation in the Dark Energy Survey (DES). We find that the two estimators havemore » nearly identical statistical precision, even after including higher order corrections, but that these corrections must be incorporated into the analysis to avoid observationally relevant biases in the recovered masses. We also demonstrate that finite bin-width effects may be significant if not properly accounted for, and that the two estimators exhibit different systematics, particularly with respect to contamination of the source catalog by foreground galaxies. Thus, the two estimators may be employed as a systematic cross-check of each other. Stacked weak lensing in the DES should allow for the mean mass of galaxy clusters to be calibrated to {approx}2% precision (statistical only), which can improve the figure of merit of the DES cluster abundance experiment by a factor of {approx}3 relative to the self-calibration expectation. A companion paper investigates how the two types of estimators considered here impact weak lensing peak finding efforts.« less

MC 2: Mapping the dark matter distribution of the “Toothbrush” cluster RX J0603.3+4214 with Hubble Space Telescope and Subaru weak lensing

DOE PAGES

Jee, M. James; Dawson, William A.; Stroe, Andra; ...

2016-02-01

The galaxy cluster RX J0603.3+4214 at z = 0:225 is one of the rarest clusters boasting an extremely large ( 2 Mpc) radio relic. Because of the remarkable morphology of the relic, the cluster is nicknamed the \\Toothbrush Cluster". Although the cluster's underlying mass distribution is one of the critical pieces of information needed to reconstruct the merger scenario responsible for the puzzling radio relic morphology, its proximity to the Galactic plane b 10 has imposed signi cant observational challenges. We present a high-resolution weak-lensing study of the cluster with Subaru/Suprime Cam and Hubble Space Telescope imaging data. Our massmore » reconstruction reveals that the cluster is composed of complicated dark matter substructures closely tracing the galaxy distribution, in contrast, however, with the relatively simple binary X-ray morphology. Nevertheless, we nd that the cluster mass is still dominated by the two most massive clumps aligned north-south with a 3:1 mass ratio (M 200 = 6:29 +2:24 -1:62 X 10 14M⊙ and 1:98 +1:24 -0:74 X 10 14M⊙ for the northern and southern clumps, respectively). The southern mass peak is 20 o set toward the south with respect to the corresponding X-ray peak, which has a \\bullet"-like morphology pointing south. Comparison of the current weak- lensing result with the X-ray, galaxy, and radio relic suggests that perhaps the dominant mechanism responsible for the observed relic may be a high-speed collision of the two most massive subclusters, although the peculiarity of the morphology necessitates involvement of additional subclusters. Careful numerical simulations should follow in order to obtain more complete understanding of the merger scenario utilizing all existing observations.« less

Weak-Lensing Calibration of a Stellar Mass-Based Mass Proxy for redMaPPer and Voronoi Tessellation Clusters in SDSS Stripe 82

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

Pereira, Maria E.S.; Soares-Santos, Marcelle; Makler, Martin

2017-08-10

We present the first weak lensing calibration ofmore » $$\\mu_{\\star}$$, a new galaxy cluster mass proxy corresponding to the total stellar mass of red and blue members, in two cluster samples selected from the SDSS Stripe 82 data: 230 redMaPPer clusters at redshift $$0.1\\leq z<0.33$$ and 136 Voronoi Tessellation (VT) clusters at $$0.1 \\leq z < 0.6$$. We use the CS82 shear catalog and stack the clusters in $$\\mu_{\\star}$$ bins to measure a mass-observable power law relation. For redMaPPer clusters we obtain $$M_0 = (1.77 \\pm 0.36) \\times 10^{14}h^{-1} M_{\\odot}$$, $$\\alpha = 1.74 \\pm 0.62$$. For VT clusters, we find $$M_0 = (4.31 \\pm 0.89) \\times 10^{14}h^{-1} M_{\\odot}$$, $$\\alpha = 0.59 \\pm 0.54$$ and $$M_0 = (3.67 \\pm 0.56) \\times 10^{14}h^{-1} M_{\\odot}$$, $$\\alpha = 0.68 \\pm 0.49$$ for a low and a high redshift bin, respectively. Our results are consistent, internally and with the literature, indicating that our method can be applied to any cluster finding algorithm. In particular, we recommend that $$\\mu_{\\star}$$ be used as the mass proxy for VT clusters. Catalogs including $$\\mu_{\\star}$$ measurements will enable its use in studies of galaxy evolution in clusters and cluster cosmology.« less

Weak-lensing calibration of a stellar mass-based mass proxy for redMaPPer and Voronoi Tessellation clusters in SDSS Stripe 82

DOE PAGES

Pereira, Maria E. S.; Soares-Santos, Marcelle; Makler, Martin; ...

2017-11-01

Here, we present the first weak lensing calibration of μ*, a new galaxy cluster mass proxy corresponding to the total stellar mass of red and blue members, in two cluster samples selected from the SDSS Stripe 82 data: 230 red-sequence Matched-filter Probabilistic Percolation (redMaPPer) clusters at redshift 0.1 ≤ z < 0.33 and 136 Voronoi Tessellation (VT) clusters at 0.1 ≤ z < 0.6. We use the CS82 shear catalogue and stack the clusters in μ* bins to measure a mass-observable power-law relation. For redMaPPer clusters we obtain M0 = (1.77 ± 0.36) × 10 14 h –1M ⊙, αmore » = 1.74 ± 0.62. For VT clusters, we find M 0 = (4.31 ± 0.89) × 10 14 h –1M ⊙, α = 0.59 ± 0.54 and M0 = (3.67 ± 0.56) × 10 14 h –1M ⊙, α = 0.68 ± 0.49 for a low and a high redshift bin, respectively. Our results are consistent, internally and with the literature, indicating that our method can be applied to any cluster-finding algorithm. In particular, we recommend that μ* be used as the mass proxy for VT clusters. Catalogues including μ* measurements will enable its use in studies of galaxy evolution in clusters and cluster cosmology.« less

Weak-lensing calibration of a stellar mass-based mass proxy for redMaPPer and Voronoi Tessellation clusters in SDSS Stripe 82

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

Pereira, Maria E. S.; Soares-Santos, Marcelle; Makler, Martin

Here, we present the first weak lensing calibration of μ*, a new galaxy cluster mass proxy corresponding to the total stellar mass of red and blue members, in two cluster samples selected from the SDSS Stripe 82 data: 230 red-sequence Matched-filter Probabilistic Percolation (redMaPPer) clusters at redshift 0.1 ≤ z < 0.33 and 136 Voronoi Tessellation (VT) clusters at 0.1 ≤ z < 0.6. We use the CS82 shear catalogue and stack the clusters in μ* bins to measure a mass-observable power-law relation. For redMaPPer clusters we obtain M0 = (1.77 ± 0.36) × 10 14 h –1M ⊙, αmore » = 1.74 ± 0.62. For VT clusters, we find M 0 = (4.31 ± 0.89) × 10 14 h –1M ⊙, α = 0.59 ± 0.54 and M0 = (3.67 ± 0.56) × 10 14 h –1M ⊙, α = 0.68 ± 0.49 for a low and a high redshift bin, respectively. Our results are consistent, internally and with the literature, indicating that our method can be applied to any cluster-finding algorithm. In particular, we recommend that μ* be used as the mass proxy for VT clusters. Catalogues including μ* measurements will enable its use in studies of galaxy evolution in clusters and cluster cosmology.« less

Projected Hartree-Fock theory as a polynomial of particle-hole excitations and its combination with variational coupled cluster theory

NASA Astrophysics Data System (ADS)

Qiu, Yiheng; Henderson, Thomas M.; Scuseria, Gustavo E.

2017-05-01

Projected Hartree-Fock theory provides an accurate description of many kinds of strong correlations but does not properly describe weakly correlated systems. Coupled cluster theory, in contrast, does the opposite. It therefore seems natural to combine the two so as to describe both strong and weak correlations with high accuracy in a relatively black-box manner. Combining the two approaches, however, is made more difficult by the fact that the two techniques are formulated very differently. In earlier work, we showed how to write spin-projected Hartree-Fock in a coupled-cluster-like language. Here, we fill in the gaps in that earlier work. Further, we combine projected Hartree-Fock and coupled cluster theory in a variational formulation and show how the combination performs for the description of the Hubbard Hamiltonian and for several small molecular systems.

On absence of bound states for weakly attractive δ'-interactions supported on non-closed curves in ℝ2

NASA Astrophysics Data System (ADS)

Jex, Michal; Lotoreichik, Vladimir

2016-02-01

Let Λ ⊂ ℝ2 be a non-closed piecewise-C1 curve, which is either bounded with two free endpoints or unbounded with one free endpoint. Let u±|Λ ∈ L2(Λ) be the traces of a function u in the Sobolev space H1(ℝ2∖Λ) onto two faces of Λ. We prove that for a wide class of shapes of Λ the Schrödinger operator Hω Λ with δ'-interaction supported on Λ of strength ω ∈ L∞(Λ; ℝ) associated with the quadratic form H 1 ( R 2 ∖ Λ ) ∋ u ↦ ∫ R 2 |" separators=" ∇ u | 2 d x - ∫ Λ ω |" separators=" u + | Λ - u - | Λ | 2 d s has no negative spectrum provided that ω is pointwise majorized by a strictly positive function explicitly expressed in terms of Λ. If, additionally, the domain ℝ2∖Λ is quasi-conical, we show that σ ( Hω Λ ) = [ 0 , + ∞ ) . For a bounded curve Λ in our class and non-varying interaction strength ω ∈ ℝ, we derive existence of a constant ω∗ > 0 such that σ ( Hω Λ ) = [ 0 , + ∞ ) for all ω ∈ (-∞, ω∗]; informally speaking, bound states are absent in the weak coupling regime.

Low capping group surface density on zinc oxide nanocrystals.

PubMed

Valdez, Carolyn N; Schimpf, Alina M; Gamelin, Daniel R; Mayer, James M

2014-09-23

The ligand shell of colloidal nanocrystals can dramatically affect their stability and reaction chemistry. We present a methodology to quantify the dodecylamine (DDA) capping shell of colloidal zinc oxide nanocrystals in a nonpolar solvent. Using NMR spectroscopy, three different binding regimes are observed: strongly bound, weakly associated, and free in solution. The surface density of bound DDA is constant over a range of nanocrystal sizes, and is low compared to both predictions of the number of surface cations and maximum coverages of self-assembled monolayers. The density of strongly bound DDA ligands on the as-prepared ZnO NCs is 25% of the most conservative estimate of the maximum surface DDA density. Thus, these NCs do not resemble the common picture of a densely capped surface ligand layer. Annealing the ZnO NCs in molten DDA for 12 h at 160 °C, which is thought to remove surface hydroxide groups, resulted in a decrease of the weakly associated DDA and an increase in the density of strongly bound DDA, to ca. 80% of the estimated density of a self-assembled monolayer on a flat ZnO surface. These findings suggest that as-prepared nanocrystal surfaces contain hydroxide groups (protons on the ZnO surfaces) that inhibit strong binding of DDA.

Energetic Selection of Topology in Ferredoxins

PubMed Central

Kim, J. Dongun; Rodriguez-Granillo, Agustina; Case, David A.; Nanda, Vikas; Falkowski, Paul G.

2012-01-01

Models of early protein evolution posit the existence of short peptides that bound metals and ions and served as transporters, membranes or catalysts. The Cys-X-X-Cys-X-X-Cys heptapeptide located within bacterial ferredoxins, enclosing an Fe4S4 metal center, is an attractive candidate for such an early peptide. Ferredoxins are ancient proteins and the simple α+β fold is found alone or as a domain in larger proteins throughout all three kingdoms of life. Previous analyses of the heptapeptide conformation in experimentally determined ferredoxin structures revealed a pervasive right-handed topology, despite the fact that the Fe4S4 cluster is achiral. Conformational enumeration of a model CGGCGGC heptapeptide bound to a cubane iron-sulfur cluster indicates both left-handed and right-handed folds could exist and have comparable stabilities. However, only the natural ferredoxin topology provides a significant network of backbone-to-cluster hydrogen bonds that would stabilize the metal-peptide complex. The optimal peptide configuration (alternating αL,αR) is that of an α-sheet, providing an additional mechanism where oligomerization could stabilize the peptide and facilitate iron-sulfur cluster binding. PMID:22496635

New Theoretical Developments in Exploring Electronically Excited States: Including Localized Configuration Interaction Singles and Application to Large Helium Clusters

NASA Astrophysics Data System (ADS)

Closser, Kristina Danielle

This thesis presents new developments in excited state electronic structure theory. Contrasted with the ground state, the electronically excited states of atoms and molecules often are unstable and have short lifetimes, exhibit a greater diversity of character and are generally less well understood. The very unusual excited states of helium clusters motivated much of this work. These clusters consist of large numbers of atoms (experimentally 103--109 atoms) and bands of nearly degenerate excited states. For an isolated atom the lowest energy excitation energies are from 1s → 2s and 1s → 2 p transitions, and in clusters describing the lowest energy band minimally requires four states per atom. In the ground state the clusters are weakly bound by van der Waals interactions, however in the excited state they can form well-defined covalent bonds. The computational cost of quantum chemical calculations rapidly becomes prohibitive as the size of the systems increase. Standard excited-state methods such as configuration interaction singles (CIS) and time-dependent density functional theory (TD-DFT) can be used with ≈100 atoms, and are optimized to treat only a few states. Thus, one of our primary aims is to develop a method which can treat these large systems with large numbers of nearly degenerate excited states. Additionally, excited states are generally formed far from their equilibrium structures. Vertical excitations from the ground state induce dynamics in the excited states. Thus, another focus of this work is to explore the results of these forces and the fate of the excited states. Very little was known about helium cluster excited states when this work began, thus we first investigated the excitations in small helium clusters consisting of 7 or 25 atoms using CIS. The character of these excited states was determined using attachment/detachment density analysis and we found that in the n = 2 manifold the excitations could generally be interpreted as superpositions of atomic states with surface states appearing close to the atomic excitation energies and interior states being blue shifted by up to ≈2 eV. The dynamics resulting from excitation of He_7 were subsequently explored using ab initio molecular dynamics (AIMD). These simulations were performed with classical adiabatic dynamics coupled to a new state-following algorithm on CIS potential energy surfaces. Most clusters were found to completely dissociate and resulted in a single excited atomic state (90%), however, some trajectories formed bound, He*2 (3%), and a few yielded excited trimers (<0.5%). Comparisons were made with available experimental information on much larger clusters. Various applications of this state following algorithm are also presented. In addition to AIMD, these include excited-state geometry optimization and minimal energy path finding via the growing string method. When using state following we demonstrate that more physical results can be obtained with AIMD calculations. Also, the optimized geometries of three excited states of cytosine, two of which were not found without state following, and the minimal energy path between the lowest two singlet excited states of protonated formaldimine are offered as example applications. Finally, to address large clusters, a local variation of CIS was developed. This method exploits the properties of absolutely localized molecular orbitals (ALMOs) to limit the total number of excitations to scaling only linearly with cluster size, which results in formal scaling with the third power of the system size. The derivation of the equations and design of the algorithm are discussed in detail, and computational timings as well as a pilot application to the size dependence of the helium cluster spectrum are presented.

Self-assembly of acetate adsorbates drives atomic rearrangement on the Au(110) surface

DOE PAGES

Hiebel, Fanny; Shong, Bonggeun; Chen, Wei; ...

2016-10-12

Weak inter-adsorbate interactions are shown to play a crucial role in determining surface structure, with major implications for its catalytic reactivity. This is exemplified here in the case of acetate bound to Au(110), where the small extra energy of the van der Waals interactions among the surface-bound groups drives massive restructuring of the underlying Au. Acetate is a key intermediate in electro-oxidation of CO 2 and a poison in partial oxidation reactions. Metal atom migration originates at surface defects and is likely facilitated by weakened Au–Au interactions due to bonding with the acetate. Even though the acetate is a relativelymore » small molecule, weak intermolecular interaction provides the energy required for molecular self-assembly and reorganization of the metal surface.« less

Investigation of large α production in reactions involving weakly bound 7Li

NASA Astrophysics Data System (ADS)

Pandit, S. K.; Shrivastava, A.; Mahata, K.; Parkar, V. V.; Palit, R.; Keeley, N.; Rout, P. C.; Kumar, A.; Ramachandran, K.; Bhattacharyya, S.; Nanal, V.; Palshetkar, C. S.; Nag, T. N.; Gupta, Shilpi; Biswas, S.; Saha, S.; Sethi, J.; Singh, P.; Chatterjee, A.; Kailas, S.

2017-10-01

The origin of the large α -particle production cross sections in systems involving weakly bound 7Li projectiles has been investigated by measuring the cross sections of all possible fragment-capture as well as complete fusion using the particle-γ coincidence, in-beam, and off-beam γ -ray counting techniques for the 7Li+93Nb system at near Coulomb barrier energies. Almost all of the inclusive α -particle yield has been accounted for. While the t -capture mechanism is found to be dominant (˜70 % ), compound nuclear evaporation and breakup processes contribute ˜15 % each to the inclusive α -particle production in the measured energy range. Systematic behavior of the t capture and inclusive α cross sections for reactions involving 7Li over a wide mass range is also reported.

Self-assembly of acetate adsorbates drives atomic rearrangement on the Au(110) surface

PubMed Central

Hiebel, Fanny; Shong, Bonggeun; Chen, Wei; Madix, Robert J.; Kaxiras, Efthimios; Friend, Cynthia M.

2016-01-01

Weak inter-adsorbate interactions are shown to play a crucial role in determining surface structure, with major implications for its catalytic reactivity. This is exemplified here in the case of acetate bound to Au(110), where the small extra energy of the van der Waals interactions among the surface-bound groups drives massive restructuring of the underlying Au. Acetate is a key intermediate in electro-oxidation of CO2 and a poison in partial oxidation reactions. Metal atom migration originates at surface defects and is likely facilitated by weakened Au–Au interactions due to bonding with the acetate. Even though the acetate is a relatively small molecule, weak intermolecular interaction provides the energy required for molecular self-assembly and reorganization of the metal surface. PMID:27731407

Subaru Weak-lensing Survey of Dark Matter Subhalos in the Coma Cluster: Subhalo Mass Function and Statistical Properties

NASA Astrophysics Data System (ADS)

Okabe, Nobuhiro; Futamase, Toshifumi; Kajisawa, Masaru; Kuroshima, Risa

2014-04-01

We present a 4 deg2 weak gravitational lensing survey of subhalos in the very nearby Coma cluster using the Subaru/Suprime-Cam. The large apparent size of cluster subhalos allows us to measure the mass of 32 subhalos detected in a model-independent manner, down to the order of 10-3 of the virial mass of the cluster. Weak-lensing mass measurements of these shear-selected subhalos enable us to investigate subhalo properties and the correlation between subhalo masses and galaxy luminosities for the first time. The mean distortion profiles stacked over subhalos show a sharply truncated feature which is well-fitted by a Navarro-Frenk-White (NFW) mass model with the truncation radius, as expected due to tidal destruction by the main cluster. We also found that subhalo masses, truncation radii, and mass-to-light ratios decrease toward the cluster center. The subhalo mass function, dn/dln M sub, in the range of 2 orders of magnitude in mass, is well described by a single power law or a Schechter function. Best-fit power indices of 1.09^{+0.42}_{-0.32} for the former model and 0.99_{-0.23}^{+0.34} for the latter, are in remarkable agreement with slopes of ~0.9-1.0 predicted by the cold dark matter paradigm. The tangential distortion signals in the radial range of 0.02-2 h -1 Mpc from the cluster center show a complex structure which is well described by a composition of three mass components of subhalos, the NFW mass distribution as a smooth component of the main cluster, and a lensing model from a large scale structure behind the cluster. Although the lensing signals are 1 order of magnitude lower than those for clusters at z ~ 0.2, the total signal-to-noise ratio, S/N = 13.3, is comparable, or higher, because the enormous number of background source galaxies compensates for the low lensing efficiency of the nearby cluster. Based on data collected from the Subaru Telescope and obtained from SMOKA, operated by the Astronomy Data Center, National Astronomical Observatory of Japan.

Second law of thermodynamics and quantum feedback control: Maxwell's demon with weak measurements

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

Jacobs, Kurt

2009-07-15

Recently Sagawa and Ueda [Phys. Rev. Lett. 100, 080403 (2008)] derived a bound on the work that can be extracted from a quantum system with the use of feedback control. For many quantum measurements their bound was not tight. We show that a tight version of this bound follows straightforwardly from recent work on Maxwell's demon by Alicki et al. [Open Syst. Inf. Dyn. 11, 205 (2004)], for both discrete and continuous feedback control. Our analysis also shows that bare, efficient measurements always do non-negative work on a system in equilibrium, but do not add heat.

An ionic-chemical-mechanical model for muscle contraction.

PubMed

Manning, Gerald S

2016-12-01

The dynamic process underlying muscle contraction is the parallel sliding of thin actin filaments along an immobile thick myosin fiber powered by oar-like movements of protruding myosin cross bridges (myosin heads). The free energy for functioning of the myosin nanomotor comes from the hydrolysis of ATP bound to the myosin heads. The unit step of translational movement is based on a mechanical-chemical cycle involving ATP binding to myosin, hydrolysis of the bound ATP with ultimate release of the hydrolysis products, stress-generating conformational changes in the myosin cross bridge, and relief of built-up stress in the myosin power stroke. The cycle is regulated by a transition between weak and strong actin-myosin binding affinities. The dissociation of the weakly bound complex by addition of salt indicates the electrostatic basis for the weak affinity, while structural studies demonstrate that electrostatic interactions among negatively charged amino acid residues of actin and positively charged residues of myosin are involved in the strong binding interface. We therefore conjecture that intermediate states of increasing actin-myosin engagement during the weak-to-strong binding transition also involve electrostatic interactions. Methods of polymer solution physics have shown that the thin actin filament can be regarded in some of its aspects as a net negatively charged polyelectrolyte. Here we employ polyelectrolyte theory to suggest how actin-myosin electrostatic interactions might be of significance in the intermediate stages of binding, ensuring an engaged power stroke of the myosin motor that transmits force to the actin filament, and preventing the motor from getting stuck in a metastable pre-power stroke state. We provide electrostatic force estimates that are in the pN range known to operate in the cycle. © 2016 Wiley Periodicals, Inc.

Identification of symptom and functional domains that fibromyalgia patients would like to see improved: a cluster analysis.

PubMed

Bennett, Robert M; Russell, Jon; Cappelleri, Joseph C; Bushmakin, Andrew G; Zlateva, Gergana; Sadosky, Alesia

2010-06-28

The purpose of this study was to determine whether some of the clinical features of fibromyalgia (FM) that patients would like to see improved aggregate into definable clusters. Seven hundred and eighty-eight patients with clinically confirmed FM and baseline pain > or =40 mm on a 100 mm visual analogue scale ranked 5 FM clinical features that the subjects would most like to see improved after treatment (one for each priority quintile) from a list of 20 developed during focus groups. For each subject, clinical features were transformed into vectors with rankings assigned values 1-5 (lowest to highest ranking). Logistic analysis was used to create a distance matrix and hierarchical cluster analysis was applied to identify cluster structure. The frequency of cluster selection was determined, and cluster importance was ranked using cluster scores derived from rankings of the clinical features. Multidimensional scaling was used to visualize and conceptualize cluster relationships. Six clinical features clusters were identified and named based on their key characteristics. In order of selection frequency, the clusters were Pain (90%; 4 clinical features), Fatigue (89%; 4 clinical features), Domestic (42%; 4 clinical features), Impairment (29%; 3 functions), Affective (21%; 3 clinical features), and Social (9%; 2 functional). The "Pain Cluster" was ranked of greatest importance by 54% of subjects, followed by Fatigue, which was given the highest ranking by 28% of subjects. Multidimensional scaling mapped these clusters to two dimensions: Status (bounded by Physical and Emotional domains), and Setting (bounded by Individual and Group interactions). Common clinical features of FM could be grouped into 6 clusters (Pain, Fatigue, Domestic, Impairment, Affective, and Social) based on patient perception of relevance to treatment. Furthermore, these 6 clusters could be charted in the 2 dimensions of Status and Setting, thus providing a unique perspective for interpretation of FM symptomatology.

Modelling baryonic effects on galaxy cluster mass profiles

NASA Astrophysics Data System (ADS)

Shirasaki, Masato; Lau, Erwin T.; Nagai, Daisuke

2018-06-01

Gravitational lensing is a powerful probe of the mass distribution of galaxy clusters and cosmology. However, accurate measurements of the cluster mass profiles are limited by uncertainties in cluster astrophysics. In this work, we present a physically motivated model of baryonic effects on the cluster mass profiles, which self-consistently takes into account the impact of baryons on the concentration as well as mass accretion histories of galaxy clusters. We calibrate this model using the Omega500 hydrodynamical cosmological simulations of galaxy clusters with varying baryonic physics. Our model will enable us to simultaneously constrain cluster mass, concentration, and cosmological parameters using stacked weak lensing measurements from upcoming optical cluster surveys.

CORRIGENDUM: Universal variational expansion for high-precision bound-state calculations in three-body systems. Applications to weakly bound, adiabatic and two-shell cluster systems

NASA Astrophysics Data System (ADS)

Bailey, David H.; Frolov, Alexei M.

2003-12-01

Since the above paper was published we have received a suggestion from T K Rebane that our variational energy, -402.261 928 652 266 220 998 au, for the 3S(L = 0) state from table 4 (right-hand column) is wrong in the fourth and fifth decimal digits. Our original variational energies were E(2000) = -402.192 865 226 622 099 583 au and E(3000) = -402.192 865 226 622 099 838 au. Unfortunately, table 4 contains a simple typographic error. The first two digits after the decimal point (26) in the published energies must be removed. Then the results exactly coincide with the original energies. These digits (26) were left in table 4 from the original version, which also included the 2S(L = 0) states of the helium-muonic atoms. A similar typographic error was found in table 4 of another paper by A M Frolov (2001 J. Phys. B: At. Mol. Opt. Phys. 34 3813). The computed ground state energy for the ppµ muonic molecular ion was -0.494 386 820 248 934 546 94 mau. In table 4 of that paper the first figure '8' (fifth digit after the decimal point) was lost from the energy value presented in this table. We wish to thank T K Rebane of the Fock Physical Institute in St Petersburg for pointing out the misprint related to the helium(4)-muonic atom.

Parameters of oscillation generation regions in open star cluster models

NASA Astrophysics Data System (ADS)

Danilov, V. M.; Putkov, S. I.

2017-07-01

We determine the masses and radii of central regions of open star cluster (OCL) models with small or zero entropy production and estimate the masses of oscillation generation regions in clustermodels based on the data of the phase-space coordinates of stars. The radii of such regions are close to the core radii of the OCL models. We develop a new method for estimating the total OCL masses based on the cluster core mass, the cluster and cluster core radii, and radial distribution of stars. This method yields estimates of dynamical masses of Pleiades, Praesepe, and M67, which agree well with the estimates of the total masses of the corresponding clusters based on proper motions and spectroscopic data for cluster stars.We construct the spectra and dispersion curves of the oscillations of the field of azimuthal velocities v φ in OCL models. Weak, low-amplitude unstable oscillations of v φ develop in cluster models near the cluster core boundary, and weak damped oscillations of v φ often develop at frequencies close to the frequencies of more powerful oscillations, which may reduce the non-stationarity degree in OCL models. We determine the number and parameters of such oscillations near the cores boundaries of cluster models. Such oscillations points to the possible role that gradient instability near the core of cluster models plays in the decrease of the mass of the oscillation generation regions and production of entropy in the cores of OCL models with massive extended cores.

Physics of a rapid CD4 lymphocyte count with colloidal gold.

PubMed

Hansen, P; Barry, D; Restell, A; Sylvia, D; Magnin, O; Dombkowski, D; Preffer, F

2012-03-01

The inherent surface charges and small diameters that confer colloidal stability to gold particle conjugates (immunogold) are detrimental to rapid cell surface labeling and distinct cluster definition in flow cytometric light scatter assays. Although the inherent immunogold surface charge prevents self aggregation when stored in liquid suspension, it also slows binding to cells to timeframes of hours and inhibits cell surface coverage. Although the small diameter of immunogold particles prevents settling when in liquid suspension, small particles have small light scattering cross sections and weak light scatter signals. We report a new, small particle lyophilized immunogold reagent that maintains activity after 42°C storage for a year and can be rapidly dissolved into stable liquid suspension for use in labelling cells with larger particle aggregates that have enhanced scattering cross section. Labeling requires less than 1 min at 20°C, which is ∼30 times faster than customary fluorescent antibody labeling. The labeling step involves neutralizing the surface charge of immunogold and creating specifically bound aggregates of gold on the cell surface. This process provides distinct side-scatter cluster separation with blue laser light at 488 nm, which is further improved by using red laser light at 640 nm. Similar comparisons using LED light sources showed less improvement with red light, thereby indicating that coherent light scatter is of significance in enhancing side-scatter cluster separation. The physical principles elucidated here for this technique are compatible with most flow cytometers; however, future studies of its clinical efficacy should be of primary interest in point-of-care applications where robust reagents and rapid results are important. Copyright © 2011 International Society for Advancement of Cytometry.

Structural Analysis of Single Domain Antibodies Bound to a Second Neutralizing Hot Spot on Ricin Toxin's Enzymatic Subunit.

PubMed

Rudolph, Michael J; Vance, David J; Cassidy, Michael S; Rong, Yinghui; Mantis, Nicholas J

2017-01-20

Ricin toxin is a heterodimer consisting of RTA, a ribosome-inactivating protein, and RTB, a lectin that facilitates receptor-mediated uptake into mammalian cells. In previous studies, we demonstrated that toxin-neutralizing antibodies target four spatially distinct hot spots on RTA, which we refer to as epitope clusters I-IV. In this report, we identified and characterized three single domain camelid antibodies (V H H) against cluster II. One of these V H Hs, V5E1, ranks as one of the most potent ricin-neutralizing antibodies described to date. We solved the X-ray crystal structures of each of the three V H Hs (E1, V1C7, and V5E1) in complex with RTA. V5E1 buries a total of 1,133 Å 2 of surface area on RTA and makes primary contacts with α-helix A (residues 18-32), α-helix F (182-194), as well as the F-G loop. V5E1, by virtue of complementarity determining region 3 (CDR3), may also engage with RTB and potentially interfere with the high affinity galactose-recognition element that plays a critical role in toxin attachment to cell surfaces and intracellular trafficking. The two other V H Hs, E1 and V1C7, bind epitopes adjacent to V5E1 but display only weak toxin neutralizing activity, thereby providing structural insights into specific residues within cluster II that may be critical contact points for toxin inactivation. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

Bound states of water in gelatin discriminated by near-infrared spectroscopy

NASA Astrophysics Data System (ADS)

Otsuka, Yukiko; Shirakashi, Ryo; Hirakawa, Kazuhiko

2017-11-01

By near-infrared spectroscopy, we classified water molecules in hydrated gelatin membranes in a drying process. Absorbance spectra in the frequency range of 4500-5500 cm-1 were resolved into three peaks, S0, S1, and S2, that correspond to water molecules with different hydrogen bond states. From the areas of the absorbance peaks as a function of the water content of gelatin, together with the information on the freezing properties of water measured by differential scanning calorimetry, we found that, when the water content is less than 20%, free water disappears and only weakly and strongly bound waters remain. We also found that the weakly bound water consists of S0, S1, and S2 water molecules with a simple composition of \\text{S}0:\\text{S}1:\\text{S}2 ≈ 1:2:0. Using this information, most of the freezable water was determined to be free water. Our classification provides a simple method of estimating the retention and freezing properties of processed foods or drugs by infrared spectroscopy.

Ligand-modified metal clusters for gas separation and purification

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

Okrut, Alexander; Ouyang, Xiaoying; Runnebaum, Ron

2017-02-21

Provided is an organic ligand-bound metal surface that selects one gaseous species over another. The species can be closely sized molecular species having less than 1 Angstrom difference in kinetic diameter. In one embodiment, the species comprise carbon monoxide and ethylene. Such organic ligand-bound metal surfaces can be successfully used in gas phase separations or purifications, sensing, and in catalysis.

THE MASS-RICHNESS RELATION OF MaxBCG CLUSTERS FROM QUASAR LENSING MAGNIFICATION USING VARIABILITY

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

Bauer, Anne H.; Baltay, Charles; Ellman, Nancy

2012-04-10

Accurate measurement of galaxy cluster masses is an essential component not only in studies of cluster physics but also for probes of cosmology. However, different mass measurement techniques frequently yield discrepant results. The Sloan Digital Sky Survey MaxBCG catalog's mass-richness relation has previously been constrained using weak lensing shear, Sunyaev-Zeldovich (SZ), and X-ray measurements. The mass normalization of the clusters as measured by weak lensing shear is {approx}>25% higher than that measured using SZ and X-ray methods, a difference much larger than the stated measurement errors in the analyses. We constrain the mass-richness relation of the MaxBCG galaxy cluster catalogmore » by measuring the gravitational lensing magnification of type I quasars in the background of the clusters. The magnification is determined using the quasars' variability and the correlation between quasars' variability amplitude and intrinsic luminosity. The mass-richness relation determined through magnification is in agreement with that measured using shear, confirming that the lensing strength of the clusters implies a high mass normalization and that the discrepancy with other methods is not due to a shear-related systematic measurement error. We study the dependence of the measured mass normalization on the cluster halo orientation. As expected, line-of-sight clusters yield a higher normalization; however, this minority of haloes does not significantly bias the average mass-richness relation of the catalog.« less

Isomer-Specific IR Spectroscopy of BENZENE-(WATER)N Clusters with N=1-8: New Insights from the Water Bend Fundamentals and Isotopically Substituted Clusters

NASA Astrophysics Data System (ADS)

Kusaka, Ryoji; Walsh, Patrick S.; Zwier, Timothy S.

2014-06-01

This talk will focus on the isomer-specific IR spectra of benzene-(water)n (BWn) clusters with n = 1-8, returning to a topic studied by our group some 20 years ago, but now with higher resolution (OH stretch region), with inclusion of data from isotopically substituted clusters, and with extension into the HOH bending mode region. Spectra are recorded using resonant ion-dip infrared spectroscopy, an IR-UV double resonance method. Isomer-specific IR spectra in the regions of OH, OD stretches and HOH, HOD bend of benzene-H_2O, -D_2O, -HOD, -(H_2O)_2, -(D_2O)_2, -HOD-DOD were recorded in order to investigate in greater detail the intermolecular potential energy surface between water and benzene. These spectra show strong combination bands in addition to the OH/OD stretch fundamentals arising from large-amplitude "tumbling" and tunneling along internal rotation and torsion coordinates of water(s) on the surface of benzene. Interestingly, the number of extra bands and spectral patterns change dramatically depending on cluster size, the kind of deuterated isomer, and the spectral region probed. In larger clusters with n=3-8, the water HOH bending region is explored for the first time. The prominent bending mode transitions in BW1-8 are spread over a relatively small range (1610-1660 wn), and shift with cluster size in a way that reflects the known structural changes that accompany the increase in size. By comparison of experiment with calculation, it is possible to assign the experimentally observed 1614 wn transition of BW1 and 1615 wn of BW2 bands to the π-bound water molecule. The 1620-1660 wn bands of BW3-8 are due to water molecules that can be categorized as single-acceptor, single-donor (AD) hydrogen-bonded waters. In the case of single-acceptor, double-donor (ADD) water molecules, which are expected to be seen from BW6,a they show higher-frequency bending vibrations and weaker IR intensity, which would correspond to very weakly observed bands in 1660-1750 wn for BW6-8. R. N. Pribble and T. S. Zwier, Science, 1994, 265, 75-79.

Ionization of doped helium nanodroplets: Complexes of C60 with water clusters

NASA Astrophysics Data System (ADS)

Denifl, S.; Zappa, F.; Mähr, I.; Mauracher, A.; Probst, M.; Urban, J.; Mach, P.; Bacher, A.; Bohme, D. K.; Echt, O.; Märk, T. D.; Scheier, P.

2010-06-01

Water clusters are known to undergo an autoprotonation reaction upon ionization by photons or electron impact, resulting in the formation of (H2O)nH3O+. Ejection of OH cannot be quenched by near-threshold ionization; it is only partly quenched when clusters are complexed with inert gas atoms. Mass spectra recorded by electron ionization of water-doped helium droplets show that the helium matrix also fails to quench OH loss. The situation changes drastically when helium droplets are codoped with C60. Charged C60-water complexes are predominantly unprotonated; C60(H2O)4+ and (C60)2(H2O)4+ appear with enhanced abundance. Another intense ion series is due to C60(H2O)nOH+; dehydrogenation is proposed to be initiated by charge transfer between the primary He+ ion and C60. The resulting electronically excited C60+∗ leads to the formation of a doubly charged C60-water complex either via emission of an Auger electron from C60+∗, or internal Penning ionization of the attached water complex, followed by charge separation within {C60(H2O)n}2+. This mechanism would also explain previous observations of dehydrogenation reactions in doped helium droplets. Mass-analyzed ion kinetic energy scans reveal spontaneous (unimolecular) dissociation of C60(H2O)n+. In addition to the loss of single water molecules, a prominent reaction channel yields bare C60+ for sizes n=3, 4, or 6. Ab initio Hartree-Fock calculations for C60-water complexes reveal negligible charge transfer within neutral complexes. Cationic complexes are well described as water clusters weakly bound to C60+. For n=3, 4, or 6, fissionlike desorption of the entire water complex from C60(H2O)n+ energetically competes with the evaporation of a single water molecule.

New insights into silica-based NMR “chromatography”

NASA Astrophysics Data System (ADS)

Pemberton, Chava; Hoffman, Roy; Aserin, Abraham; Garti, Nissim

2011-02-01

Silica is used as an important component for NMR “chromatography”. In this study the effect of the binding strength to silica of a variety of compounds on their diffusion rate is measured for the first time. Over two orders of magnitude of diffusion difference enhancement was obtained in the presence of silica for some compounds. An explanation of the enhancement is given that also allows one to predict the “chromatographic” behavior of new compounds or mixtures. The binding strength is divided into categories of weakly bound, singly bound and multiply bound. Carboxylates, sulfonates, and diols are found to be particularly strongly bound and to diffuse up to 2½ orders of magnitude more slowly in the presence of silica.

Kinetic Assembly of Near-IR Active Gold Nanoclusters using Weakly Adsorbing Polymers to Control Size

PubMed Central

Tam, Jasmine M.; Murthy, Avinash K.; Ingram, Davis R.; Nguyen, Robin; Sokolov, Konstantin V.; Johnston, Keith P.

2013-01-01

Clusters of metal nanoparticles with an overall size less than 100 nm and high metal loadings for strong optical functionality, are of interest in various fields including microelectronics, sensors, optoelectronics and biomedical imaging and therapeutics. Herein we assemble ~5 nm gold particles into clusters with controlled size, as small as 30 nm and up to 100 nm, which contain only small amounts of polymeric stabilizers. The assembly is kinetically controlled with weakly adsorbing polymers, PLA(2K)-b-PEG(10K)-b-PLA(2K) or PEG (MW = 3350), by manipulating electrostatic, van der Waals (VDW), steric, and depletion forces. The cluster size and optical properties are tuned as a function of particle volume fractions and polymer/gold ratios to modulate the interparticle interactions. The close spacing between the constituent gold nanoparticles and high gold loadings (80–85% w/w gold) produce a strong absorbance cross section of ~9×10−15 m2 in the NIR at 700 nm. This morphology results from VDW and depletion attractive interactions that exclude the weakly adsorbed polymeric stabilizer from the cluster interior. The generality of this kinetic assembly platform is demonstrated for gold nanoparticles with a range of surface charges from highly negative to neutral, with the two different polymers. PMID:20361735

Constraints on the dark matter and dark energy interactions from weak lensing bispectrum tomography

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

An, Rui; Feng, Chang; Wang, Bin, E-mail: an_rui@sjtu.edu.cn, E-mail: chang.feng@uci.edu, E-mail: wang_b@sjtu.edu.cn

We estimate uncertainties of cosmological parameters for phenomenological interacting dark energy models using weak lensing convergence power spectrum and bispectrum. We focus on the bispectrum tomography and examine how well the weak lensing bispectrum with tomography can constrain the interactions between dark sectors, as well as other cosmological parameters. Employing the Fisher matrix analysis, we forecast parameter uncertainties derived from weak lensing bispectra with a two-bin tomography and place upper bounds on strength of the interactions between the dark sectors. The cosmic shear will be measured from upcoming weak lensing surveys with high sensitivity, thus it enables us to usemore » the higher order correlation functions of weak lensing to constrain the interaction between dark sectors and will potentially provide more stringent results with other observations combined.« less

The Basic Leucine Zipper Stress Response Regulator Yap5 Senses High-Iron Conditions by Coordination of [2Fe-2S] Clusters

PubMed Central

Rietzschel, Nicole; Pierik, Antonio J.; Bill, Eckhard; Mühlenhoff, Ulrich

2014-01-01

Iron is an essential, yet at elevated concentrations toxic trace element. To date, the mechanisms of iron sensing by eukaryotic iron-responsive transcription factors are poorly understood. The Saccharomyces cerevisiae transcription factor Yap5, a member of the Yap family of bZIP stress response regulators, administrates the adaptive response to high-iron conditions. Despite the central role of the iron-sensing process for cell viability, the molecule perceived by Yap5 and the underlying regulatory mechanisms are unknown. Here, we show that Yap5 senses high-iron conditions by two Fe/S clusters bound to its activator domain (Yap5-AD). The more stable iron-regulatory Fe/S cluster at the N-terminal cysteine-rich domain (n-CRD) of Yap5 is detected in vivo and in vitro. The second cluster coordinated by the C-terminal CRD can only be shown after chemical reconstitution, since it is bound in a labile fashion. Both clusters are of the [2Fe-2S] type as characterized by UV/visible (UV/Vis), circular dichroism, electron paramagnetic resonance (EPR), and Mössbauer spectroscopy. Fe/S cluster binding to Yap5-AD induces a conformational change that may activate transcription. The cluster-binding motif of the n-CRD domain is highly conserved in HapX-like transcription factors of pathogenic fungi and thus may represent a general sensor module common to many eukaryotic stress response regulators. PMID:25368382

Pair-Wise and Many-Body Dispersive Interactions Coupled to an Optimally Tuned Range-Separated Hybrid Functional.

PubMed

Agrawal, Piyush; Tkatchenko, Alexandre; Kronik, Leeor

2013-08-13

We propose a nonempirical, pair-wise or many-body dispersion-corrected, optimally tuned range-separated hybrid functional. This functional retains the advantages of the optimal-tuning approach in the prediction of the electronic structure. At the same time, it gains accuracy in the prediction of binding energies for dispersively bound systems, as demonstrated on the S22 and S66 benchmark sets of weakly bound dimers.

Scaling Relations and Overabundance of Massive Clusters at z >~ 1 from Weak-lensing Studies with the Hubble Space Telescope

NASA Astrophysics Data System (ADS)

Jee, M. J.; Dawson, K. S.; Hoekstra, H.; Perlmutter, S.; Rosati, P.; Brodwin, M.; Suzuki, N.; Koester, B.; Postman, M.; Lubin, L.; Meyers, J.; Stanford, S. A.; Barbary, K.; Barrientos, F.; Eisenhardt, P.; Ford, H. C.; Gilbank, D. G.; Gladders, M. D.; Gonzalez, A.; Harris, D. W.; Huang, X.; Lidman, C.; Rykoff, E. S.; Rubin, D.; Spadafora, A. L.

2011-08-01

We present weak gravitational lensing analysis of 22 high-redshift (z >~ 1) clusters based on Hubble Space Telescope images. Most clusters in our sample provide significant lensing signals and are well detected in their reconstructed two-dimensional mass maps. Combining the current results and our previous weak-lensing studies of five other high-z clusters, we compare gravitational lensing masses of these clusters with other observables. We revisit the question whether the presence of the most massive clusters in our sample is in tension with the current ΛCDM structure formation paradigm. We find that the lensing masses are tightly correlated with the gas temperatures and establish, for the first time, the lensing mass-temperature relation at z >~ 1. For the power-law slope of the M-TX relation (MvpropT α), we obtain α = 1.54 ± 0.23. This is consistent with the theoretical self-similar prediction α = 3/2 and with the results previously reported in the literature for much lower redshift samples. However, our normalization is lower than the previous results by 20%-30%, indicating that the normalization in the M-TX relation might evolve. After correcting for Eddington bias and updating the discovery area with a more conservative choice, we find that the existence of the most massive clusters in our sample still provides a tension with the current ΛCDM model. The combined probability of finding the four most massive clusters in this sample after the marginalization over cosmological parameters is less than 1%. Based on observations made with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 5-26555, under program 9290, 9919, and 10496.

Understanding the evolution of luminescent gold quantum clusters in protein templates.

PubMed

Chaudhari, Kamalesh; Xavier, Paulrajpillai Lourdu; Pradeep, Thalappil

2011-11-22

We show that the time-dependent biomineralization of Au(3+) by native lactoferrin (NLf) and bovine serum albumin (BSA) resulting in near-infrared (NIR) luminescent gold quantum clusters (QCs) occurs through a protein-bound Au(1+) intermediate and subsequent emergence of free protein. The evolution was probed by diverse tools, principally, using matrix-assisted laser desorption ionization mass spectrometry (MALDI MS), X-ray photoelectron spectroscopy (XPS), and photoluminescence spectroscopy (PL). The importance of alkaline pH in the formation of clusters was probed. At neutral pH, a Au(1+)-protein complex was formed (starting from Au(3+)) with the binding of 13-14 gold atoms per protein. When the pH was increased above 12, these bound gold ions were further reduced to Au(0) and nucleation and growth of cluster commenced, which was corroborated by the beginning of emission; at this point, the number of gold atoms per protein was ~25, suggesting the formation of Au(25). During the cluster evolution, at certain time intervals, for specific molar ratios of gold and protein, occurrence of free protein was noticed in the mass spectra, suggesting a mixture of products and gold ion redistribution. By providing gold ions at specific time of the reaction, monodispersed clusters with enhanced luminescence could be obtained, and the available quantity of free protein could be utilized efficiently. Monodispersed clusters would be useful in obtaining single crystals of protein-protected noble metal quantum clusters where homogeneity of the system is of primary concern. © 2011 American Chemical Society

Not all stars form in clusters - measuring the kinematics of OB associations with Gaia

NASA Astrophysics Data System (ADS)

Ward, Jacob L.; Kruijssen, J. M. Diederik

2018-04-01

It is often stated that star clusters are the fundamental units of star formation and that most (if not all) stars form in dense stellar clusters. In this monolithic formation scenario, low-density OB associations are formed from the expansion of gravitationally bound clusters following gas expulsion due to stellar feedback. N-body simulations of this process show that OB associations formed this way retain signs of expansion and elevated radial anisotropy over tens of Myr. However, recent theoretical and observational studies suggest that star formation is a hierarchical process, following the fractal nature of natal molecular clouds and allowing the formation of large-scale associations in situ. We distinguish between these two scenarios by characterizing the kinematics of OB associations using the Tycho-Gaia Astrometric Solution catalogue. To this end, we quantify four key kinematic diagnostics: the number ratio of stars with positive radial velocities to those with negative radial velocities, the median radial velocity, the median radial velocity normalized by the tangential velocity, and the radial anisotropy parameter. Each quantity presents a useful diagnostic of whether the association was more compact in the past. We compare these diagnostics to models representing random motion and the expanding products of monolithic cluster formation. None of these diagnostics show evidence of expansion, either from a single cluster or multiple clusters, and the observed kinematics are better represented by a random velocity distribution. This result favours the hierarchical star formation model in which a minority of stars forms in bound clusters and large-scale, hierarchically structured associations are formed in situ.

The charge conserving Poisson-Boltzmann equations: Existence, uniqueness, and maximum principle

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

Lee, Chiun-Chang, E-mail: chlee@mail.nhcue.edu.tw

2014-05-15

The present article is concerned with the charge conserving Poisson-Boltzmann (CCPB) equation in high-dimensional bounded smooth domains. The CCPB equation is a Poisson-Boltzmann type of equation with nonlocal coefficients. First, under the Robin boundary condition, we get the existence of weak solutions to this equation. The main approach is variational, based on minimization of a logarithm-type energy functional. To deal with the regularity of weak solutions, we establish a maximum modulus estimate for the standard Poisson-Boltzmann (PB) equation to show that weak solutions of the CCPB equation are essentially bounded. Then the classical solutions follow from the elliptic regularity theorem.more » Second, a maximum principle for the CCPB equation is established. In particular, we show that in the case of global electroneutrality, the solution achieves both its maximum and minimum values at the boundary. However, in the case of global non-electroneutrality, the solution may attain its maximum value at an interior point. In addition, under certain conditions on the boundary, we show that the global non-electroneutrality implies pointwise non-electroneutrality.« less

Arabidopsis thaliana Nfu2 accommodates [2Fe-2S] or [4Fe-4S] clusters and is competent for in vitro maturation of chloroplast [2Fe-2S] and [4Fe-4S] cluster-containing proteins†

PubMed Central

Gao, Huanyao; Subramanian, Sowmya; Couturier, Jérémy; Naik, Sunil; Kim, Sung-Kun; Leustek, Thomas; Knaff, David B.; Wu, Hui-Chen; Vignols, Florence; Huynh, Boi Hanh; Rouhier, Nicolas; Johnson, Michael K.

2013-01-01

Nfu-type proteins are essential in the biogenesis of iron-sulfur (Fe-S) clusters in numerous organisms. A number of phenotypes including low levels of Fe-S cluster incorporation are associated with deletion of the gene encoding a chloroplast-specific Nfu-type protein, Nfu2 from Arabidopsis thaliana (AtNfu2). Here we report that recombinant AtNfu2 is able to assemble both [2Fe-2S] and [4Fe-4S] clusters. Analytical data and gel filtration studies support cluster/protein stoichiometries of one [2Fe-2S] cluster/homotetramer and one [4Fe-4S] cluster/homodimer. The combination of UV-visible absorption and circular dichroism, resonance Raman and Mössbauer spectroscopies has been employed to investigate the nature, properties and transfer of the clusters assembled on Nfu2. The results are consistent with subunit-bridging [2Fe-2S]2+ and [4Fe-4S]2+ clusters coordinated by the cysteines in the conserved CXXC motif. The results also provided insight into the specificity of Nfu2 for maturation of chloroplastic Fe-S proteins via intact, rapid and quantitative cluster transfer. [2Fe-2S] cluster-bound Nfu2 is shown to be an effective [2Fe-2S]2+ cluster donor for glutaredoxin S16, but not glutaredoxin S14. Moreover, [4Fe-4S] cluster-bound Nfu2 is shown to be a very rapid and efficient [4Fe-4S]2+ cluster donor for adenosine 5′-phosphosulfate reductase (APR1) and yeast two-hybrid studies indicate that APR1 forms a complex with Nfu2, but not with Nfu1 and Nfu3, the two other chloroplastic Nfu proteins. This cluster transfer is likely to be physiologically relevant and is particularly significant for plant metabolism as APR1 catalyzes the second step in reductive sulfur assimilation which ultimately results in the biosynthesis of cysteine, methionine, glutathione, and Fe-S clusters. PMID:24032747

Herschel-ATLAS/GAMA: SDSS cross-correlation induced by weak lensing

NASA Astrophysics Data System (ADS)

González-Nuevo, J.; Lapi, A.; Negrello, M.; Danese, L.; De Zotti, G.; Amber, S.; Baes, M.; Bland-Hawthorn, J.; Bourne, N.; Brough, S.; Bussmann, R. S.; Cai, Z.-Y.; Cooray, A.; Driver, S. P.; Dunne, L.; Dye, S.; Eales, S.; Ibar, E.; Ivison, R.; Liske, J.; Loveday, J.; Maddox, S.; Michałowski, M. J.; Robotham, A. S. G.; Scott, D.; Smith, M. W. L.; Valiante, E.; Xia, J.-Q.

2014-08-01

We report a highly significant (>10σ) spatial correlation between galaxies with S350 μm ≥ 30 mJy detected in the equatorial fields of the Herschel Astrophysical Terahertz Large Area Survey (H-ATLAS) with estimated redshifts ≳ 1.5, and Sloan Digital Sky Survey (SDSS) or Galaxy And Mass Assembly (GAMA) galaxies at 0.2 ≤ z ≤ 0.6. The significance of the cross-correlation is much higher than those reported so far for samples with non-overlapping redshift distributions selected in other wavebands. Extensive, realistic simulations of clustered sub-mm galaxies amplified by foreground structures confirm that the cross-correlation can be explained by weak gravitational lensing (μ < 2). The simulations also show that the measured amplitude and range of angular scales of the signal are larger than can be accounted for by galaxy-galaxy weak lensing. However, for scales ≲ 2 arcmin, the signal can be reproduced if SDSS/GAMA galaxies act as signposts of galaxy groups/clusters with halo masses in the range 1013.2-1014.5 M⊙. The signal detected on larger scales appears to reflect the clustering of such haloes.

Elucidation of the Pattern of the Onset of Male Lower Urinary Tract Symptoms Using Cluster Analysis: Efficacy of Tamsulosin in Each Symptom Group.

PubMed

Aikawa, Ken; Kataoka, Masao; Ogawa, Soichiro; Akaihata, Hidenori; Sato, Yuichi; Yabe, Michihiro; Hata, Junya; Koguchi, Tomoyuki; Kojima, Yoshiyuki; Shiragasawa, Chihaya; Kobayashi, Toshimitsu; Yamaguchi, Osamu

2015-08-01

To present a new grouping of male patients with lower urinary tract symptoms (LUTS) based on symptom patterns and clarify whether the therapeutic effect of α1-blocker differs among the groups. We performed secondary analysis of anonymous data from 4815 patients enrolled in a postmarketing surveillance study of tamsulosin in Japan. Data on 7 International Prostate Symptom Score (IPSS) items at the initial visit were used in the cluster analysis. IPSS and quality of life (QOL) scores before and after tamsulosin treatment for 12 weeks were assessed in each cluster. Partial correlation coefficients were also obtained for IPSS and QOL scores based on changes before and after treatment. Five symptom groups were identified by cluster analysis of IPSS. On their symptom profile, each cluster was labeled as minimal type (cluster 1), multiple severe type (cluster 2), weak stream type (cluster 3), storage type (cluster 4), and voiding type (cluster 5). Prevalence and the mean symptom score were significantly improved in almost all symptoms in all clusters by tamsulosin treatment. Nocturia and weak stream had the strongest effect on QOL in clusters 1, 2, and 4 and clusters 3 and 5, respectively. The study clarified that 5 characteristic symptom patterns exist by cluster analysis of IPSS in male patients with LUTS. Tamsulosin improved various symptoms and QOL in each symptom group. The study reports many male patients with LUTS being satisfied with monotherapy using tamsulosin and suggests the usefulness of α1-blockers as a drug of first choice. Copyright © 2015 Elsevier Inc. All rights reserved.

Importance of lifetime effects in breakup and suppression of complete fusion in reactions of weakly bound nuclei

NASA Astrophysics Data System (ADS)

Cook, K. J.; Simpson, E. C.; Luong, D. H.; Kalkal, Sunil; Dasgupta, M.; Hinde, D. J.

2016-06-01

Background: Complete fusion cross sections in collisions of light weakly bound nuclei and high-Z targets show suppression of complete fusion at above-barrier energies. This has been interpreted as resulting from the breakup of the weakly bound nucleus prior to reaching the fusion barrier, reducing the probability of complete charge capture. Below-barrier studies of reactions of 9Be have found that the breakup of 8Be formed by neutron stripping dominates over direct breakup and that transfer-triggered breakup may account for the observed suppression of complete fusion. Purpose: This paper investigates how the above conclusions are affected by lifetimes of the resonant states that are populated prior to breakup. If the mean life of a populated resonance (above the breakup threshold) is much longer than the fusion time scale, then its breakup (decay) cannot suppress complete fusion. For short-lived resonances, the situation is more complex. This work explicitly includes the mean life of the short-lived 2+ resonance in 8Be in classical dynamical model calculations to determine its effect on energy and angular correlations of the breakup fragments and on model predictions of suppression of cross sections for complete fusion at above-barrier energies. Method: Previously performed coincidence measurements of breakup fragments produced in reactions of 9Be with 144Sm, 168Er, 186W, 196Pt, 208Pb, and 209Bi at energies below the barrier have been reanalyzed using an improved efficiency determination of the BALiN detector array. Predictions of breakup observables and of complete and incomplete fusion at energies above the fusion barrier are then made using the classical dynamical simulation code platypus, modified to include the effect of lifetimes of resonant states. Results: The agreement of the breakup observables is much improved when lifetime effects are included explicitly. Sensitivity to subzeptosecond lifetime is observed. The predicted suppression of complete fusion owing to breakup is nearly independent of Z and has an average value of ˜9 % . This is below the experimentally determined fusion suppression, which is typically ˜30 % in these systems. Conclusions: Inclusion of resonance lifetimes is essential to correctly reproduce breakup observables. This results in a larger fraction of nuclei remaining intact at the fusion-barrier radius compared with calculations that do not explicitly include lifetime effects. The more realistic treatment of breakup followed in this work leads to the conclusion that the suppression of complete fusion cannot be fully explained by breakup prior to reaching the fusion barrier. Only one-third of the observed fusion suppression can be attributed to the competing process of breakup. Other mechanisms that can suppress complete fusion must therefore be investigated. One of the possible candidates is cluster transfer that produces the same heavy targetlike nuclei as those formed by incomplete fusion.

Mass Modeling of Frontier Fields Cluster MACS J1149.5+2223 Using Strong and Weak Lensing

NASA Astrophysics Data System (ADS)

Finney, Emily Quinn; Bradač, Maruša; Huang, Kuang-Han; Hoag, Austin; Morishita, Takahiro; Schrabback, Tim; Treu, Tommaso; Borello Schmidt, Kasper; Lemaux, Brian C.; Wang, Xin; Mason, Charlotte

2018-05-01

We present a gravitational-lensing model of MACS J1149.5+2223 using ultra-deep Hubble Frontier Fields imaging data and spectroscopic redshifts from HST grism and Very Large Telescope (VLT)/MUSE spectroscopic data. We create total mass maps using 38 multiple images (13 sources) and 608 weak-lensing galaxies, as well as 100 multiple images of 31 star-forming regions in the galaxy that hosts supernova Refsdal. We find good agreement with a range of recent models within the HST field of view. We present a map of the ratio of projected stellar mass to total mass (f ⋆) and find that the stellar mass fraction for this cluster peaks on the primary BCG. Averaging within a radius of 0.3 Mpc, we obtain a value of < {f}\\star > ={0.012}-0.003+0.004, consistent with other recent results for this ratio in cluster environments, though with a large global error (up to δf ⋆ = 0.005) primarily due to the choice of IMF. We compare values of f ⋆ and measures of star formation efficiency for this cluster to other Hubble Frontier Fields clusters studied in the literature, finding that MACS1149 has a higher stellar mass fraction than these other clusters but a star formation efficiency typical of massive clusters.

Prospects for Determining the Mass Distributions of Galaxy Clusters on Large Scales Using Weak Gravitational Lensing

NASA Astrophysics Data System (ADS)

Fong, M.; Bowyer, R.; Whitehead, A.; Lee, B.; King, L.; Applegate, D.; McCarthy, I.

2018-05-01

For more than two decades, the Navarro, Frenk, and White (NFW) model has stood the test of time; it has been used to describe the distribution of mass in galaxy clusters out to their outskirts. Stacked weak lensing measurements of clusters are now revealing the distribution of mass out to and beyond their virial radii, where the NFW model is no longer applicable. In this study we assess how well the parameterised Diemer & Kravstov (DK) density profile describes the characteristic mass distribution of galaxy clusters extracted from cosmological simulations. This is determined from stacked synthetic lensing measurements of the 50 most massive clusters extracted from the Cosmo-OWLS simulations, using the Dark Matter Only run and also the run that most closely matches observations. The characteristics of the data reflect the Weighing the Giants survey and data from the future Large Synoptic Survey Telescope (LSST). In comparison with the NFW model, the DK model favored by the stacked data, in particular for the future LSST data, where the number density of background galaxies is higher. The DK profile depends on the accretion history of clusters which is specified in the current study. Eventually however subsamples of galaxy clusters with qualities indicative of disparate accretion histories could be studied.

Intra-cluster Globular Clusters in a Simulated Galaxy Cluster

NASA Astrophysics Data System (ADS)

Ramos-Almendares, Felipe; Abadi, Mario; Muriel, Hernán; Coenda, Valeria

2018-01-01

Using a cosmological dark matter simulation of a galaxy-cluster halo, we follow the temporal evolution of its globular cluster population. To mimic the red and blue globular cluster populations, we select at high redshift (z∼ 1) two sets of particles from individual galactic halos constrained by the fact that, at redshift z = 0, they have density profiles similar to observed ones. At redshift z = 0, approximately 60% of our selected globular clusters were removed from their original halos building up the intra-cluster globular cluster population, while the remaining 40% are still gravitationally bound to their original galactic halos. As the blue population is more extended than the red one, the intra-cluster globular cluster population is dominated by blue globular clusters, with a relative fraction that grows from 60% at redshift z = 0 up to 83% for redshift z∼ 2. In agreement with observational results for the Virgo galaxy cluster, the blue intra-cluster globular cluster population is more spatially extended than the red one, pointing to a tidally disrupted origin.

The Charm and Beauty of Strong Interactions

NASA Astrophysics Data System (ADS)

El-Bennich, Bruno

2018-01-01

We briefly review common features and overlapping issues in hadron and flavor physics focussing on continuum QCD approaches to heavy bound states, their mass spectrum and weak decay constants in different strong interaction models.

Population of Nuclei Via 7Li-Induced Binary Reactions

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

Clark, Rodney M.; Phair, Larry W.; Descovich, M.

2005-08-08

The authors have investigated the population of nuclei formed in binary reactions involving {sup 7}Li beams on targets of {sup 160}Gd and {sup 184}W. The {sup 7}Li + {sup 184}W data were taken in the first experiment using the LIBERACE Ge-array in combination with the STARS Si {Delta}E-E telescope system at the 88-Inch Cyclotron of the Lawrence Berkeley National Laboratory. By using the Wilczynski binary transfer model, in combination with a standard evaporation model, they are able to reproduce the experimental results. This is a useful method for predicting the population of neutron-rich heavy nuclei formed in binary reactions involvingmore » beams of weakly bound nuclei formed in binary reactions involving beams of weakly bound nuclei and will be of use in future spectroscopic studies.« less

CO Depletion: A Microscopic Perspective

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

Cazaux, S.; Martín-Doménech, R.; Caro, G. M. Muñoz

In regions where stars form, variations in density and temperature can cause gas to freeze out onto dust grains forming ice mantles, which influences the chemical composition of a cloud. The aim of this paper is to understand in detail the depletion (and desorption) of CO on (from) interstellar dust grains. Experimental simulations were performed under two different (astrophysically relevant) conditions. In parallel, Kinetic Monte Carlo simulations were used to mimic the experimental conditions. In our experiments, CO molecules accrete onto water ice at temperatures below 27 K, with a deposition rate that does not depend on the substrate temperature.more » During the warm-up phase, the desorption processes do exhibit subtle differences, indicating the presence of weakly bound CO molecules, therefore highlighting a low diffusion efficiency. IR measurements following the ice thickness during the TPD confirm that diffusion occurs at temperatures close to the desorption. Applied to astrophysical conditions, in a pre-stellar core, the binding energies of CO molecules, ranging between 300 and 850 K, depend on the conditions at which CO has been deposited. Because of this wide range of binding energies, the depletion of CO as a function of A{sub V} is much less important than initially thought. The weakly bound molecules, easily released into the gas phase through evaporation, change the balance between accretion and desorption, which result in a larger abundance of CO at high extinctions. In addition, weakly bound CO molecules are also more mobile, and this could increase the reactivity within interstellar ices.« less

Formation of novel rare-gas-containing molecules by molecular photodissociation in clusters.

PubMed

Cohen, A; Niv, M Y; Gerber, R B

2001-01-01

Recent work by Räsänen and coworkers showed that photolysis of hydrides in rare-gas matrices results in part in formation of novel, rare-gas-containing molecules. Thus, photolysis of HCl in Xe and of H2O in Xe result respectively in formation of HXeCl and HXeOH in the Xe matrices. Ab initio calculations show that the compounds HRgY so formed are stable in isolation, and that by the strength and nature of the bonding these are molecules, very different from the corresponding weakly bound clusters Rg...HY. This paper presents a study of the formation mechanism of HRgY following the photolysis of HY in clusters Rgn(HY). Calculations are described for HXeCl, as a representative example. Potential energy surfaces that govern the formation of HXeCl in the photolysis of HCl in xenon clusters are obtained, and the dynamics on these surfaces is analyzed, partly with insight from trajectories of molecular dynamics simulations. The potential surfaces are obtained by a new variant of the DIM (diatomics in molecules) and DIIS (diatomics in ionic systems) models. Non-adiabatic couplings are also obtained. The main results are: (1) Properties of HXeCl predicted by the DIM-DIIS model are in reasonable accord with results of ab initio calculations. (2) The potential along the isomerization path HXeCl-->Xe...HCl predicted by DIM is in semiquantitative accord with the ab initio results. (3) Surface-hopping molecular dynamics simulations of the process in clusters, with "on the fly" calculations of the DIM-DIIS potentials and non-adiabatic couplings are computationally feasible. (4) Formation of HXeCl, following photolysis of HCl in Xe54(HCl), requires cage-exit of the H atom as a precondition. The H atom and the Cl can then attack the same Xe atom on opposite sides, leading to charge transfer and production of the ionic HXeCl. (5) Non-adiabatic processes play an important role, both in the reagent configurations, and at the charge-transfer stage. The results open the way to predictions of the formation of new HRgY species.

Stimuli Reduce the Dimensionality of Cortical Activity

PubMed Central

Mazzucato, Luca; Fontanini, Alfredo; La Camera, Giancarlo

2016-01-01

The activity of ensembles of simultaneously recorded neurons can be represented as a set of points in the space of firing rates. Even though the dimension of this space is equal to the ensemble size, neural activity can be effectively localized on smaller subspaces. The dimensionality of the neural space is an important determinant of the computational tasks supported by the neural activity. Here, we investigate the dimensionality of neural ensembles from the sensory cortex of alert rats during periods of ongoing (inter-trial) and stimulus-evoked activity. We find that dimensionality grows linearly with ensemble size, and grows significantly faster during ongoing activity compared to evoked activity. We explain these results using a spiking network model based on a clustered architecture. The model captures the difference in growth rate between ongoing and evoked activity and predicts a characteristic scaling with ensemble size that could be tested in high-density multi-electrode recordings. Moreover, we present a simple theory that predicts the existence of an upper bound on dimensionality. This upper bound is inversely proportional to the amount of pair-wise correlations and, compared to a homogeneous network without clusters, it is larger by a factor equal to the number of clusters. The empirical estimation of such bounds depends on the number and duration of trials and is well predicted by the theory. Together, these results provide a framework to analyze neural dimensionality in alert animals, its behavior under stimulus presentation, and its theoretical dependence on ensemble size, number of clusters, and correlations in spiking network models. PMID:26924968

Stimuli Reduce the Dimensionality of Cortical Activity.

PubMed

Mazzucato, Luca; Fontanini, Alfredo; La Camera, Giancarlo

2016-01-01

The activity of ensembles of simultaneously recorded neurons can be represented as a set of points in the space of firing rates. Even though the dimension of this space is equal to the ensemble size, neural activity can be effectively localized on smaller subspaces. The dimensionality of the neural space is an important determinant of the computational tasks supported by the neural activity. Here, we investigate the dimensionality of neural ensembles from the sensory cortex of alert rats during periods of ongoing (inter-trial) and stimulus-evoked activity. We find that dimensionality grows linearly with ensemble size, and grows significantly faster during ongoing activity compared to evoked activity. We explain these results using a spiking network model based on a clustered architecture. The model captures the difference in growth rate between ongoing and evoked activity and predicts a characteristic scaling with ensemble size that could be tested in high-density multi-electrode recordings. Moreover, we present a simple theory that predicts the existence of an upper bound on dimensionality. This upper bound is inversely proportional to the amount of pair-wise correlations and, compared to a homogeneous network without clusters, it is larger by a factor equal to the number of clusters. The empirical estimation of such bounds depends on the number and duration of trials and is well predicted by the theory. Together, these results provide a framework to analyze neural dimensionality in alert animals, its behavior under stimulus presentation, and its theoretical dependence on ensemble size, number of clusters, and correlations in spiking network models.

Long-distance measurement-device-independent quantum key distribution with coherent-state superpositions.

PubMed

Yin, H-L; Cao, W-F; Fu, Y; Tang, Y-L; Liu, Y; Chen, T-Y; Chen, Z-B

2014-09-15

Measurement-device-independent quantum key distribution (MDI-QKD) with decoy-state method is believed to be securely applied to defeat various hacking attacks in practical quantum key distribution systems. Recently, the coherent-state superpositions (CSS) have emerged as an alternative to single-photon qubits for quantum information processing and metrology. Here, in this Letter, CSS are exploited as the source in MDI-QKD. We present an analytical method that gives two tight formulas to estimate the lower bound of yield and the upper bound of bit error rate. We exploit the standard statistical analysis and Chernoff bound to perform the parameter estimation. Chernoff bound can provide good bounds in the long-distance MDI-QKD. Our results show that with CSS, both the security transmission distance and secure key rate are significantly improved compared with those of the weak coherent states in the finite-data case.

On Dark Peaks and Missing Mass: A Weak-Lensing Mass Reconstruction of the Merging Cluster System A520

NASA Technical Reports Server (NTRS)

Clowe, Douglas; Markevitch, Maxim; Bradac, Marusa; Gonzalez, Anthony H.; Chung, Sun Mi

2012-01-01

Merging clusters of galaxies are unique in their power to directly probe and place limits on the self-interaction cross-section of dark matter. Detailed observations of several merging clusters have shown the intracluster gas to be displaced from the centroids of dark matter and galaxy density by ram pressure, while the latter components are spatially coincident, consistent with collisionless dark matter. This has been used to place upper limits on the dark matter particle self-interaction cross-section of order 1 sq cm/g. The cluster A520 has been seen as a possible exception. We revisit A520 presenting new Hubble Space Telescope Advanced Camera for Surveys mosaic images and a Magellan image set. We perform a detailed weak-lensing analysis and show that the weak-lensing mass measurements and morphologies of the core galaxy-filled structures are mostly in good agreement with previous works. There is, however, one significant difference: We do not detect the previously claimed "dark core" that contains excess mass with no significant galaxy overdensity at the location of the X-ray plasma. This peak has been suggested to be indicative of a large self-interaction cross-section for dark matter (at least approx 5alpha larger than the upper limit of 0.7 sq cm/g determined by observations of the Bullet Cluster). We find no such indication and instead find that the mass distribution of A520, after subtraction of the X-ray plasma mass, is in good agreement with the luminosity distribution of the cluster galaxies.We conclude that A520 shows no evidence to contradict the collisionless dark matter scenario.

Study of clusters and hypernuclei production within PHSD+FRIGA model

NASA Astrophysics Data System (ADS)

Kireyeu, Viktar; Le Fèvre, Arnaud; Bratkovskaya, Elena

2017-03-01

We report on the results on the dynamical modelling of cluster formation with the new combined PHSD+FRIGA model at Nuclotron and NICA energies. The FRIGA clusterization algorithm, which can be applied to the transport models, is based on the simulated annealing technique to obtain the most bound configuration of fragments and nucleons. The PHSD+FRIGA model is able to predict isotope yields as well as hypernucleus production. Based on present predictions of the combined model we study the possibility to detect such clusters and hypernuclei in the BM@N and MPD/NICA detectors.

Upper Bound on Diffusivity

NASA Astrophysics Data System (ADS)

Hartman, Thomas; Hartnoll, Sean A.; Mahajan, Raghu

2017-10-01

The linear growth of operators in local quantum systems leads to an effective light cone even if the system is nonrelativistic. We show that the consistency of diffusive transport with this light cone places an upper bound on the diffusivity: D ≲v2τeq. The operator growth velocity v defines the light cone, and τeq is the local equilibration time scale, beyond which the dynamics of conserved densities is diffusive. We verify that the bound is obeyed in various weakly and strongly interacting theories. In holographic models, this bound establishes a relation between the hydrodynamic and leading nonhydrodynamic quasinormal modes of planar black holes. Our bound relates transport data—including the electrical resistivity and the shear viscosity—to the local equilibration time, even in the absence of a quasiparticle description. In this way, the bound sheds light on the observed T -linear resistivity of many unconventional metals, the shear viscosity of the quark-gluon plasma, and the spin transport of unitary fermions.

The Morphologies and Alignments of Gas, Mass, and the Central Galaxies of CLASH Clusters of Galaxies

NASA Astrophysics Data System (ADS)

Donahue, Megan; Ettori, Stefano; Rasia, Elena; Sayers, Jack; Zitrin, Adi; Meneghetti, Massimo; Voit, G. Mark; Golwala, Sunil; Czakon, Nicole; Yepes, Gustavo; Baldi, Alessandro; Koekemoer, Anton; Postman, Marc

2016-03-01

Morphology is often used to infer the state of relaxation of galaxy clusters. The regularity, symmetry, and degree to which a cluster is centrally concentrated inform quantitative measures of cluster morphology. The Cluster Lensing and Supernova survey with Hubble Space Telescope (CLASH) used weak and strong lensing to measure the distribution of matter within a sample of 25 clusters, 20 of which were deemed to be “relaxed” based on their X-ray morphology and alignment of the X-ray emission with the Brightest Cluster Galaxy. Toward a quantitative characterization of this important sample of clusters, we present uniformly estimated X-ray morphological statistics for all 25 CLASH clusters. We compare X-ray morphologies of CLASH clusters with those identically measured for a large sample of simulated clusters from the MUSIC-2 simulations, selected by mass. We confirm a threshold in X-ray surface brightness concentration of C ≳ 0.4 for cool-core clusters, where C is the ratio of X-ray emission inside 100 h70-1 kpc compared to inside 500 {h}70-1 kpc. We report and compare morphologies of these clusters inferred from Sunyaev-Zeldovich Effect (SZE) maps of the hot gas and in from projected mass maps based on strong and weak lensing. We find a strong agreement in alignments of the orientation of major axes for the lensing, X-ray, and SZE maps of nearly all of the CLASH clusters at radii of 500 kpc (approximately 1/2 R500 for these clusters). We also find a striking alignment of clusters shapes at the 500 kpc scale, as measured with X-ray, SZE, and lensing, with that of the near-infrared stellar light at 10 kpc scales for the 20 “relaxed” clusters. This strong alignment indicates a powerful coupling between the cluster- and galaxy-scale galaxy formation processes.

Weak Convergence of Bounded Influence Regression Estimates with Applications.

DTIC Science & Technology

1980-04-01

for bounded influence regression M-estimates and apply the results to sequential clinical trials , withI special reference to repeated significance...AUTHOR(s) S. CONTRACT O&GRANT NUIMBER(s) ,’ Raymond J. Carrol avv David/uppert v .. AFOSR-80-0 9. PERFORMING ORGANIZATION NAME AND ADDRESS PRO AM I...THIS PAGE (*%ten [)at& Eke 7") 2 1. Introduction. Our primary concern is the comparison of two treatments in a clinical setting, although our results

Midfield wireless powering of subwavelength autonomous devices.

PubMed

Kim, Sanghoek; Ho, John S; Poon, Ada S Y

2013-05-17

We obtain an analytical bound on the efficiency of wireless power transfer to a weakly coupled device. The optimal source is solved for a multilayer geometry in terms of a representation based on the field equivalence principle. The theory reveals that optimal power transfer exploits the properties of the midfield to achieve efficiencies far greater than conventional coil-based designs. As a physical realization of the source, we present a slot array structure whose performance closely approaches the theoretical bound.

Emergence of a confined state in a weakly bent wire

NASA Astrophysics Data System (ADS)

Granot, Er'El

2002-06-01

In this paper we use a simple straightforward technique to investigate the emergence of a bound state in a weakly bent wire. We show that the bend behaves like an infinitely shallow potential well, and in the limit of small bending angle (φ<<1) and low energy the bend can be presented by a simple one-dimensional δ-function potential, V(x)=-(2(cb)φ2)δ(x) where cb≅2.1.

Simplified computer-aided detection scheme of microcalcification clusters in digital breast tomosynthesis images.

PubMed

Ji-Wook Jeong; Seung-Hoon Chae; Eun Young Chae; Hak Hee Kim; Young Wook Choi; Sooyeul Lee

2016-08-01

A computer-aided detection (CADe) algorithm for clustered microcalcifications (MCs) in reconstructed digital breast tomosynthesis (DBT) images is suggested. The MC-like objects were enhanced by a Hessian-based 3D calcification response function, and a signal-to-noise ratio (SNR) enhanced image was also generated to screen the MC clustering seed objects. A connected component segmentation method was used to detect the cluster seed objects, which were considered as potential clustering centers of MCs. Bounding cubes for the accepted clustering seed candidate were generated and the overlapping cubes were combined and examined. After the MC clustering and false-positive (FP) reduction step, the average number of FPs was estimated to be 0.87 per DBT volume with a sensitivity of 90.5%.

XMM-Newton Observations of the Toothbrush and Sausage Clusters

NASA Astrophysics Data System (ADS)

Kara, S.; Mernier, F.; Ezer, C.; Akamatsu, H.; Ercan, E.

2017-10-01

Galaxy clusters are the largest gravitationally-bound objects in the universe. The member galaxies are embedded in a hot X-ray emitting Intra Cluster Medium (ICM) that has been enriched with metals produced by supernovae over the last billion years. Here we report new results from XMM-Newton archival observations of the merging clusters 1RXSJ0603.3+4213 and CIZA J2242.8+5301. These two clusters, also known as the Toothbrush and Sausage clusters, respectively, show a large radio relic associated with a merger shock North of their respective core. We show the distribution of the metal abundances with respect to the merger structures in these two clusters. The results are derived from spatially resolved X-ray spectra from the EPIC instrument on board XMM-Newton.

Mirror energy difference and the structure of loosely bound proton-rich nuclei around A =20

NASA Astrophysics Data System (ADS)

Yuan, Cenxi; Qi, Chong; Xu, Furong; Suzuki, Toshio; Otsuka, Takaharu

2014-04-01

The properties of loosely bound proton-rich nuclei around A =20 are investigated within the framework of the nuclear shell model. In these nuclei, the strength of the effective interactions involving the loosely bound proton s1/2 orbit is significantly reduced in comparison with that of those in their mirror nuclei. We evaluate the reduction of the effective interaction by calculating the monopole-based-universal interaction (VMU) in the Woods-Saxon basis. The shell-model Hamiltonian in the sd shell, such as USD, can thus be modified to reproduce the binding energies and energy levels of the weakly bound proton-rich nuclei around A =20. The effect of the reduction of the effective interaction on the structure and decay properties of these nuclei is also discussed.

Observation of three-photon bound states in a quantum nonlinear medium

NASA Astrophysics Data System (ADS)

Liang, Qi-Yu; Venkatramani, Aditya V.; Cantu, Sergio H.; Nicholson, Travis L.; Gullans, Michael J.; Gorshkov, Alexey V.; Thompson, Jeff D.; Chin, Cheng; Lukin, Mikhail D.; Vuletić, Vladan

2018-02-01

Bound states of massive particles, such as nuclei, atoms, or molecules, constitute the bulk of the visible world around us. By contrast, photons typically only interact weakly. We report the observation of traveling three-photon bound states in a quantum nonlinear medium where the interactions between photons are mediated by atomic Rydberg states. Photon correlation and conditional phase measurements reveal the distinct bunching and phase features associated with three-photon and two-photon bound states. Such photonic trimers and dimers possess shape-preserving wave functions that depend on the constituent photon number. The observed bunching and strongly nonlinear optical phase are described by an effective field theory of Rydberg-induced photon-photon interactions. These observations demonstrate the ability to realize and control strongly interacting quantum many-body states of light.

Testing a generalized cubic Galileon gravity model with the Coma Cluster

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

Terukina, Ayumu; Yamamoto, Kazuhiro; Okabe, Nobuhiro

2015-10-01

We obtain a constraint on the parameters of a generalized cubic Galileon gravity model exhibiting the Vainshtein mechanism by using multi-wavelength observations of the Coma Cluster. The generalized cubic Galileon model is characterized by three parameters of the turning scale associated with the Vainshtein mechanism, and the amplitude of modifying a gravitational potential and a lensing potential. X-ray and Sunyaev-Zel'dovich (SZ) observations of the intra-cluster medium are sensitive to the gravitational potential, while the weak-lensing (WL) measurement is specified by the lensing potential. A joint fit of a complementary multi-wavelength dataset of X-ray, SZ and WL measurements enables us tomore » simultaneously constrain these three parameters of the generalized cubic Galileon model for the first time. We also find a degeneracy between the cluster mass parameters and the gravitational modification parameters, which is influential in the limit of the weak screening of the fifth force.« less

A redshift survey of the strong-lensing cluster ABELL 383

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

Geller, Margaret J.; Hwang, Ho Seong; Kurtz, Michael J.

2014-03-01

Abell 383 is a famous rich cluster (z = 0.1887) imaged extensively as a basis for intensive strong- and weak-lensing studies. Nonetheless, there are few spectroscopic observations. We enable dynamical analyses by measuring 2360 new redshifts for galaxies with r {sub Petro} ≤ 20.5 and within 50' of the Brightest Cluster Galaxy (BCG; R.A.{sub 2000} = 42.°014125, decl.{sub 2000} = –03.°529228). We apply the caustic technique to identify 275 cluster members within 7 h {sup –1} Mpc of the hierarchical cluster center. The BCG lies within –11 ± 110 km s{sup –1} and 21 ± 56 h {sup –1} kpcmore » of the hierarchical cluster center; the velocity dispersion profile of the BCG appears to be an extension of the velocity dispersion profile based on cluster members. The distribution of cluster members on the sky corresponds impressively with the weak-lensing contours of Okabe et al. especially when the impact of foreground and background structure is included. The values of R {sub 200} = 1.22 ± 0.01 h {sup –1} Mpc and M {sub 200} = (5.07 ± 0.09) × 10{sup 14} h {sup –1} M {sub ☉} obtained by application of the caustic technique agree well with recent completely independent lensing measures. The caustic estimate extends direct measurement of the cluster mass profile to a radius of ∼5 h {sup –1} Mpc.« less

Spatio-Temporal Regression Based Clustering of Precipitation Extremes in a Presence of Systematically Missing Covariates

NASA Astrophysics Data System (ADS)

Kaiser, Olga; Martius, Olivia; Horenko, Illia

2017-04-01

Regression based Generalized Pareto Distribution (GPD) models are often used to describe the dynamics of hydrological threshold excesses relying on the explicit availability of all of the relevant covariates. But, in real application the complete set of relevant covariates might be not available. In this context, it was shown that under weak assumptions the influence coming from systematically missing covariates can be reflected by a nonstationary and nonhomogenous dynamics. We present a data-driven, semiparametric and an adaptive approach for spatio-temporal regression based clustering of threshold excesses in a presence of systematically missing covariates. The nonstationary and nonhomogenous behavior of threshold excesses is describes by a set of local stationary GPD models, where the parameters are expressed as regression models, and a non-parametric spatio-temporal hidden switching process. Exploiting nonparametric Finite Element time-series analysis Methodology (FEM) with Bounded Variation of the model parameters (BV) for resolving the spatio-temporal switching process, the approach goes beyond strong a priori assumptions made is standard latent class models like Mixture Models and Hidden Markov Models. Additionally, the presented FEM-BV-GPD provides a pragmatic description of the corresponding spatial dependence structure by grouping together all locations that exhibit similar behavior of the switching process. The performance of the framework is demonstrated on daily accumulated precipitation series over 17 different locations in Switzerland from 1981 till 2013 - showing that the introduced approach allows for a better description of the historical data.

Are Large Core Radius Clusters Merging Systems?

NASA Technical Reports Server (NTRS)

Forman, William R.

1997-01-01

We have analyzed observations for two lensing clusters of galaxies, A1689 and A2218. Our investigations have explored the implications of their X-ray properties for mass determinations both in X-rays and through both weak and strong gravitational lensing. The work on these two clusters is summarized below and copies of the two papers submitted to the Astrophysical Journal and accepted for publication are attached.

Weakly damped modes in star clusters and galaxies

NASA Technical Reports Server (NTRS)

Weinberg, Martin D.

1994-01-01

A perturber may excite a coherent mode in a star cluster or galaxy. If the stellar system is stable, it is commonly assumed that such a mode will be strongly damped and therefore of little practical consequence other than redistributing momentum and energy deposited by the perturber. This paper demonstrates that this assumption is false; weakly damped modes exist and may persist long enough to have observable consequences. To do this, a method for investigating the dispersion relation for spherical stellar systems and for locating weakly damped modes in particular is developed and applied to King models of varying concentration. This leads to a following remarkable result: King models exhibit very weakly damped m = 1 modes over a wide range of concentration (0.67 less than or equal to c less than or equal to 1.5 have been examined). The predicted damping time is tens of hundreds of crossing times. This mode causes the peak density to shift from and slowly revolve about the initial center. The existence of the mode is supported by n-body simulation. Higher order modes and possible astronomical consequences are discussed. Weakly damped modes, for example, may provide a neutral explanation for observed discrepancies between density and kinematic centers in galaxies, off-center nuclei, the location of velocity cusps due to massive black holes, and both m = 1 and barlike disturbances of disks enbedded in massive halos or spheroids. Gravitational shocking may excite the m = 1 mode in globular clusters, which could modify their subsequent evolution and displace the positions of exotic remnants.

Entropic bounds on currents in Langevin systems

NASA Astrophysics Data System (ADS)

Dechant, Andreas; Sasa, Shin-ichi

2018-06-01

We derive a bound on generalized currents for Langevin systems in terms of the total entropy production in the system and its environment. For overdamped dynamics, any generalized current is bounded by the total rate of entropy production. We show that this entropic bound on the magnitude of generalized currents imposes power-efficiency tradeoff relations for ratchets in contact with a heat bath: Maximum efficiency—Carnot efficiency for a Smoluchowski-Feynman ratchet and unity for a flashing or rocking ratchet—can only be reached at vanishing power output. For underdamped dynamics, while there may be reversible currents that are not bounded by the entropy production rate, we show that the output power and heat absorption rate are irreversible currents and thus obey the same bound. As a consequence, a power-efficiency tradeoff relation holds not only for underdamped ratchets but also for periodically driven heat engines. For weak driving, the bound results in additional constraints on the Onsager matrix beyond those imposed by the second law. Finally, we discuss the connection between heat and entropy in a nonthermal situation where the friction and noise intensity are state dependent.

Probing gravitational parity violation with gravitational waves from stellar-mass black hole binaries

NASA Astrophysics Data System (ADS)

Yagi, Kent; Yang, Huan

2018-05-01

The recent discovery of gravitational-wave events has offered us unique test beds of gravity in the strong and dynamical field regime. One possible modification to General Relativity is the gravitational parity violation that arises naturally from quantum gravity. Such parity violation gives rise to the so-called amplitude birefringence in gravitational waves, in which one of the circularly polarized modes is amplified while the other one is suppressed during their propagation. In this paper, we study how well one can measure gravitational parity violation via the amplitude birefringence effect of gravitational waves sourced by stellar-mass black hole binaries. We choose Chern-Simons gravity as an example and work within an effective field theory formalism to ensure that the approximate theory is well posed. We consider gravitational waves from both individual sources and stochastic gravitational-wave backgrounds. Regarding bounds from individual sources, we estimate such bounds using a Fisher analysis and carry out Monte Carlo simulations by randomly distributing sources over their sky location and binary orientation. We find that the bounds on the scalar field evolution in Chern-Simons gravity from the recently discovered gravitational-wave events are too weak to satisfy the weak Chern-Simons approximation, while aLIGO with its design sensitivity can place meaningful bounds. Regarding bounds from stochastic gravitational-wave backgrounds, we set the threshold signal-to-noise ratio for detection of the parity-violation mode as 5 and estimate projected bounds with future detectors assuming that signals are consistent with no parity violation. In an ideal situation in which all the source parameters and binary black hole merger-rate history are known a priori, we find that a network of two third-generation detectors is able to place bounds that are comparable to or slightly stronger than binary pulsar bounds. In a more realistic situation in which one does not have such information beforehand, approximate bounds can be derived if the regular parity-insensitive mode is detected and the peak redshift of the merger-rate history is known theoretically. Since gravitational-wave observations probe either the difference in parity violation between the source and the detector (with individual sources) or the line-of-sight cosmological integration of the scalar field (with gravitational-wave backgrounds), such bounds are complementary to local measurements from solar system experiments and binary pulsar observations.

Two- and three-cluster decays of light nuclei within a hyperspherical harmonics approach

NASA Astrophysics Data System (ADS)

Vasilevsky, V. S.; Lashko, Yu. A.; Filippov, G. F.

2018-06-01

We consider a set of three-cluster systems (4He, 7Li, 7Be, 8Be, 10Be) within a microscopic model which involves hyperspherical harmonics to represent intercluster motion. We selected three-cluster systems which have at least one binary channel. Our aim is to study whether hyperspherical harmonics are able, and under what conditions, to describe two-body channel(s) (nondemocratic motion) or if they are suitable for describing the three-cluster continuum only (democratic motion). It is demonstrated that a rather restricted number of hyperspherical harmonics allows us to describe bound states and scattering states in the two-body continuum for a three-cluster system.

The Hyades cluster-supercluster connection - Evidence for a local concentration of dark matter

NASA Technical Reports Server (NTRS)

Casertano, Stefano; Iben, Icko, Jr.; Shiels, Aaron

1993-01-01

Stars that evaporate from the Hyades cluster will remain within a few hundred parsecs of the cluster only if they are dynamically bound to a much more massive entity containing the cluster. A local mass enhancement of at least (5-10) x 10 exp 5 solar masses, with a radius of about 100 pc, can trap stars with an origin related to that of the Hyades cluster and explains the excess of stars with velocities near the Hyades velocity that constitutes the Hyades supercluster. Part of this mass enhancement can be in visible stars, but a substantial fraction is likely to be in the form of dark matter.

Structural analysis of the PSD-95 cluster by electron tomography and CEMOVIS: a proposal for the application of the genetically encoded metallothionein tag.

PubMed

Hirabayashi, Ai; Fukunaga, Yuko; Miyazawa, Atsuo

2014-06-01

Postsynaptic density-95 (PSD-95) accumulates at excitatory postsynapses and plays important roles in the clustering and anchoring of numerous proteins at the PSD. However, a detailed ultrastructural analysis of clusters exclusively consisting of PSD-95 has never been performed. Here, we employed a genetically encoded tag, three tandem repeats of metallothionein (3MT), to study the structure of PSD-95 clusters in cells by electron tomography and cryo-electron microscopy of vitreous sections. We also performed conventional transmission electron microscopy (TEM). Cultured hippocampal neurons expressing a fusion protein of PSD-95 coupled to 3MT (PDS-95-3MT) were incubated with CdCl2 to result in the formation of Cd-bound PSD-95-3MT. Two types of electron-dense deposits composed of Cd-bound PSD-95-3MT were observed in these cells by TEM, as reported previously. Electron tomography revealed the presence of membrane-shaped structures representing PSD-95 clusters at the PSD and an ellipsoidal structure located in the non-synaptic cytoplasm. By TEM, the PSD-95 clusters appeared to be composed of a number of dense cores. In frozen hydrated sections, these dense cores were also found beneath the postsynaptic membrane. Taken together, our findings suggest that dense cores of PSD-95 aggregate to form the larger clusters present in the PSD and the non-synaptic cytoplasm. © The Author 2014. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Weakly supervised image semantic segmentation based on clustering superpixels

NASA Astrophysics Data System (ADS)

Yan, Xiong; Liu, Xiaohua

2018-04-01

In this paper, we propose an image semantic segmentation model which is trained from image-level labeled images. The proposed model starts with superpixel segmenting, and features of the superpixels are extracted by trained CNN. We introduce a superpixel-based graph followed by applying the graph partition method to group correlated superpixels into clusters. For the acquisition of inter-label correlations between the image-level labels in dataset, we not only utilize label co-occurrence statistics but also exploit visual contextual cues simultaneously. At last, we formulate the task of mapping appropriate image-level labels to the detected clusters as a problem of convex minimization. Experimental results on MSRC-21 dataset and LableMe dataset show that the proposed method has a better performance than most of the weakly supervised methods and is even comparable to fully supervised methods.

Dark energy domination in the Virgocentric flow

NASA Astrophysics Data System (ADS)

Chernin, A. D.; Karachentsev, I. D.; Nasonova, O. G.; Teerikorpi, P.; Valtonen, M. J.; Dolgachev, V. P.; Domozhilova, L. M.; Byrd, G. G.

2010-09-01

Context. The standard ΛCDM cosmological model implies that all celestial bodies are embedded in a perfectly uniform dark energy background, represented by Einstein's cosmological constant, and experience its repulsive antigravity action. Aims: Can dark energy have strong dynamical effects on small cosmic scales as well as globally? Continuing our efforts to clarify this question, we now focus on the Virgo Cluster and the flow of expansion around it. Methods: We interpret the Hubble diagram from a new database of velocities and distances of galaxies in the cluster and its environment, using a nonlinear analytical model, which incorporates the antigravity force in terms of Newtonian mechanics. The key parameter is the zero-gravity radius, the distance at which gravity and antigravity are in balance. Results: 1. The interplay between the gravity of the cluster and the antigravity of the dark energy background determines the kinematical structure of the system and controls its evolution. 2. The gravity dominates the quasi-stationary bound cluster, while the antigravity controls the Virgocentric flow, bringing order and regularity to the flow, which reaches linearity and the global Hubble rate at distances ⪆15 Mpc. 3. The cluster and the flow form a system similar to the Local Group and its outflow. In the velocity-distance diagram, the cluster-flow structure reproduces the group-flow structure with a scaling factor of about 10; the zero-gravity radius for the cluster system is also 10 times larger. Conclusions: The phase and dynamical similarity of the systems on the scales of 1-30 Mpc suggests that a two-component pattern may be universal for groups and clusters: a quasi-stationary bound central component and an expanding outflow around it, caused by the nonlinear gravity-antigravity interplay with the dark energy dominating in the flow component.

Structural basis for a [4Fe-3S] cluster in the oxygen-tolerant membrane-bound [NiFe]-hydrogenase.

PubMed

Shomura, Yasuhito; Yoon, Ki-Seok; Nishihara, Hirofumi; Higuchi, Yoshiki

2011-10-16

Membrane-bound respiratory [NiFe]-hydrogenase (MBH), a H(2)-uptake enzyme found in the periplasmic space of bacteria, catalyses the oxidation of dihydrogen: H(2) → 2H(+) + 2e(-) (ref. 1). In contrast to the well-studied O(2)-sensitive [NiFe]-hydrogenases (referred to as the standard enzymes), MBH has an O(2)-tolerant H(2) oxidation activity; however, the mechanism of O(2) tolerance is unclear. Here we report the crystal structures of Hydrogenovibrio marinus MBH in three different redox conditions at resolutions between 1.18 and 1.32 Å. We find that the proximal iron-sulphur (Fe-S) cluster of MBH has a [4Fe-3S] structure coordinated by six cysteine residues--in contrast to the [4Fe-4S] cubane structure coordinated by four cysteine residues found in the proximal Fe-S cluster of the standard enzymes--and that an amide nitrogen of the polypeptide backbone is deprotonated and additionally coordinates the cluster when chemically oxidized, thus stabilizing the superoxidized state of the cluster. The structure of MBH is very similar to that of the O(2)-sensitive standard enzymes except for the proximal Fe-S cluster. Our results give a reasonable explanation why the O(2) tolerance of MBH is attributable to the unique proximal Fe-S cluster; we propose that the cluster is not only a component of the electron transfer for the catalytic cycle, but that it also donates two electrons and one proton crucial for the appropriate reduction of O(2) in preventing the formation of an unready, inactive state of the enzyme.

Mass Mapping Abell 2261 with Kinematic Weak Lensing: A Pilot Study for NASAs WFIRST mission

NASA Astrophysics Data System (ADS)

Eifler, Tim

2015-02-01

We propose to investigate a new method to extract cosmological information from weak gravitational lensing in the context of the mission design and requirements of NASAs Wide-Field Infrared Survey Telescope (WFIRST). In a recent paper (Huff, Krause, Eifler, George, Schlegel 2013) we describe a new method for reducing the shape noise in weak lensing measurements by an order of magnitude. Our method relies on spectroscopic measurements of disk galaxy rotation and makes use of the well-established Tully-Fisher (TF) relation in order to control for the intrinsic orientations of galaxy disks. Whereas shape noise is one of the major limitations for current weak lensing experiments it ceases to be an important source of statistical error in our new proposed technique. Specifically, we propose a pilot study that maps the projected mass distribution in the massive cluster Abell 2261 (z=0.225) to infer whether this promising technique faces systematics that prohibit its application to WFIRST. In addition to the cosmological weak lensing prospects, these measurements will also allow us to test kinematic lensing in the context of cluster mass reconstruction with a drastically improved signal-to-noise (S/N) per galaxy.

Cluster Dynamical Mass from Magellan Multi-Object Spectroscopy for SGAS Clusters

NASA Astrophysics Data System (ADS)

Murray, Katherine; Sharon, Keren; Johnson, Traci; Gifford, Daniel; Gladders, Michael; Bayliss, Matthew; Florian, Michael; Rigby, Jane R.; Miller, Christopher J.

2016-01-01

Galaxy clusters are giant structures in space consisting of hundreds or thousands of galaxies, interstellar matter, and dark matter, all bound together by gravity. We analyze the spectra of the cluster members of several strong lensing clusters from a large program, the Sloan Giant Arcs Survey, to determine the total mass of the lensing clusters. From spectra obtained with the LDSS3 and IMACS cameras on the Magellan 6.5m telescopes, we measure the spectroscopic redshifts of about 50 galaxies in each cluster, and calculate the velocity distributions within the galaxy clusters, as well as their projected cluster-centric radii. From these two pieces of information, we measure the size and total dynamical mass of each cluster. We can combine this calculation with other measurements of mass of the same galaxy clusters (like measurements from strong lensing or X-ray) to determine the spatial distribution of luminous and dark matter out to the virial radius of the cluster.

Structural evolution of the [(CO2)n(H2O)]- cluster anions: quantifying the effect of hydration on the excess charge accommodation motif.

PubMed

Muraoka, Azusa; Inokuchi, Yoshiya; Hammer, Nathan I; Shin, Joong-Won; Johnson, Mark A; Nagata, Takashi

2009-08-06

The [(CO2)n(H2O)]- cluster anions are studied using infrared photodissociation (IPD) spectroscopy in the 2800-3800 cm(-1) range. The observed IPD spectra display a drastic change in the vibrational band features at n = 4, indicating a sharp discontinuity in the structural evolution of the monohydrated cluster anions. The n = 2 and 3 spectra are composed of a series of sharp bands around 3600 cm(-1), which are assignable to the stretching vibrations of H2O bound to C2O4- in a double ionic hydrogen-bonding (DIHB) configuration, as was previously discussed (J. Chem. Phys. 2005, 122, 094303). In the n > or = 4 spectrum, a pair of intense bands additionally appears at approximately 3300 cm(-1). With the aid of ab initio calculations at the MP2/6-31+G* level, the 3300 cm(-1) bands are assigned to the bending overtone and the hydrogen-bonded OH vibration of H2O bound to CO2- via a single O-H...O linkage. Thus, the structures of [(CO2)n(H2O)]- evolve with cluster size such that DIHB to C2O4- is favored in the smaller clusters with n = 2 and 3 whereas CO2- is preferentially stabilized via the formation of a single ionic hydrogen-bonding (SIHB) configuration in the larger clusters with n > or = 4.

Effects of Alfvénic Drift on Diffusive Shock Acceleration at Weak Cluster Shocks

NASA Astrophysics Data System (ADS)

Kang, Hyesung; Ryu, Dongsu

2018-03-01

Non-detection of γ-ray emission from galaxy clusters has challenged diffusive shock acceleration (DSA) of cosmic-ray (CR) protons at weak collisionless shocks that are expected to form in the intracluster medium. As an effort to address this problem, we here explore possible roles of Alfvén waves self-excited via resonant streaming instability during the CR acceleration at parallel shocks. The mean drift of Alfvén waves may either increase or decrease the scattering center compression ratio, depending on the postshock cross-helicity, leading to either flatter or steeper CR spectra. We first examine such effects at planar shocks, based on the transport of Alfvén waves in the small amplitude limit. For the shock parameters relevant to cluster shocks, Alfvénic drift flattens the CR spectrum slightly, resulting in a small increase of the CR acceleration efficiency, η. We then consider two additional, physically motivated cases: (1) postshock waves are isotropized via MHD and plasma processes across the shock transition, and (2) postshock waves contain only forward waves propagating along with the flow due to a possible gradient of CR pressure behind the shock. In these cases, Alfvénic drift could reduce η by as much as a factor of five for weak cluster shocks. For the canonical parameters adopted here, we suggest η ∼ 10‑4–10‑2 for shocks with sonic Mach number M s ≈ 2–3. The possible reduction of η may help ease the tension between non-detection of γ-rays from galaxy clusters and DSA predictions.

Millimeter Wave Spectrum of the Weakly Bound Complex CH2═CHCN·H2O: Structure, Dynamics, and Implications for Astronomical Search.

PubMed

Calabrese, Camilla; Vigorito, Annalisa; Maris, Assimo; Mariotti, Sergio; Fathi, Pantea; Geppert, Wolf D; Melandri, Sonia

2015-12-03

The weakly bound 1:1 complex between acrylonitrile (CH2═CHCN) and water has been characterized spectroscopically in the millimeter wave range (59.6-74.4 GHz) using a Free Jet Absorption Millimeter Wave spectrometer. Precise values of the rotational and quartic centrifugal distortion constants have been obtained from the measured frequencies of the normal and isotopically substituted water moiety (DOH, DOD, H(18)OH). Structural parameters have been estimated from the rotational constants and their differences among isotopologues: the complex has a planar structure with the two subunits held together by a O-H···N (2.331(3) Å) and a C-H···O (2.508(4) Å) interaction. The ab initio intermolecular binding energy, obtained at the counterpoise corrected MP2/aug-cc-pVTZ level of calculation, is De = 24.4 kJ mol(-1).

Hyperquarks and bosonic preon bound states

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

Schmid, Michael L.; Buchmann, Alfons J.

2009-11-01

In a model in which leptons, quarks, and the recently introduced hyperquarks are built up from two fundamental spin-(1/2) preons, the standard model weak gauge bosons emerge as preon bound states. In addition, the model predicts a host of new composite gauge bosons, in particular, those responsible for hyperquark and proton decay. Their presence entails a left-right symmetric extension of the standard model weak interactions and a scheme for a partial and grand unification of nongravitational interactions based on, respectively, the effective gauge groups SU(6){sub P} and SU(9){sub G}. This leads to a prediction of the Weinberg angle at lowmore » energies in good agreement with experiment. Furthermore, using evolution equations for the effective coupling strengths, we calculate the partial and grand unification scales, the hyperquark mass scale, as well as the mass and decay rate of the lightest hyperhadron.« less

An Onsager Singularity Theorem for Turbulent Solutions of Compressible Euler Equations

NASA Astrophysics Data System (ADS)

Drivas, Theodore D.; Eyink, Gregory L.

2017-12-01

We prove that bounded weak solutions of the compressible Euler equations will conserve thermodynamic entropy unless the solution fields have sufficiently low space-time Besov regularity. A quantity measuring kinetic energy cascade will also vanish for such Euler solutions, unless the same singularity conditions are satisfied. It is shown furthermore that strong limits of solutions of compressible Navier-Stokes equations that are bounded and exhibit anomalous dissipation are weak Euler solutions. These inviscid limit solutions have non-negative anomalous entropy production and kinetic energy dissipation, with both vanishing when solutions are above the critical degree of Besov regularity. Stationary, planar shocks in Euclidean space with an ideal-gas equation of state provide simple examples that satisfy the conditions of our theorems and which demonstrate sharpness of our L 3-based conditions. These conditions involve space-time Besov regularity, but we show that they are satisfied by Euler solutions that possess similar space regularity uniformly in time.

Electron-Transfer Kinetics of Redox Centers Anchored to Metal Surfaces: Weak- versus Strong-Overlap Reaction Pathways.

DTIC Science & Technology

1983-11-01

constants ket are presented for the one-electron electroreduction of various Co1]:I(NH3)5X complexes bound to mercury, platinum, and gold surfaces...electroreduction of various Co^^(NH𔃽)𔃿X complexes bound to mercury, platinum, and gold surfaces via either small inorganic or extended organic ligands X. t...platinum, gold , and copper, to enable values of ke* to be obtained for the one-electron reduction of the surface-Douna_redox center.2.3 These

On the Singular Incompressible Limit of Inviscid Compressible Fluids

NASA Astrophysics Data System (ADS)

Secchi, P.

We consider the Euler equations of barotropic inviscid compressible fluids in a bounded domain. It is well known that, as the Mach number goes to zero, the compressible flows approximate the solution of the equations of motion of inviscid, incompressible fluids. In this paper we discuss, for the boundary case, the different kinds of convergence under various assumptions on the data, in particular the weak convergence in the case of uniformly bounded initial data and the strong convergence in the norm of the data space.

Interface with weakly singular points always scatter

NASA Astrophysics Data System (ADS)

Li, Long; Hu, Guanghui; Yang, Jiansheng

2018-07-01

Assume that a bounded scatterer is embedded into an infinite homogeneous isotropic background medium in two dimensions. The refractive index function is supposed to be piecewise constant. If the scattering interface contains a weakly singular point, we prove that the scattered field cannot vanish identically. This implies the absence of non-scattering energies for piecewise analytic interfaces with one singular point. Local uniqueness is obtained for shape identification problems in inverse medium scattering with a single far-field pattern.

Source selection for cluster weak lensing measurements in the Hyper Suprime-Cam survey

NASA Astrophysics Data System (ADS)

Medezinski, Elinor; Oguri, Masamune; Nishizawa, Atsushi J.; Speagle, Joshua S.; Miyatake, Hironao; Umetsu, Keiichi; Leauthaud, Alexie; Murata, Ryoma; Mandelbaum, Rachel; Sifón, Cristóbal; Strauss, Michael A.; Huang, Song; Simet, Melanie; Okabe, Nobuhiro; Tanaka, Masayuki; Komiyama, Yutaka

2018-03-01

We present optimized source galaxy selection schemes for measuring cluster weak lensing (WL) mass profiles unaffected by cluster member dilution from the Subaru Hyper Suprime-Cam Strategic Survey Program (HSC-SSP). The ongoing HSC-SSP survey will uncover thousands of galaxy clusters to z ≲ 1.5. In deriving cluster masses via WL, a critical source of systematics is contamination and dilution of the lensing signal by cluster members, and by foreground galaxies whose photometric redshifts are biased. Using the first-year CAMIRA catalog of ˜900 clusters with richness larger than 20 found in ˜140 deg2 of HSC-SSP data, we devise and compare several source selection methods, including selection in color-color space (CC-cut), and selection of robust photometric redshifts by applying constraints on their cumulative probability distribution function (P-cut). We examine the dependence of the contamination on the chosen limits adopted for each method. Using the proper limits, these methods give mass profiles with minimal dilution in agreement with one another. We find that not adopting either the CC-cut or P-cut methods results in an underestimation of the total cluster mass (13% ± 4%) and the concentration of the profile (24% ± 11%). The level of cluster contamination can reach as high as ˜10% at R ≈ 0.24 Mpc/h for low-z clusters without cuts, while employing either the P-cut or CC-cut results in cluster contamination consistent with zero to within the 0.5% uncertainties. Our robust methods yield a ˜60 σ detection of the stacked CAMIRA surface mass density profile, with a mean mass of M200c = [1.67 ± 0.05(stat)] × 1014 M⊙/h.

An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings

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

Pavanello, Michele; Van Voorhis, Troy; Visscher, Lucas

2013-02-07

Quantum-mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those charge transfer excitations that take place between non-covalently bound molecules. In particular, we present a method that scales linearly with the number of non-covalently bound molecules in the system and is based on a two-pronged approach: The molecular electronic structure of broken-symmetry charge-localized states is obtained with the frozen density embedding formulation of subsystem density-functional theory; subsequently, in a post-SCF calculation, the full-electron Hamiltonian and overlapmore » matrix elements among the charge-localized states are evaluated with an algorithm which takes full advantage of the subsystem DFT density partitioning technique. The method is benchmarked against coupled-cluster calculations and achieves chemical accuracy for the systems considered for intermolecular separations ranging from hydrogen-bond distances to tens of Angstroms. Numerical examples are provided for molecular clusters comprised of up to 56 non-covalently bound molecules.« less

An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings.

PubMed

Pavanello, Michele; Van Voorhis, Troy; Visscher, Lucas; Neugebauer, Johannes

2013-02-07

Quantum-mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those charge transfer excitations that take place between non-covalently bound molecules. In particular, we present a method that scales linearly with the number of non-covalently bound molecules in the system and is based on a two-pronged approach: The molecular electronic structure of broken-symmetry charge-localized states is obtained with the frozen density embedding formulation of subsystem density-functional theory; subsequently, in a post-SCF calculation, the full-electron Hamiltonian and overlap matrix elements among the charge-localized states are evaluated with an algorithm which takes full advantage of the subsystem DFT density partitioning technique. The method is benchmarked against coupled-cluster calculations and achieves chemical accuracy for the systems considered for intermolecular separations ranging from hydrogen-bond distances to tens of Ångstroms. Numerical examples are provided for molecular clusters comprised of up to 56 non-covalently bound molecules.

A generalized Uhlenbeck and Beth formula for the third cluster coefficient

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

Larsen, Sigurd Yves; Lassaut, Monique; Amaya-Tapia, Alejandro, E-mail: jano@icf.unam.mx

2016-11-15

Relatively recently (Amaya-Tapia et al., 2011), we presented a formula for the evaluation of the third Bose fugacity coefficient–leading to the third virial coefficient–in terms of three-body eigenphase shifts, for particles subject to repulsive forces. An analytical calculation for a 1-dim. model, for which the result is known, confirmed the validity of this approach. We now extend the formalism to particles with attractive forces, and therefore must allow for the possibility that the particles have bound states. We thus obtain a true generalization of the famous formula of Uhlenbeck and Beth (Uhlenbeck and Beth, 1936; Beth and Uhlenbeck, 1937) and ofmore » Gropper (Gropper, 1936, 1937) for the second virial. We illustrate our formalism by a calculation, in an adiabatic approximation, of the third cluster in one dimension, using McGuire’s model as in our previous paper, but with attractive forces. The inclusion of three-body bound states is trivial; taking into account states having asymptotically two particles bound, and one free, is not.« less

A self-contamination model for the formation of globular star clusters

NASA Astrophysics Data System (ADS)

Brown, James Howard

Described here is a model of globular cluster formation which allows the self contamination of the cluster by an earlier generation of massive stars. It is first shown that such self-contamination naturally produces an Fe/H in the range from -2.5 to -1.0, precisely the same range observed in the metal poor (halo) globular clusters; this also seems to require that the disk clusters started with a substantial initial metallicity. To minimize the problem of creating homogeneous globular clusters, the second (currently observed) generation of stars is assumed to form in the expanding supershell around the first generation stars. Both numerical and analytic models are used to address this problem. The most important result of this investigation was that the late evolution of the supershell is the most important, and that this phase of the evolution is dominated by the external medium in which the cloud is embedded. This result and the requirement that only the most tightly bound systems may become globular clusters lead to the conclusion that a globular cluster with the mass and binding energy typically observed can be formed at star formation efficiences as low as 10-20 percent. Furthermore, self contamination requires that the typical Fe/H of a bound system be about -1.6, independent of the free parameters of the model, allowing the clusters and field stars to form with different metallicity distributions in spite of their forming at the same time. Since the formation of globular clusters in this model is tied to the external pressure, the halo globular cluster masses and distribution can be used as probes of the early galactic structure. In particular, this model requires an increase in the typical globular cluster mass as one moves out from the galactic center; the masses of the halo clusters are examined, and they show considerable evidence for such a gradient. Based on a pressure distribution derived from this data, the effect of the galactic tidal field on the model is also investigated using an N-body simulation.

Deducing the Milky Way's Massive Cluster Population

NASA Astrophysics Data System (ADS)

Hanson, M. M.; Popescu, B.; Larsen, S. S.; Ivanov, V. D.

2010-11-01

Recent near-infrared surveys of the galactic plane have been used to identify new massive cluster candidates. Follow up study indicates about half are not true, gravitationally-bound clusters. These false positives are created by high density fields of unassociated stars, often due to a sight-line of reduced extinction. What is not so easy to estimate is the number of false negatives, clusters which exist but are not currently being detected by our surveys. In order to derive critical characteristics of the Milky Way's massive cluster population, such as cluster mass function and cluster lifetimes, one must be able to estimate the characteristics of these false negatives. Our group has taken on the daunting task of attempting such an estimate by first creating the stellar cluster imaging simulation program, MASSCLEAN. I will present our preliminary models and methods for deriving the biases of current searches.

Observation of novel photochemistry in the multiphoton ionization of Mo(CO) sub 6 van der Waals clusters

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

Peifer, W.R.; Garvey, J.F.

1989-07-27

van der Waals clusters of Mo(CO){sub 6} generated in the free-jet expansion of a pulsed beam of seeded helium are subjected to multiphoton ionization and the product ions analyzed by quadrupole mass spectrometry. Oxomolybdenum and dioxomolybdenum ions are observed to be produced with high efficiency. This behavior is in striking contrast to that of metal carbonyl monomers and covalently bound cluster carbonyls, which under complete ligand loss prior to ionization. The observed photochemistry is ascribed to reactions between a photoproduced molybdenum atom and the ligands of neighboring Mo(CO){sub 6} solvent molecules within the van der Waals cluster.

Probes for dark matter physics

NASA Astrophysics Data System (ADS)

Khlopov, Maxim Yu.

The existence of cosmological dark matter is in the bedrock of the modern cosmology. The dark matter is assumed to be nonbaryonic and consists of new stable particles. Weakly Interacting Massive Particle (WIMP) miracle appeals to search for neutral stable weakly interacting particles in underground experiments by their nuclear recoil and at colliders by missing energy and momentum, which they carry out. However, the lack of WIMP effects in their direct underground searches and at colliders can appeal to other forms of dark matter candidates. These candidates may be weakly interacting slim particles, superweakly interacting particles, or composite dark matter, in which new particles are bound. Their existence should lead to cosmological effects that can find probes in the astrophysical data. However, if composite dark matter contains stable electrically charged leptons and quarks bound by ordinary Coulomb interaction in elusive dark atoms, these charged constituents of dark atoms can be the subject of direct experimental test at the colliders. The models, predicting stable particles with charge ‑ 2 without stable particles with charges + 1 and ‑ 1 can avoid severe constraints on anomalous isotopes of light elements and provide solution for the puzzles of dark matter searches. In such models, the excessive ‑ 2 charged particles are bound with primordial helium in O-helium atoms, maintaining specific nuclear-interacting form of the dark matter. The successful development of composite dark matter scenarios appeals for experimental search for doubly charged constituents of dark atoms, making experimental search for exotic stable double charged particles experimentum crucis for dark atoms of composite dark matter.

The generalized truncated exponential distribution as a model for earthquake magnitudes

NASA Astrophysics Data System (ADS)

Raschke, Mathias

2015-04-01

The random distribution of small, medium and large earthquake magnitudes follows an exponential distribution (ED) according to the Gutenberg-Richter relation. But a magnitude distribution is truncated in the range of very large magnitudes because the earthquake energy is finite and the upper tail of the exponential distribution does not fit well observations. Hence the truncated exponential distribution (TED) is frequently applied for the modelling of the magnitude distributions in the seismic hazard and risk analysis. The TED has a weak point: when two TEDs with equal parameters, except the upper bound magnitude, are mixed, then the resulting distribution is not a TED. Inversely, it is also not possible to split a TED of a seismic region into TEDs of subregions with equal parameters, except the upper bound magnitude. This weakness is a principal problem as seismic regions are constructed scientific objects and not natural units. It also applies to alternative distribution models. The presented generalized truncated exponential distribution (GTED) overcomes this weakness. The ED and the TED are special cases of the GTED. Different issues of the statistical inference are also discussed and an example of empirical data is presented in the current contribution.

PLATYPUS: A code for reaction dynamics of weakly-bound nuclei at near-barrier energies within a classical dynamical model

NASA Astrophysics Data System (ADS)

Diaz-Torres, Alexis

2011-04-01

A self-contained Fortran-90 program based on a three-dimensional classical dynamical reaction model with stochastic breakup is presented, which is a useful tool for quantifying complete and incomplete fusion, and breakup in reactions induced by weakly-bound two-body projectiles near the Coulomb barrier. The code calculates (i) integrated complete and incomplete fusion cross sections and their angular momentum distribution, (ii) the excitation energy distribution of the primary incomplete-fusion products, (iii) the asymptotic angular distribution of the incomplete-fusion products and the surviving breakup fragments, and (iv) breakup observables, such as angle, kinetic energy and relative energy distributions. Program summaryProgram title: PLATYPUS Catalogue identifier: AEIG_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEIG_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 332 342 No. of bytes in distributed program, including test data, etc.: 344 124 Distribution format: tar.gz Programming language: Fortran-90 Computer: Any Unix/Linux workstation or PC with a Fortran-90 compiler Operating system: Linux or Unix RAM: 10 MB Classification: 16.9, 17.7, 17.8, 17.11 Nature of problem: The program calculates a wide range of observables in reactions induced by weakly-bound two-body nuclei near the Coulomb barrier. These include integrated complete and incomplete fusion cross sections and their spin distribution, as well as breakup observables (e.g. the angle, kinetic energy, and relative energy distributions of the fragments). Solution method: All the observables are calculated using a three-dimensional classical dynamical model combined with the Monte Carlo sampling of probability-density distributions. See Refs. [1,2] for further details. Restrictions: The program is suited for a weakly-bound two-body projectile colliding with a stable target. The initial orientation of the segment joining the two breakup fragments is considered to be isotropic. Additional comments: Several source routines from Numerical Recipies, and the Mersenne Twister random number generator package are included to enable independent compilation. Running time: About 75 minutes for input provided, using a PC with 1.5 GHz processor.

Approximation algorithm for the problem of partitioning a sequence into clusters

NASA Astrophysics Data System (ADS)

Kel'manov, A. V.; Mikhailova, L. V.; Khamidullin, S. A.; Khandeev, V. I.

2017-08-01

We consider the problem of partitioning a finite sequence of Euclidean points into a given number of clusters (subsequences) using the criterion of the minimal sum (over all clusters) of intercluster sums of squared distances from the elements of the clusters to their centers. It is assumed that the center of one of the desired clusters is at the origin, while the center of each of the other clusters is unknown and determined as the mean value over all elements in this cluster. Additionally, the partition obeys two structural constraints on the indices of sequence elements contained in the clusters with unknown centers: (1) the concatenation of the indices of elements in these clusters is an increasing sequence, and (2) the difference between an index and the preceding one is bounded above and below by prescribed constants. It is shown that this problem is strongly NP-hard. A 2-approximation algorithm is constructed that is polynomial-time for a fixed number of clusters.

Dark Energy Survey Year 1 Results: Cross-Correlation Redshifts in the DES -- Calibration of the Weak Lensing Source Redshift Distributions

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

Davis, C.; et al.

We present the calibration of the Dark Energy Survey Year 1 (DES Y1) weak lensing source galaxy redshift distributions from clustering measurements. By cross-correlating the positions of source galaxies with luminous red galaxies selected by the redMaGiC algorithm we measure the redshift distributions of the source galaxies as placed into different tomographic bins. These measurements constrain any such shifts to an accuracy ofmore » $$\\sim0.02$$ and can be computed even when the clustering measurements do not span the full redshift range. The highest-redshift source bin is not constrained by the clustering measurements because of the minimal redshift overlap with the redMaGiC galaxies. We compare our constraints with those obtained from $$\\texttt{COSMOS}$$ 30-band photometry and find that our two very different methods produce consistent constraints.« less

Stability chart of small mixed 4He-3He clusters

NASA Astrophysics Data System (ADS)

Guardiola, R.; Navarro, J.

2003-11-01

A stability chart of mixed 4He and 3He clusters has been obtained by means of the diffusion Monte Carlo method, using both the Aziz HFD-B and the Tang-Toennies-Yiu atom-atom interaction. The investigated clusters contain up to eight 4He atoms and up to 20 3He atoms. One single 4He binds 20 3He atoms, and two 4He bind 1, 2, 8, and more than 14 3He atoms. All clusters with three or more 4He atoms are bound, although the combinations 4He33He9,10,11 and 4He34He9 are metastable. Clusters with 2, 8, and 20 3He atoms are particularly stable and define magic 3He numbers.

Age differences in change-of-direction performance and its subelements in female football players.

PubMed

Hirose, Norikazu; Nakahori, Chikako

2015-05-01

To describe cross-sectional age differences in change-of-direction performance (CODp) in female football players and investigate the relationship between CODp and linear-sprint speed, muscle power, and body size. A sample of 135 well-trained female football players was divided into 8 age groups. Anthropometry (height, body mass, and lean body mass) and athletic performance (10-m sprint speed, 10-m×5-CODp, and 5-step bounding distance) were compared to determine interage differences using ANOVA. Then, the participants were divided into 3 age groups: 12- to 14-y-olds, 15- to 17-y-olds, and ≥18 y-olds. Simple- and multiple-regression analyses were conducted to determine the correlation between CODp and the other measurement variables in each age group. Age-related differences were found for CODp (F=10.41, P<.01), sprint speed (F=3.27, P<.01), and bounding distance (F=4.20, P<.01). Post hoc analysis revealed that the CODp of 17-y-old players was faster than that of 16-y-old players (P<.01), with no interage differences in sprint speed and bounding distance. Sprint speed and bounding distance were weakly correlated with CODp in 15- to ≥18-y-old players, but only sprint speed was correlated with CODp in 12- to 14-y-old players. CODp improves from 16 to 17 y of age in female players. Linear-sprint speed, muscle power, and body size were weakly correlated with the age differences in CODp.

The Double Galaxy Cluster A2465. III. X-Ray and Weak-lensing Observations

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

Wegner, Gary A.; Umetsu, Keiichi; Molnar, Sandor M.

We report Chandra X-ray observations and optical weak-lensing measurements from Subaru/Suprime-Cam images of the double galaxy cluster A2465 ( z = 0.245). The X-ray brightness data are fit to a β model to obtain the radial gas density profiles of the northeast (NE) and southwest (SW) subcomponents, which are seen to differ in structure. We determine core radii, central temperatures, the gas masses within r {sub 500c}, and the total masses for the broader NE and sharper SW components assuming hydrostatic equilibrium. There is no large X-ray excess between the two components. The central entropy of the NE subcluster ismore » about two times higher than the SW. Along with its structural properties and an apparent radio halo that is a sign of a merger, this suggests that the NE component has undergone merging on its own. The weak-lensing analysis gives virial masses for each substructure, which compare well with earlier dynamical results. The derived outer mass contours of the SW sub-component from weak lensing are more irregular and extended than those of the NE. Although there is a weak enhancement and small offsets between X-ray gas and mass centers from weak lensing, the lack of large amounts of gas between the two subclusters indicates that A2465 is in a pre-merger state. We discuss star formation enhancement in this system resulting from its dynamics and shock-induced star formation scenarios. A dynamical model that is consistent with the observed cluster data, based on the FLASH program and the radial infall model, is constructed, where the subclusters currently separated by ∼1.2 Mpc are approaching each other at ∼2000 km s{sup −1} and will meet in ∼0.4 Gyr.« less

The Double Galaxy Cluster A2465. III. X-Ray and Weak-lensing Observations

NASA Astrophysics Data System (ADS)

Wegner, Gary A.; Umetsu, Keiichi; Molnar, Sandor M.; Nonino, Mario; Medezinski, Elinor; Andrade-Santos, Felipe; Bogdan, Akos; Lovisari, Lorenzo; Forman, William R.; Jones, Christine

2017-07-01

We report Chandra X-ray observations and optical weak-lensing measurements from Subaru/Suprime-Cam images of the double galaxy cluster A2465 (z = 0.245). The X-ray brightness data are fit to a β model to obtain the radial gas density profiles of the northeast (NE) and southwest (SW) subcomponents, which are seen to differ in structure. We determine core radii, central temperatures, the gas masses within r 500c, and the total masses for the broader NE and sharper SW components assuming hydrostatic equilibrium. There is no large X-ray excess between the two components. The central entropy of the NE subcluster is about two times higher than the SW. Along with its structural properties and an apparent radio halo that is a sign of a merger, this suggests that the NE component has undergone merging on its own. The weak-lensing analysis gives virial masses for each substructure, which compare well with earlier dynamical results. The derived outer mass contours of the SW sub-component from weak lensing are more irregular and extended than those of the NE. Although there is a weak enhancement and small offsets between X-ray gas and mass centers from weak lensing, the lack of large amounts of gas between the two subclusters indicates that A2465 is in a pre-merger state. We discuss star formation enhancement in this system resulting from its dynamics and shock-induced star formation scenarios. A dynamical model that is consistent with the observed cluster data, based on the FLASH program and the radial infall model, is constructed, where the subclusters currently separated by ˜1.2 Mpc are approaching each other at ˜2000 km s-1 and will meet in ˜0.4 Gyr. Based in part on data collected at the Subaru Telescope, which is operated by the National Astronomical Society of Japan.

Persistence of noncompact normally hyperbolic invariant manifolds in bounded geometry

NASA Astrophysics Data System (ADS)

Edwards, Monroe

Traveling wave tubes must operate in a metal and ceramic vacuum for efficient electron amplification. Weak metallize bonds lead to vacuum leaks and a higher cost of poor quality. The management of TWT Manufacturing (pseudonym) has used a team of metallize workers to attack the problem through brainstorming and subsequent design of experiments (DOE). The purpose of the DOE, which is the focus of this project, is to determine if certain parameters can be changed to increase the strength enough to eliminate failures to weak metallize bonds. The experimental results show the strength can be increased enough and have been recorded in the process instructions. The implementation of the DOE results has saved over nine percent in the budgeted cost of weak metallize bond scrap. This study concludes that raising the metallize tensile strength practically eliminates weak metallize bonds and the cost of poor quality due to this weakness.

Constraining stochastic gravitational wave background from weak lensing of CMB B-modes

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

Shaikh, Shabbir; Mukherjee, Suvodip; Souradeep, Tarun

2016-09-01

A stochastic gravitational wave background (SGWB) will affect the CMB anisotropies via weak lensing. Unlike weak lensing due to large scale structure which only deflects photon trajectories, a SGWB has an additional effect of rotating the polarization vector along the trajectory. We study the relative importance of these two effects, deflection and rotation, specifically in the context of E-mode to B-mode power transfer caused by weak lensing due to SGWB. Using weak lensing distortion of the CMB as a probe, we derive constraints on the spectral energy density (Ω{sub GW}) of the SGWB, sourced at different redshifts, without assuming anymore » particular model for its origin. We present these bounds on Ω{sub GW} for different power-law models characterizing the SGWB, indicating the threshold above which observable imprints of SGWB must be present in CMB.« less

Testing the Standard Model by precision measurement of the weak charges of quarks

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

Ross Young; Roger Carlini; Anthony Thomas

In a global analysis of the latest parity-violating electron scattering measurements on nuclear targets, we demonstrate a significant improvement in the experimental knowledge of the weak neutral-current lepton-quark interactions at low-energy. The precision of this new result, combined with earlier atomic parity-violation measurements, limits the magnitude of possible contributions from physics beyond the Standard Model - setting a model-independent, lower-bound on the scale of new physics at ~1 TeV.

Testing the standard model by precision measurement of the weak charges of quarks.

PubMed

Young, R D; Carlini, R D; Thomas, A W; Roche, J

2007-09-21

In a global analysis of the latest parity-violating electron scattering measurements on nuclear targets, we demonstrate a significant improvement in the experimental knowledge of the weak neutral-current lepton-quark interactions at low energy. The precision of this new result, combined with earlier atomic parity-violation measurements, places tight constraints on the size of possible contributions from physics beyond the standard model. Consequently, this result improves the lower-bound on the scale of relevant new physics to approximately 1 TeV.

The insignificant evolution of the richness-mass relation of galaxy clusters

NASA Astrophysics Data System (ADS)

Andreon, S.; Congdon, P.

2014-08-01

We analysed the richness-mass scaling of 23 very massive clusters at 0.15 < z < 0.55 with homogenously measured weak-lensing masses and richnesses within a fixed aperture of 0.5 Mpc radius. We found that the richness-mass scaling is very tight (the scatter is <0.09 dex with 90% probability) and independent of cluster evolutionary status and morphology. This implies a close association between infall and evolution of dark matter and galaxies in the central region of clusters. We also found that the evolution of the richness-mass intercept is minor at most, and, given the minor mass evolution across the studied redshift range, the richness evolution of individual massive clusters also turns out to be very small. Finally, it was paramount to account for the cluster mass function and the selection function. Ignoring them would lead to larger biases than the (otherwise quoted) errors. Our study benefits from: a) weak-lensing masses instead of proxy-based masses thereby removing the ambiguity between a real trend and one induced by an accounted evolution of the used mass proxy; b) the use of projected masses that simplify the statistical analysis thereby not requiring consideration of the unknown covariance induced by the cluster orientation/triaxiality; c) the use of aperture masses as they are free of the pseudo-evolution of mass definitions anchored to the evolving density of the Universe; d) a proper accounting of the sample selection function and of the Malmquist-like effect induced by the cluster mass function; e) cosmological simulations for the computation of the cluster mass function, its evolution, and the mass growth of each individual cluster.

Structure and substructure analysis of DAFT/FADA galaxy clusters in the [0.4–0.9] redshift range

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

Guennou, L.; et al.

2014-01-17

Context. The DAFT/FADA survey is based on the study of ~90 rich(masses found in the literature >2 x 10^14 M_⊙)and moderately distant clusters (redshifts 0.4 < z < 0.9), all withHST imaging data available. This survey has two main objectives: to constrain dark energy(DE) using weak lensing tomography on galaxy clusters and to build a database (deepmulti-band imaging allowing photometric redshift estimates, spectroscopic data, X-raydata) of rich distant clusters to study their properties.

Testing the Bose-Einstein Condensate dark matter model at galactic cluster scale

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

Harko, Tiberiu; Liang, Pengxiang; Liang, Shi-Dong

The possibility that dark matter may be in the form of a Bose-Einstein Condensate (BEC) has been extensively explored at galactic scale. In particular, good fits for the galactic rotations curves have been obtained, and upper limits for the dark matter particle mass and scattering length have been estimated. In the present paper we extend the investigation of the properties of the BEC dark matter to the galactic cluster scale, involving dark matter dominated astrophysical systems formed of thousands of galaxies each. By considering that one of the major components of a galactic cluster, the intra-cluster hot gas, is describedmore » by King's β-model, and that both intra-cluster gas and dark matter are in hydrostatic equilibrium, bound by the same total mass profile, we derive the mass and density profiles of the BEC dark matter. In our analysis we consider several theoretical models, corresponding to isothermal hot gas and zero temperature BEC dark matter, non-isothermal gas and zero temperature dark matter, and isothermal gas and finite temperature BEC, respectively. The properties of the finite temperature BEC dark matter cluster are investigated in detail numerically. We compare our theoretical results with the observational data of 106 galactic clusters. Using a least-squares fitting, as well as the observational results for the dark matter self-interaction cross section, we obtain some upper bounds for the mass and scattering length of the dark matter particle. Our results suggest that the mass of the dark matter particle is of the order of μ eV, while the scattering length has values in the range of 10{sup −7} fm.« less

UV laser photoactivation of hexachloroplatinate bound to individual nucleobases in vacuo as molecular level probes of a model photopharmaceutical.

PubMed

Matthews, Edward; Sen, Ananya; Yoshikawa, Naruo; Bergström, Ed; Dessent, Caroline E H

2016-06-01

Isolated molecular clusters of adenine, cytosine, thymine and uracil bound to hexachloroplatinate, PtCl6(2-), have been studied using laser electronic photodissociation spectroscopy to investigate photoactivation of a platinum complex in the vicinity of a nucleobase. These metal complex-nucleobase clusters represent model systems for identifying the fundamental photochemical processes occurring in photodynamic platinum drug therapies that target DNA. This is the first study to explore the specific role of a strongly photoactive platinum compound in the aggregate complex. Each of the clusters studied displays a broadly similar absorption spectra, with a strong λmax ∼ 4.6 eV absorption band and a subsequent increase in the absorption intensity towards higher spectral-energy. The absorption bands are traced to ligand-to-metal-charge-transfer excitations on the PtCl6(2-) moiety within the cluster, and result in Cl(-)·nucleobase and PtCl5(-) as primary photofragments. These results demonstrate how selective photoexcitation can drive distinctive photodecay channels for a model photo-pharmaceutical. In addition, cluster absorption due to excitation of nucleobase-centred chromophores is observed in the region around 5 eV. For the uracil cluster, photofragments consistent with ultrafast decay of the excited state and vibrational predissociation on the ground-state surface are observed. However, this decay channel becomes successively weaker on going from thymine to cytosine to adenine, due to differential coupling of the excited states to the electron detachment continuum. These effects demonstrate the distinctive photophysical characteristics of the different nucleobases, and are discussed in the context of the recently recorded photoelectron spectra of theses clusters.

A Bayesian hierarchical model for mortality data from cluster-sampling household surveys in humanitarian crises.

PubMed

Heudtlass, Peter; Guha-Sapir, Debarati; Speybroeck, Niko

2018-05-31

The crude death rate (CDR) is one of the defining indicators of humanitarian emergencies. When data from vital registration systems are not available, it is common practice to estimate the CDR from household surveys with cluster-sampling design. However, sample sizes are often too small to compare mortality estimates to emergency thresholds, at least in a frequentist framework. Several authors have proposed Bayesian methods for health surveys in humanitarian crises. Here, we develop an approach specifically for mortality data and cluster-sampling surveys. We describe a Bayesian hierarchical Poisson-Gamma mixture model with generic (weakly informative) priors that could be used as default in absence of any specific prior knowledge, and compare Bayesian and frequentist CDR estimates using five different mortality datasets. We provide an interpretation of the Bayesian estimates in the context of an emergency threshold and demonstrate how to interpret parameters at the cluster level and ways in which informative priors can be introduced. With the same set of weakly informative priors, Bayesian CDR estimates are equivalent to frequentist estimates, for all practical purposes. The probability that the CDR surpasses the emergency threshold can be derived directly from the posterior of the mean of the mixing distribution. All observation in the datasets contribute to the estimation of cluster-level estimates, through the hierarchical structure of the model. In a context of sparse data, Bayesian mortality assessments have advantages over frequentist ones already when using only weakly informative priors. More informative priors offer a formal and transparent way of combining new data with existing data and expert knowledge and can help to improve decision-making in humanitarian crises by complementing frequentist estimates.

Analysis of ligand-protein exchange by Clustering of Ligand Diffusion Coefficient Pairs (CoLD-CoP)

NASA Astrophysics Data System (ADS)

Snyder, David A.; Chantova, Mihaela; Chaudhry, Saadia

2015-06-01

NMR spectroscopy is a powerful tool in describing protein structures and protein activity for pharmaceutical and biochemical development. This study describes a method to determine weak binding ligands in biological systems by using hierarchic diffusion coefficient clustering of multidimensional data obtained with a 400 MHz Bruker NMR. Comparison of DOSY spectrums of ligands of the chemical library in the presence and absence of target proteins show translational diffusion rates for small molecules upon interaction with macromolecules. For weak binders such as compounds found in fragment libraries, changes in diffusion rates upon macromolecular binding are on the order of the precision of DOSY diffusion measurements, and identifying such subtle shifts in diffusion requires careful statistical analysis. The "CoLD-CoP" (Clustering of Ligand Diffusion Coefficient Pairs) method presented here uses SAHN clustering to identify protein-binders in a chemical library or even a not fully characterized metabolite mixture. We will show how DOSY NMR and the "CoLD-CoP" method complement each other in identifying the most suitable candidates for lysozyme and wheat germ acid phosphatase.

Dynamics of cD clusters of galaxies. II: Analysis of seven Abell clusters

NASA Technical Reports Server (NTRS)

Oegerle, William R.; Hill, John M.

1994-01-01

We have investigated the dynamics of the seven Abell clusters A193, A399, A401, A1795, A1809, A2063, and A2124, based on redshift data reported previously by us (Hill & Oegerle, (1993)). These papers present the initial results of a survey of cD cluster kinematics, with an emphasis on studying the nature of peculiar velocity cD galaxies and their parent clusters. In the current sample, we find no evidence for significant peculiar cD velocities, with respect to the global velocity distribution. However, the cD in A2063 has a significant (3 sigma) peculiar velocity with respect to galaxies in the inner 1.5 Mpc/h, which is likely due to the merger of a subcluster with A2063. We also find significant evidence for subclustering in A1795, and a marginally peculiar cD velocity with respect to galaxies within approximately 200 kpc/h of the cD. The available x-ray, optical, and galaxy redshift data strongly suggest that a subcluster has merged with A1795. We propose that the subclusters which merged with A1795 and A2063 were relatively small, with shallow potential wells, so that the cooling flows in these clusters were not disrupted. Two-body gravitational models of the A399/401 and A2063/MKW3S systems indicate that A399/401 is a bound pair with a total virial mass of approximately 4 x 10(exp 15) solar mass/h, while A2063 and MKW3S are very unlikely to be bound.

QMRA for Drinking Water: 2. The Effect of Pathogen Clustering in Single-Hit Dose-Response Models.

PubMed

Nilsen, Vegard; Wyller, John

2016-01-01

Spatial and/or temporal clustering of pathogens will invalidate the commonly used assumption of Poisson-distributed pathogen counts (doses) in quantitative microbial risk assessment. In this work, the theoretically predicted effect of spatial clustering in conventional "single-hit" dose-response models is investigated by employing the stuttering Poisson distribution, a very general family of count distributions that naturally models pathogen clustering and contains the Poisson and negative binomial distributions as special cases. The analysis is facilitated by formulating the dose-response models in terms of probability generating functions. It is shown formally that the theoretical single-hit risk obtained with a stuttering Poisson distribution is lower than that obtained with a Poisson distribution, assuming identical mean doses. A similar result holds for mixed Poisson distributions. Numerical examples indicate that the theoretical single-hit risk is fairly insensitive to moderate clustering, though the effect tends to be more pronounced for low mean doses. Furthermore, using Jensen's inequality, an upper bound on risk is derived that tends to better approximate the exact theoretical single-hit risk for highly overdispersed dose distributions. The bound holds with any dose distribution (characterized by its mean and zero inflation index) and any conditional dose-response model that is concave in the dose variable. Its application is exemplified with published data from Norovirus feeding trials, for which some of the administered doses were prepared from an inoculum of aggregated viruses. The potential implications of clustering for dose-response assessment as well as practical risk characterization are discussed. © 2016 Society for Risk Analysis.

The impact of baryonic matter on gravitational lensing by galaxy clusters

NASA Astrophysics Data System (ADS)

Lee, Brandyn E.; King, Lindsay; Applegate, Douglas; McCarthy, Ian

2017-01-01

Since the bulk of the matter comprising galaxy clusters exists in the form of dark matter, gravitational N-body simulations have historically been an effective way to investigate large scale structure formation and the astrophysics of galaxy clusters. However, upcoming telescopes such as the Large Synoptic Survey Telescope are expected to have lower systematic errors than older generations, reducing measurement uncertainties and requiring that astrophysicists better quantify the impact of baryonic matter on the cluster lensing signal. Here we outline the effects of baryonic processes on cluster density profiles and on weak lensing mass and concentration estimates. Our analysis is done using clusters grown in the suite of cosmological hydrodynamical simulations known as cosmo-OWLS.

X-ray aspects of the DAFT/FADA clusters

NASA Astrophysics Data System (ADS)

Guennou, L.; Durret, F.; Lima Neto, G. B.; Adami, C.

2012-12-01

We have undertaken the DAFT/FADA survey with the aim of applying constraints on dark energy based on weak lensing tomography as well as obtaining homogeneous and high quality data for a sample of 91 massive clusters in the redshift range [0.4,0.9] for which there are HST archive data. We have analysed the XMM-Newton data available for 42 of these clusters to derive their X-ray temperatures and luminosities and search for substructures. This study was coupled with a dynamical analysis for the 26 clusters having at least 30 spectroscopic galaxy redshifts in the cluster range. We present preliminary results on the coupled X-ray and dynamical analyses of these clusters.

Cross-correlation of weak lensing and gamma rays: implications for the nature of dark matter

NASA Astrophysics Data System (ADS)

Tröster, Tilman; Camera, Stefano; Fornasa, Mattia; Regis, Marco; van Waerbeke, Ludovic; Harnois-Déraps, Joachim; Ando, Shin'ichiro; Bilicki, Maciej; Erben, Thomas; Fornengo, Nicolao; Heymans, Catherine; Hildebrandt, Hendrik; Hoekstra, Henk; Kuijken, Konrad; Viola, Massimo

2017-05-01

We measure the cross-correlation between Fermi gamma-ray photons and over 1000 deg2 of weak lensing data from the Canada-France-Hawaii Telescope Lensing Survey (CFHTLenS), the Red Cluster Sequence Lensing Survey (RCSLenS), and the Kilo Degree Survey (KiDS). We present the first measurement of tomographic weak lensing cross-correlations and the first application of spectral binning to cross-correlations between gamma rays and weak lensing. The measurements are performed using an angular power spectrum estimator while the covariance is estimated using an analytical prescription. We verify the accuracy of our covariance estimate by comparing it to two internal covariance estimators. Based on the non-detection of a cross-correlation signal, we derive constraints on weakly interacting massive particle (WIMP) dark matter. We compute exclusion limits on the dark matter annihilation cross-section <σannv>, decay rate Γdec and particle mass mDM. We find that in the absence of a cross-correlation signal, tomography does not significantly improve the constraining power of the analysis. Assuming a strong contribution to the gamma-ray flux due to small-scale clustering of dark matter and accounting for known astrophysical sources of gamma rays, we exclude the thermal relic cross-section for particle masses of mDM ≲ 20 GeV.

Three-Dimensional Computer-Aided Detection of Microcalcification Clusters in Digital Breast Tomosynthesis.

PubMed

Jeong, Ji-Wook; Chae, Seung-Hoon; Chae, Eun Young; Kim, Hak Hee; Choi, Young-Wook; Lee, Sooyeul

2016-01-01

We propose computer-aided detection (CADe) algorithm for microcalcification (MC) clusters in reconstructed digital breast tomosynthesis (DBT) images. The algorithm consists of prescreening, MC detection, clustering, and false-positive (FP) reduction steps. The DBT images containing the MC-like objects were enhanced by a multiscale Hessian-based three-dimensional (3D) objectness response function and a connected-component segmentation method was applied to extract the cluster seed objects as potential clustering centers of MCs. Secondly, a signal-to-noise ratio (SNR) enhanced image was also generated to detect the individual MC candidates and prescreen the MC-like objects. Each cluster seed candidate was prescreened by counting neighboring individual MC candidates nearby the cluster seed object according to several microcalcification clustering criteria. As a second step, we introduced bounding boxes for the accepted seed candidate, clustered all the overlapping cubes, and examined. After the FP reduction step, the average number of FPs per case was estimated to be 2.47 per DBT volume with a sensitivity of 83.3%.

Uncertainties in the cluster-cluster correlation function

NASA Astrophysics Data System (ADS)

Ling, E. N.; Frenk, C. S.; Barrow, J. D.

1986-12-01

The bootstrap resampling technique is applied to estimate sampling errors and significance levels of the two-point correlation functions determined for a subset of the CfA redshift survey of galaxies and a redshift sample of 104 Abell clusters. The angular correlation function for a sample of 1664 Abell clusters is also calculated. The standard errors in xi(r) for the Abell data are found to be considerably larger than quoted 'Poisson errors'. The best estimate for the ratio of the correlation length of Abell clusters (richness class R greater than or equal to 1, distance class D less than or equal to 4) to that of CfA galaxies is 4.2 + 1.4 or - 1.0 (68 percentile error). The enhancement of cluster clustering over galaxy clustering is statistically significant in the presence of resampling errors. The uncertainties found do not include the effects of possible systematic biases in the galaxy and cluster catalogs and could be regarded as lower bounds on the true uncertainty range.

MC2: Subaru and Hubble Space Telescope Weak-lensing Analysis of the Double Radio Relic Galaxy Cluster PLCK G287.0+32.9

NASA Astrophysics Data System (ADS)

Finner, Kyle; Jee, M. James; Golovich, Nathan; Wittman, David; Dawson, William; Gruen, Daniel; Koekemoer, Anton M.; Lemaux, Brian C.; Seitz, Stella

2017-12-01

The second most significant detection of the Planck Sunyaev‑Zel’dovich survey, PLCK G287.0+32.9 (z = 0.385), boasts two similarly bright radio relics and a radio halo. One radio relic is located ∼ 400 {kpc} NW of the X-ray peak and the other ∼ 2.8 Mpc to the SE. This large difference suggests that a complex merging scenario is required. A key missing puzzle for the merging scenario reconstruction is the underlying dark matter distribution in high resolution. We present a joint Subaru Telescope and Hubble Space Telescope weak-lensing analysis of the cluster. Our analysis shows that the mass distribution features four significant substructures. Of the substructures, a primary cluster of mass {M}200{{c}}={1.59}-0.22+0.25× {10}15 {h}70-1 {M}ȯ dominates the weak-lensing signal. This cluster is likely to be undergoing a merger with one (or more) subcluster whose mass is approximately a factor of 10 lower. One candidate is the subcluster of mass {M}200{{c}}={1.16}-0.13+0.15× {10}14 {h}70-1 {M}ȯ located ∼ 400 {kpc} to the SE. The location of this subcluster suggests that its interaction with the primary cluster could be the source of the NW radio relic. Another subcluster is detected ∼ 2 Mpc to the SE of the X-ray peak with mass {M}200{{c}}={1.68}-0.20+0.22× {10}14 {h}70-1 {M}ȯ . This SE subcluster is in the vicinity of the SE radio relic and may have created the SE radio relic during a past merger with the primary cluster. The fourth subcluster, {M}200{{c}}={1.87}-0.22+0.24× {10}14 {h}70-1 {M}ȯ , is NW of the X-ray peak and beyond the NW radio relic.

Fluctuating micro-heterogeneity in water-tert-butyl alcohol mixtures and lambda-type divergence of the mean cluster size with phase transition-like multiple anomalies

NASA Astrophysics Data System (ADS)

Banerjee, Saikat; Furtado, Jonathan; Bagchi, Biman

2014-05-01

Water-tert-butyl alcohol (TBA) binary mixture exhibits a large number of thermodynamic and dynamic anomalies. These anomalies are observed at surprisingly low TBA mole fraction, with xTBA ≈ 0.03-0.07. We demonstrate here that the origin of the anomalies lies in the local structural changes that occur due to self-aggregation of TBA molecules. We observe a percolation transition of the TBA molecules at xTBA ≈ 0.05. We note that "islands" of TBA clusters form even below this mole fraction, while a large spanning cluster emerges above that mole fraction. At this percolation threshold, we observe a lambda-type divergence in the fluctuation of the size of the largest TBA cluster, reminiscent of a critical point. Alongside, the structure of water is also perturbed, albeit weakly, by the aggregation of TBA molecules. There is a monotonic decrease in the tetrahedral order parameter of water, while the dipole moment correlation shows a weak nonlinearity. Interestingly, water molecules themselves exhibit a reverse percolation transition at higher TBA concentration, xTBA ≈ 0.45, where large spanning water clusters now break-up into small clusters. This is accompanied by significant divergence of the fluctuations in the size of largest water cluster. This second transition gives rise to another set of anomalies around. Both the percolation transitions can be regarded as manifestations of Janus effect at small molecular level.

Fluctuating micro-heterogeneity in water-tert-butyl alcohol mixtures and lambda-type divergence of the mean cluster size with phase transition-like multiple anomalies.

PubMed

Banerjee, Saikat; Furtado, Jonathan; Bagchi, Biman

2014-05-21

Water-tert-butyl alcohol (TBA) binary mixture exhibits a large number of thermodynamic and dynamic anomalies. These anomalies are observed at surprisingly low TBA mole fraction, with x(TBA) ≈ 0.03-0.07. We demonstrate here that the origin of the anomalies lies in the local structural changes that occur due to self-aggregation of TBA molecules. We observe a percolation transition of the TBA molecules at x(TBA) ≈ 0.05. We note that "islands" of TBA clusters form even below this mole fraction, while a large spanning cluster emerges above that mole fraction. At this percolation threshold, we observe a lambda-type divergence in the fluctuation of the size of the largest TBA cluster, reminiscent of a critical point. Alongside, the structure of water is also perturbed, albeit weakly, by the aggregation of TBA molecules. There is a monotonic decrease in the tetrahedral order parameter of water, while the dipole moment correlation shows a weak nonlinearity. Interestingly, water molecules themselves exhibit a reverse percolation transition at higher TBA concentration, x(TBA) ≈ 0.45, where large spanning water clusters now break-up into small clusters. This is accompanied by significant divergence of the fluctuations in the size of largest water cluster. This second transition gives rise to another set of anomalies around. Both the percolation transitions can be regarded as manifestations of Janus effect at small molecular level.

Extension of lattice cluster theory to strongly interacting, self-assembling polymeric systems.

PubMed

Freed, Karl F

2009-02-14

A new extension of the lattice cluster theory is developed to describe the influence of monomer structure and local correlations on the free energy of strongly interacting and self-assembling polymer systems. This extension combines a systematic high dimension (1/d) and high temperature expansion (that is appropriate for weakly interacting systems) with a direct treatment of strong interactions. The general theory is illustrated for a binary polymer blend whose two components contain "sticky" donor and acceptor groups, respectively. The free energy is determined as an explicit function of the donor-acceptor contact probabilities that depend, in turn, on the local structure and both the strong and weak interactions.

Search for weakly decaying Λn ‾ and ΛΛ exotic bound states in central Pb-Pb collisions at √{sNN} = 2.76 TeV

NASA Astrophysics Data System (ADS)

Adam, J.; Adamová, D.; Aggarwal, M. M.; Aglieri Rinella, G.; Agnello, M.; Agrawal, N.; Ahammed, Z.; Ahmed, I.; Ahn, S. U.; Aimo, I.; Aiola, S.; Ajaz, M.; Akindinov, A.; Alam, S. N.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alfaro Molina, R.; Alici, A.; Alkin, A.; Alme, J.; Alt, T.; Altinpinar, S.; Altsybeev, I.; Alves Garcia Prado, C.; Andrei, C.; Andronic, A.; Anguelov, V.; Anielski, J.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arcelli, S.; Armesto, N.; Arnaldi, R.; Aronsson, T.; Arsene, I. C.; Arslandok, M.; Augustinus, A.; Averbeck, R.; Azmi, M. D.; Bach, M.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Baldisseri, A.; Ball, M.; Baltasar Dos Santos Pedrosa, F.; Baral, R. C.; Barbano, A. M.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartalini, P.; Bartke, J.; Bartsch, E.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batista Camejo, A.; Batyunya, B.; Batzing, P. C.; Bearden, I. G.; Beck, H.; Bedda, C.; Behera, N. K.; Belikov, I.; Bellini, F.; Bello Martinez, H.; Bellwied, R.; Belmont, R.; Belmont-Moreno, E.; Belyaev, V.; Bencedi, G.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Bertens, R. A.; Berzano, D.; Betev, L.; Bhasin, A.; Bhat, I. R.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Biswas, S.; Bjelogrlic, S.; Blanco, F.; Blau, D.; Blume, C.; Bock, F.; Bogdanov, A.; Bøggild, H.; Boldizsár, L.; Bombara, M.; Book, J.; Borel, H.; Borissov, A.; Borri, M.; Bossú, F.; Botje, M.; Botta, E.; Böttger, S.; Braun-Munzinger, P.; Bregant, M.; Breitner, T.; Broker, T. A.; Browning, T. A.; Broz, M.; Brucken, E. J.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buncic, P.; Busch, O.; Buthelezi, Z.; Buxton, J. T.; Caffarri, D.; Cai, X.; Caines, H.; Calero Diaz, L.; Caliva, A.; Calvo Villar, E.; Camerini, P.; Carena, F.; Carena, W.; Castillo Castellanos, J.; Castro, A. J.; Casula, E. A. R.; Cavicchioli, C.; Ceballos Sanchez, C.; Cepila, J.; Cerello, P.; Chang, B.; Chapeland, S.; Chartier, M.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Chelnokov, V.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Chochula, P.; Choi, K.; Chojnacki, M.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Conesa Balbastre, G.; Conesa del Valle, Z.; Connors, M. E.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortés Maldonado, I.; Cortese, P.; Cosentino, M. R.; Costa, F.; Crochet, P.; Cruz Albino, R.; Cuautle, E.; Cunqueiro, L.; Dahms, T.; Dainese, A.; Danu, A.; Das, D.; Das, I.; Das, S.; Dash, A.; Dash, S.; De, S.; De Caro, A.; de Cataldo, G.; de Cuveland, J.; De Falco, A.; De Gruttola, D.; De Marco, N.; De Pasquale, S.; Deisting, A.; Deloff, A.; Dénes, E.; D'Erasmo, G.; Di Bari, D.; Di Mauro, A.; Di Nezza, P.; Diaz Corchero, M. A.; Dietel, T.; Dillenseger, P.; Divià, R.; Djuvsland, Ø.; Dobrin, A.; Dobrowolski, T.; Domenicis Gimenez, D.; Dönigus, B.; Dordic, O.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Dupieux, P.; Ehlers, R. J.; Elia, D.; Engel, H.; Erazmus, B.; Erhardt, F.; Eschweiler, D.; Espagnon, B.; Estienne, M.; Esumi, S.; Evans, D.; Evdokimov, S.; Eyyubova, G.; Fabbietti, L.; Fabris, D.; Faivre, J.; Fantoni, A.; Fasel, M.; Feldkamp, L.; Felea, D.; Feliciello, A.; Feofilov, G.; Ferencei, J.; Fernández Téllez, A.; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Fleck, M. G.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Frankenfeld, U.; Fuchs, U.; Furget, C.; Furs, A.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A. M.; Gallio, M.; Gangadharan, D. R.; Ganoti, P.; Gao, C.; Garabatos, C.; Garcia-Solis, E.; Gargiulo, C.; Gasik, P.; Germain, M.; Gheata, A.; Gheata, M.; Ghosh, P.; Ghosh, S. K.; Gianotti, P.; Giubellino, P.; Giubilato, P.; Gladysz-Dziadus, E.; Glässel, P.; Gomez Ramirez, A.; González-Zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Grabski, V.; Graczykowski, L. K.; Grelli, A.; Grigoras, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grinyov, B.; Grion, N.; Grosse-Oetringhaus, J. F.; Grossiord, J.-Y.; Grosso, R.; Guber, F.; Guernane, R.; Guerzoni, B.; Gulbrandsen, K.; Gulkanyan, H.; Gunji, T.; Gupta, A.; Gupta, R.; Haake, R.; Haaland, Ø.; Hadjidakis, C.; Haiduc, M.; Hamagaki, H.; Hamar, G.; Hanratty, L. D.; Hansen, A.; Harris, J. W.; Hartmann, H.; Harton, A.; Hatzifotiadou, D.; Hayashi, S.; Heckel, S. T.; Heide, M.; Helstrup, H.; Herghelegiu, A.; Herrera Corral, G.; Hess, B. A.; Hetland, K. F.; Hilden, T. E.; Hillemanns, H.; Hippolyte, B.; Hristov, P.; Huang, M.; Humanic, T. J.; Hussain, N.; Hussain, T.; Hutter, D.; Hwang, D. S.; Ilkaev, R.; Ilkiv, I.; Inaba, M.; Ionita, C.; Ippolitov, M.; Irfan, M.; Ivanov, M.; Ivanov, V.; Izucheev, V.; Jachołkowski, A.; Jacobs, P. M.; Jahnke, C.; Jang, H. J.; Janik, M. A.; Jayarathna, P. H. S. Y.; Jena, C.; Jena, S.; Jimenez Bustamante, R. T.; Jones, P. G.; Jung, H.; Jusko, A.; Kalinak, P.; Kalweit, A.; Kamin, J.; Kang, J. H.; Kaplin, V.; Kar, S.; Karasu Uysal, A.; Karavichev, O.; Karavicheva, T.; Karpechev, E.; Kebschull, U.; Keidel, R.; Keijdener, D. L. D.; Keil, M.; Khan, K. H.; Khan, M. M.; Khan, P.; Khan, S. A.; Khanzadeev, A.; Kharlov, Y.; Kileng, B.; Kim, B.; Kim, D. W.; Kim, D. J.; Kim, H.; Kim, J. S.; Kim, M.; Kim, M.; Kim, S.; Kim, T.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Kiss, G.; Klay, J. L.; Klein, C.; Klein, J.; Klein-Bösing, C.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Kobayashi, T.; Kobdaj, C.; Kofarago, M.; Köhler, M. K.; Kollegger, T.; Kolojvari, A.; Kondratiev, V.; Kondratyeva, N.; Kondratyuk, E.; Konevskikh, A.; Kouzinopoulos, C.; Kovalenko, V.; Kowalski, M.; Kox, S.; Koyithatta Meethaleveedu, G.; Kral, J.; Králik, I.; Kravčáková, A.; Krelina, M.; Kretz, M.; Krivda, M.; Krizek, F.; Kryshen, E.; Krzewicki, M.; Kubera, A. M.; Kučera, V.; Kucheriaev, Y.; Kugathasan, T.; Kuhn, C.; Kuijer, P. G.; Kulakov, I.; Kumar, J.; Kumar, L.; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kushpil, S.; Kweon, M. J.; Kwon, Y.; La Pointe, S. L.; La Rocca, P.; Lagana Fernandes, C.; Lakomov, I.; Langoy, R.; Lara, C.; Lardeux, A.; Lattuca, A.; Laudi, E.; Lea, R.; Leardini, L.; Lee, G. R.; Lee, S.; Legrand, I.; Lehnert, J.; Lemmon, R. C.; Lenti, V.; Leogrande, E.; León Monzón, I.; Leoncino, M.; Lévai, P.; Li, S.; Li, X.; Lien, J.; Lietava, R.; Lindal, S.; Lindenstruth, V.; Lippmann, C.; Lisa, M. A.; Ljunggren, H. M.; Lodato, D. F.; Loenne, P. I.; Loggins, V. R.; Loginov, V.; Loizides, C.; Lopez, X.; López Torres, E.; Lowe, A.; Lu, X.-G.; Luettig, P.; Lunardon, M.; Luparello, G.; Maevskaya, A.; Mager, M.; Mahajan, S.; Mahmood, S. M.; Maire, A.; Majka, R. D.; Malaev, M.; Maldonado Cervantes, I.; Malinina, L.; Mal'Kevich, D.; Malzacher, P.; Mamonov, A.; Manceau, L.; Manko, V.; Manso, F.; Manzari, V.; Marchisone, M.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Margutti, J.; Marín, A.; Markert, C.; Marquard, M.; Martashvili, I.; Martin, N. A.; Martin Blanco, J.; Martinengo, P.; Martínez, M. I.; Martínez García, G.; Martinez Pedreira, M.; Martynov, Y.; Mas, A.; Masciocchi, S.; Masera, M.; Masoni, A.; Massacrier, L.; Mastroserio, A.; Matyja, A.; Mayer, C.; Mazer, J.; Mazzoni, M. A.; Mcdonald, D.; Meddi, F.; Menchaca-Rocha, A.; Meninno, E.; Mercado Pérez, J.; Meres, M.; Miake, Y.; Mieskolainen, M. M.; Mikhaylov, K.; Milano, L.; Milosevic, J.; Minervini, L. M.; Mischke, A.; Mishra, A. N.; Miśkowiec, D.; Mitra, J.; Mitu, C. M.; Mohammadi, N.; Mohanty, B.; Molnar, L.; Montaño Zetina, L.; Montes, E.; Morando, M.; Moretto, S.; Morreale, A.; Morsch, A.; Muccifora, V.; Mudnic, E.; Mühlheim, D.; Muhuri, S.; Mukherjee, M.; Müller, H.; Mulligan, J. D.; Munhoz, M. G.; Murray, S.; Musa, L.; Musinsky, J.; Nandi, B. K.; Nania, R.; Nappi, E.; Naru, M. U.; Nattrass, C.; Nayak, K.; Nayak, T. K.; Nazarenko, S.; Nedosekin, A.; Nellen, L.; Ng, F.; Nicassio, M.; Niculescu, M.; Niedziela, J.; Nielsen, B. S.; Nikolaev, S.; Nikulin, S.; Nikulin, V.; Noferini, F.; Nomokonov, P.; Nooren, G.; Norman, J.; Nyanin, A.; Nystrand, J.; Oeschler, H.; Oh, S.; Oh, S. K.; Ohlson, A.; Okatan, A.; Okubo, T.; Olah, L.; Oleniacz, J.; Oliveira Da Silva, A. C.; Oliver, M. H.; Onderwaater, J.; Oppedisano, C.; Ortiz Velasquez, A.; Oskarsson, A.; Otwinowski, J.; Oyama, K.; Ozdemir, M.; Pachmayer, Y.; Pagano, P.; Paić, G.; Pajares, C.; Pal, S. K.; Pan, J.; Pandey, A. K.; Pant, D.; Papikyan, V.; Pappalardo, G. S.; Pareek, P.; Park, W. J.; Parmar, S.; Passfeld, A.; Paticchio, V.; Paul, B.; Pawlak, T.; Peitzmann, T.; Pereira Da Costa, H.; Pereira De Oliveira Filho, E.; Peresunko, D.; Pérez Lara, C. E.; Peskov, V.; Pestov, Y.; Petráček, V.; Petrov, V.; Petrovici, M.; Petta, C.; Piano, S.; Pikna, M.; Pillot, P.; Pinazza, O.; Pinsky, L.; Piyarathna, D. B.; Płoskoń, M.; Planinic, M.; Pluta, J.; Pochybova, S.; Podesta-Lerma, P. L. M.; Poghosyan, M. G.; Polichtchouk, B.; Poljak, N.; Poonsawat, W.; Pop, A.; Porteboeuf-Houssais, S.; Porter, J.; Pospisil, J.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puccio, M.; Puddu, G.; Pujahari, P.; Punin, V.; Putschke, J.; Qvigstad, H.; Rachevski, A.; Raha, S.; Rajput, S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Raniwala, R.; Raniwala, S.; Räsänen, S. S.; Rascanu, B. T.; Rathee, D.; Razazi, V.; Read, K. F.; Real, J. S.; Redlich, K.; Reed, R. J.; Rehman, A.; Reichelt, P.; Reicher, M.; Reidt, F.; Ren, X.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Rettig, F.; Revol, J.-P.; Reygers, K.; Riabov, V.; Ricci, R. A.; Richert, T.; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Ristea, C.; Rivetti, A.; Rocco, E.; Rodríguez Cahuantzi, M.; Rodriguez Manso, A.; Røed, K.; Rogochaya, E.; Rohr, D.; Röhrich, D.; Romita, R.; Ronchetti, F.; Ronflette, L.; Rosnet, P.; Rossi, A.; Roukoutakis, F.; Roy, A.; Roy, C.; Roy, P.; Rubio Montero, A. J.; Rui, R.; Russo, R.; Ryabinkin, E.; Ryabov, Y.; Rybicki, A.; Sadovsky, S.; Šafařík, K.; Sahlmuller, B.; Sahoo, P.; Sahoo, R.; Sahoo, S.; Sahu, P. K.; Saini, J.; Sakai, S.; Saleh, M. A.; Salgado, C. A.; Salzwedel, J.; Sambyal, S.; Samsonov, V.; Sanchez Castro, X.; Šándor, L.; Sandoval, A.; Sano, M.; Santagati, G.; Sarkar, D.; Scapparone, E.; Scarlassara, F.; Scharenberg, R. P.; Schiaua, C.; Schicker, R.; Schmidt, C.; Schmidt, H. R.; Schuchmann, S.; Schukraft, J.; Schulc, M.; Schuster, T.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Scott, R.; Seeder, K. S.; Seger, J. E.; Sekiguchi, Y.; Selyuzhenkov, I.; Senosi, K.; Seo, J.; Serradilla, E.; Sevcenco, A.; Shabanov, A.; Shabetai, A.; Shadura, O.; Shahoyan, R.; Shangaraev, A.; Sharma, A.; Sharma, N.; Shigaki, K.; Shtejer, K.; Sibiriak, Y.; Siddhanta, S.; Sielewicz, K. M.; Siemiarczuk, T.; Silvermyr, D.; Silvestre, C.; Simatovic, G.; Simonetti, G.; Singaraju, R.; Singh, R.; Singha, S.; Singhal, V.; Sinha, B. C.; Sinha, T.; Sitar, B.; Sitta, M.; Skaali, T. B.; Slupecki, M.; Smirnov, N.; Snellings, R. J. M.; Snellman, T. W.; Søgaard, C.; Soltz, R.; Song, J.; Song, M.; Song, Z.; Soramel, F.; Sorensen, S.; Spacek, M.; Spiriti, E.; Sputowska, I.; Spyropoulou-Stassinaki, M.; Srivastava, B. K.; Stachel, J.; Stan, I.; Stefanek, G.; Steinpreis, M.; Stenlund, E.; Steyn, G.; Stiller, J. H.; Stocco, D.; Strmen, P.; Suaide, A. A. P.; Sugitate, T.; Suire, C.; Suleymanov, M.; Sultanov, R.; Šumbera, M.; Symons, T. J. M.; Szabo, A.; Szanto de Toledo, A.; Szarka, I.; Szczepankiewicz, A.; Szymanski, M.; Takahashi, J.; Tanaka, N.; Tangaro, M. A.; Tapia Takaki, J. D.; Tarantola Peloni, A.; Tariq, M.; Tarzila, M. G.; Tauro, A.; Tejeda Muñoz, G.; Telesca, A.; Terasaki, K.; Terrevoli, C.; Teyssier, B.; Thäder, J.; Thomas, D.; Tieulent, R.; Timmins, A. R.; Toia, A.; Trogolo, S.; Trubnikov, V.; Trzaska, W. H.; Tsuji, T.; Tumkin, A.; Turrisi, R.; Tveter, T. S.; Ullaland, K.; Uras, A.; Usai, G. L.; Utrobicic, A.; Vajzer, M.; Vala, M.; Valencia Palomo, L.; Vallero, S.; Van Der Maarel, J.; Van Hoorne, J. W.; van Leeuwen, M.; Vanat, T.; Vande Vyvre, P.; Varga, D.; Vargas, A.; Vargyas, M.; Varma, R.; Vasileiou, M.; Vasiliev, A.; Vauthier, A.; Vechernin, V.; Veen, A. M.; Veldhoen, M.; Velure, A.; Venaruzzo, M.; Vercellin, E.; Vergara Limón, S.; Vernet, R.; Verweij, M.; Vickovic, L.; Viesti, G.; Viinikainen, J.; Vilakazi, Z.; Villalobos Baillie, O.; Vinogradov, A.; Vinogradov, L.; Vinogradov, Y.; Virgili, T.; Vislavicius, V.; Viyogi, Y. P.; Vodopyanov, A.; Völkl, M. A.; Voloshin, K.; Voloshin, S. A.; Volpe, G.; von Haller, B.; Vorobyev, I.; Vranic, D.; Vrláková, J.; Vulpescu, B.; Vyushin, A.; Wagner, B.; Wagner, J.; Wang, H.; Wang, M.; Wang, Y.; Watanabe, D.; Weber, M.; Weber, S. G.; Wessels, J. P.; Westerhoff, U.; Wiechula, J.; Wikne, J.; Wilde, M.; Wilk, G.; Wilkinson, J.; Williams, M. C. S.; Windelband, B.; Winn, M.; Yaldo, C. G.; Yamaguchi, Y.; Yang, H.; Yang, P.; Yano, S.; Yasnopolskiy, S.; Yin, Z.; Yokoyama, H.; Yoo, I.-K.; Yurchenko, V.; Yushmanov, I.; Zaborowska, A.; Zaccolo, V.; Zaman, A.; Zampolli, C.; Zanoli, H. J. C.; Zaporozhets, S.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zgura, I. S.; Zhalov, M.; Zhang, H.; Zhang, X.; Zhang, Y.; Zhao, C.; Zhigareva, N.; Zhou, D.; Zhou, Y.; Zhou, Z.; Zhu, H.; Zhu, J.; Zhu, X.; Zichichi, A.; Zimmermann, A.; Zimmermann, M. B.; Zinovjev, G.; Zyzak, M.

2016-01-01

We present results of a search for two hypothetical strange dibaryon states, i.e. the H-dibaryon and the possible Λn ‾ bound state. The search is performed with the ALICE detector in central (0-10%) Pb-Pb collisions at √{sNN} = 2.76 TeV, by invariant mass analysis in the decay modes Λn ‾ → d ‾π+ and H-dibaryon → Λpπ-. No evidence for these bound states is observed. Upper limits are determined at 99% confidence level for a wide range of lifetimes and for the full range of branching ratios. The results are compared to thermal, coalescence and hybrid UrQMD model expectations, which describe correctly the production of other loosely bound states, like the deuteron and the hypertriton.

Search for weakly decaying Λ n - and ΛΛ exotic bound states in central Pb–Pb collisions at s NN = 2.76  TeV

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

Adam, J.; Adamová, D.; Aggarwal, M. M.

Here, we present results of a search for two hypothetical strange dibaryon states, i.e. the H-dibaryon and the possiblemore » $$\\overline{Λn}$$ bound state. The search is performed with the ALICE detector in central (0-10%) Pb-Pb collisions at $$\\sqrt{s}$$$_ {NN}$$ = 2.76 TeV, by invariant mass analysis in the decay modes $$\\overline{Λn}$$ → $$\\bar{d}$$π + and H-dibaryon →Λpπ -. No evidence for these bound states is observed. Upper limits are determined at 99% confidence level for a wide range of lifetimes and for the full range of branching ratios. The results are compared to thermal, coalescence and hybrid UrQMD model expectations, which describe correctly the production of other loosely bound states, like the deuteron and the hypertriton.« less

Search for weakly decaying Λ n - and ΛΛ exotic bound states in central Pb–Pb collisions at s NN = 2.76  TeV

DOE PAGES

Adam, J.; Adamová, D.; Aggarwal, M. M.; ...

2016-11-28

Here, we present results of a search for two hypothetical strange dibaryon states, i.e. the H-dibaryon and the possiblemore » $$\\overline{Λn}$$ bound state. The search is performed with the ALICE detector in central (0-10%) Pb-Pb collisions at $$\\sqrt{s}$$$_ {NN}$$ = 2.76 TeV, by invariant mass analysis in the decay modes $$\\overline{Λn}$$ → $$\\bar{d}$$π + and H-dibaryon →Λpπ -. No evidence for these bound states is observed. Upper limits are determined at 99% confidence level for a wide range of lifetimes and for the full range of branching ratios. The results are compared to thermal, coalescence and hybrid UrQMD model expectations, which describe correctly the production of other loosely bound states, like the deuteron and the hypertriton.« less

Thermodynamics of Computational Copying in Biochemical Systems

NASA Astrophysics Data System (ADS)

Ouldridge, Thomas E.; Govern, Christopher C.; ten Wolde, Pieter Rein

2017-04-01

Living cells use readout molecules to record the state of receptor proteins, similar to measurements or copies in typical computational devices. But is this analogy rigorous? Can cells be optimally efficient, and if not, why? We show that, as in computation, a canonical biochemical readout network generates correlations; extracting no work from these correlations sets a lower bound on dissipation. For general input, the biochemical network cannot reach this bound, even with arbitrarily slow reactions or weak thermodynamic driving. It faces an accuracy-dissipation trade-off that is qualitatively distinct from and worse than implied by the bound, and more complex steady-state copy processes cannot perform better. Nonetheless, the cost remains close to the thermodynamic bound unless accuracy is extremely high. Additionally, we show that biomolecular reactions could be used in thermodynamically optimal devices under exogenous manipulation of chemical fuels, suggesting an experimental system for testing computational thermodynamics.

Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian

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

Wahlen-Strothman, J. M.; Henderson, T. H.; Hermes, M. R.

Coupled cluster and symmetry projected Hartree-Fock are two central paradigms in electronic structure theory. However, they are very different. Single reference coupled cluster is highly successful for treating weakly correlated systems, but fails under strong correlation unless one sacrifices good quantum numbers and works with broken-symmetry wave functions, which is unphysical for finite systems. Symmetry projection is effective for the treatment of strong correlation at the mean-field level through multireference non-orthogonal configuration interaction wavefunctions, but unlike coupled cluster, it is neither size extensive nor ideal for treating dynamic correlation. We here examine different scenarios for merging these two dissimilar theories.more » We carry out this exercise over the integrable Lipkin model Hamiltonian, which despite its simplicity, encompasses non-trivial physics for degenerate systems and can be solved via diagonalization for a very large number of particles. We show how symmetry projection and coupled cluster doubles individually fail in different correlation limits, whereas models that merge these two theories are highly successful over the entire phase diagram. Despite the simplicity of the Lipkin Hamiltonian, the lessons learned in this work will be useful for building an ab initio symmetry projected coupled cluster theory that we expect to be accurate in the weakly and strongly correlated limits, as well as the recoupling regime.« less

Calibrating the Planck Cluster Mass Scale with Cluster Velocity Dispersions

NASA Astrophysics Data System (ADS)

Amodeo, Stefania; Mei, Simona; Stanford, Spencer A.; Bartlett, James G.; Melin, Jean-Baptiste; Lawrence, Charles R.; Chary, Ranga-Ram; Shim, Hyunjin; Marleau, Francine; Stern, Daniel

2017-08-01

We measure the Planck cluster mass bias using dynamical mass measurements based on velocity dispersions of a subsample of 17 Planck-detected clusters. The velocity dispersions were calculated using redshifts determined from spectra that were obtained at the Gemini observatory with the GMOS multi-object spectrograph. We correct our estimates for effects due to finite aperture, Eddington bias, and correlated scatter between velocity dispersion and the Planck mass proxy. The result for the mass bias parameter, (1-b), depends on the value of the galaxy velocity bias, {b}{{v}}, adopted from simulations: (1-b)=(0.51+/- 0.09){b}{{v}}3. Using a velocity bias of {b}{{v}}=1.08 from Munari et al., we obtain (1-b)=0.64+/- 0.11, I.e., an error of 17% on the mass bias measurement with 17 clusters. This mass bias value is consistent with most previous weak-lensing determinations. It lies within 1σ of the value that is needed to reconcile the Planck cluster counts with the Planck primary cosmic microwave background constraints. We emphasize that uncertainty in the velocity bias severely hampers the precision of the measurements of the mass bias using velocity dispersions. On the other hand, when we fix the Planck mass bias using the constraints from Penna-Lima et al., based on weak-lensing measurements, we obtain a positive velocity bias of {b}{{v}}≳ 0.9 at 3σ .

Weakly bound water structure, bond valence saturation and water dynamics at the goethite (100) surface/aqueous interface: ab initio dynamical simulations.

PubMed

Chen, Ying; Bylaska, Eric J; Weare, John H

2017-03-31

Many important geochemical and biogeochemical reactions occur in the mineral/formation water interface of the highly abundant mineral, goethite [α-Fe(OOH)]. Ab initio molecular dynamics (AIMD) simulations of the goethite α-FeOOH (100) surface and the structure, water bond formation and dynamics of water molecules in the mineral/aqueous interface are presented. Several exchange correlation functionals were employed (PBE96, PBE96 + Grimme, and PBE0) in the simulations of a (3 × 2) goethite surface with 65 absorbed water molecules in a 3D-periodic supercell (a = 30 Å, FeOOH slab ~12 Å thick, solvation layer ~18 Å thick). The lowest energy goethite (100) surface termination model was determined to have an exposed surface Fe 3+ that was loosely capped by a water molecule and a shared hydroxide with a neighboring surface Fe 3+ . The water molecules capping surface Fe 3+ ions were found to be loosely bound at all DFT levels with and without Grimme corrections, indicative that each surface Fe 3+ was coordinated with only five neighbors. These long bonds were supported by bond valence theory calculations, which showed that the bond valence of the surface Fe 3+ was saturated and surface has a neutral charge. The polarization of the water layer adjacent to the surface was found to be small and affected only the nearest water. Analysis by density difference plots and localized Boys orbitals identified three types of water molecules: those loosely bound to the surface Fe 3+ , those hydrogen bonded to the surface hydroxyl, and bulk water with tetrahedral coordination. Boys orbital analysis showed that the spin down lone pair orbital of the weakly absorbed water interact more strongly with the spin up Fe 3+ ion. These weakly bound surface water molecules were found to rapidly exchange with the second water layer (~0.025 exchanges/ps) using a dissociative mechanism. Water molecules adjacent to the surface were found to only weakly interact with the surface and as a result were readily able to exchange with the bulk water. To account for the large surface Fe-OH 2 distances in the DFT calculations it was proposed that the surface Fe 3+ atoms, which already have their bond valence fully satisfied with only five neighbors, are under-coordinated with respect to the bulk coordination. Graphical abstract All first principle calculations, at all practically achievable levels, for the goethite 100 aqueous interface support a long bond and weak interaction between the exposed surface Fe 3+ and water molecules capping the surface. This result is supported by bond valence theory calculations and is indicative that each surface Fe 3+ is coordinated with only 5 neighbors.

Bound and continuum energy distributions of nuclear fragments resulting from tunneling ionization of molecules

NASA Astrophysics Data System (ADS)

Svensmark, Jens; Tolstikhin, Oleg I.; Madsen, Lars Bojer

2018-03-01

We present the theory of tunneling ionization of molecules with both electronic and nuclear motion treated quantum mechanically. The theory provides partial rates for ionization into the different final states of the molecular ion, including both bound vibrational and dissociative channels. The exact results obtained for a one-dimensional model of H2 and D2 are compared with two approximate approaches, the weak-field asymptotic theory and the Born-Oppenheimer approximation. The validity ranges and compatibility of the approaches are identified formally and illustrated by the calculations. The results quantify that at typical field strengths considered in strong-field physics, it is several orders of magnitude more likely to ionize into bound vibrational ionic channels than into the dissociative channel.

Monitoring bound HA1(H1N1) and HA1(H5N1) on freely suspended graphene over plasmonic platforms with infrared spectroscopy

NASA Astrophysics Data System (ADS)

Banerjee, Amrita; Chakraborty, Sumit; Altan-Bonnet, Nihal; Grebel, Haim

2013-09-01

Infrared (IR) spectroscopy provides fingerprinting of the energy and orientation of molecular bonds. The IR signals are generally weak and require amplification. Here we present a new plasmonic platform, made of freely suspended graphene, which was coating periodic metal structures. Only monolayer thick films were needed for a fast signal recording. We demonstrated unique IR absorption signals of bound proteins: these were the hemagglutinin area (HA1) of swine influenza (H1N1) and the avian influenza (H5N1) viruses bound to their respective tri-saccharides ligand receptors. The simplicity and sensitivity of such approach may find applications in fast monitoring of binding events.

Beating the photon-number-splitting attack in practical quantum cryptography.

PubMed

Wang, Xiang-Bin

2005-06-17

We propose an efficient method to verify the upper bound of the fraction of counts caused by multiphoton pulses in practical quantum key distribution using weak coherent light, given whatever type of Eve's action. The protocol simply uses two coherent states for the signal pulses and vacuum for the decoy pulse. Our verified upper bound is sufficiently tight for quantum key distribution with a very lossy channel, in both the asymptotic and nonasymptotic case. So far our protocol is the only decoy-state protocol that works efficiently for currently existing setups.

Astrophysics and cosmology confront the 17 keV neutrino

NASA Technical Reports Server (NTRS)

Kolb, Edward W.; Turner, Michael S.

1991-01-01

A host of astrophysical and cosmological arguments severely constrain the properties of a 17 keV Dirac neutrino. Such a neutrino must have interactions beyond those of the standard electroweak theory to reduce its cosmic abundance (through decay or annihilation) by a factor of two hundred. A predicament arises because the additional helicity states of the neutrino necessary to construct a Dirac mass must have interactions strong enough to evade the astrophysical bound from SN 1987A, but weak enough to avoid violating the bound from primordial nucleosynthesis.

Astrophysics and cosmology confront the 17-keV neutrino

NASA Technical Reports Server (NTRS)

Kolb, Edward W.; Turner, Michael S.

1991-01-01

A host of astrophysical and cosmological arguments severely constrain the properties of a 17 keV Dirac neutrino. Such a neutrino must have interactions beyond those of the standard electroweak theory to reduce its cosmic abundance (through decay or annihilation) by a factor of two hundred. A predicament arises because the additional helicity states of the neutrino necessary to construct a Dirac mass must have interactions strong enough to evade the astrophysical bound from SN 1987A, but weak enough to avoid violating the bound from primordial nucleosynthesis.

Structural Characterization of the Binding of Myosin*ADP*Pi to Actin in Permeabilized Rabbit Psoas Muscle

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

Xu,S.; Gu, J.; Belknap, B.

2006-01-01

When myosin is attached to actin in a muscle cell, various structures in the filaments are formed. The two strongly bound states (A{center_dot}M{center_dot}ADP and A{center_dot}M) and the weakly bound A{center_dot}M{center_dot}ATP states are reasonably well understood. The orientation of the strongly bound myosin heads is uniform ('stereospecific' attachment), and the attached heads exhibit little spatial fluctuation. In the prehydrolysis weakly bound A{center_dot}M{center_dot}ATP state, the orientations of the attached myosin heads assume a wide range of azimuthal and axial angles, indicating considerable flexibility in the myosin head. The structure of the other weakly bound state, A{center_dot}M{center_dot}ADP{center_dot}P{sub i}, however, is poorly understood. Thismore » state is thought to be the critical pre-power-stroke state, poised to make the transition to the strongly binding, force-generating states, and hence it is of particular interest for understanding the mechanism of contraction. However, because of the low affinity between myosin and actin in the A{center_dot}M{center_dot}ADP{center_dot}P{sub i} state, the structure of this state has eluded determination both in isolated form and in muscle cells. With the knowledge recently gained in the structures of the weakly binding M{center_dot}ATP, M{center_dot}ADP{center_dot}P{sub i} states and the weakly attached A{center_dot}M{center_dot}ATP state in muscle fibers, it is now feasible to delineate the in vivo structure of the attached state of A{center_dot}M{center_dot}ADP{center_dot}P{sub i}. The series of experiments presented in this article were carried out under relaxing conditions at 25{sup o}C, where {approx}95% of the myosin heads in the skinned rabbit psoas muscle contain the hydrolysis products. The affinity for actin is enhanced by adding polyethylene glycol (PEG) or by lowering the ionic strength in the bathing solution. Solution kinetics and binding constants were determined in the presence and in the absence of PEG. When the binding between actin and myosin was increased, both the myosin layer lines and the actin layer lines increased in intensity, but the intensity profiles did not change. The configuration (mode) of attachment in the A{center_dot}M{center_dot}ADP{center_dot}P{sub i} state is thus unique among the intermediate attached states of the cross-bridge ATP hydrolysis cycle. One of the simplest explanations is that both myosin filaments and actin filaments are stabilized (e.g., undergo reduced spatial fluctuations) by the attachment. The alignment of the myosin heads in the thick filaments and the alignment of the actin monomers in the thin filaments are improved as a result. The compact atomic structure of M{center_dot}ADP{center_dot}P{sub i} with strongly coupled domains may contribute to the unique attachment configuration: the 'primed' myosin heads may function as 'transient struts' when attached to the thin filaments.« less

A novel complex networks clustering algorithm based on the core influence of nodes.

PubMed

Tong, Chao; Niu, Jianwei; Dai, Bin; Xie, Zhongyu

2014-01-01

In complex networks, cluster structure, identified by the heterogeneity of nodes, has become a common and important topological property. Network clustering methods are thus significant for the study of complex networks. Currently, many typical clustering algorithms have some weakness like inaccuracy and slow convergence. In this paper, we propose a clustering algorithm by calculating the core influence of nodes. The clustering process is a simulation of the process of cluster formation in sociology. The algorithm detects the nodes with core influence through their betweenness centrality, and builds the cluster's core structure by discriminant functions. Next, the algorithm gets the final cluster structure after clustering the rest of the nodes in the network by optimizing method. Experiments on different datasets show that the clustering accuracy of this algorithm is superior to the classical clustering algorithm (Fast-Newman algorithm). It clusters faster and plays a positive role in revealing the real cluster structure of complex networks precisely.

Lithology-dependent minimum horizontal stress and in-situ stress estimate

NASA Astrophysics Data System (ADS)

Zhang, Yushuai; Zhang, Jincai

2017-04-01

Based on the generalized Hooke's law with coupling stresses and pore pressure, the minimum horizontal stress is solved with assumption that the vertical, minimum and maximum horizontal stresses are in equilibrium in the subsurface formations. From this derivation, we find that the uniaxial strain method is the minimum value or lower bound of the minimum stress. Using Anderson's faulting theory and this lower bound of the minimum horizontal stress, the coefficient of friction of the fault is derived. It shows that the coefficient of friction may have a much smaller value than what it is commonly assumed (e.g., μf = 0.6-0.7) for in-situ stress estimate. Using the derived coefficient of friction, an improved stress polygon is drawn, which can reduce the uncertainty of in-situ stress calculation by narrowing the area of the conventional stress polygon. It also shows that the coefficient of friction of the fault is dependent on lithology. For example, if the formation in the fault is composed of weak shales, then the coefficient of friction of the fault may be small (as low as μf = 0.2). This implies that this fault is weaker and more likely to have shear failures than the fault composed of sandstones. To avoid the weak fault from shear sliding, it needs to have a higher minimum stress and a lower shear stress. That is, the critically stressed weak fault maintains a higher minimum stress, which explains why a low shear stress appears in the frictionally weak fault.

Distinctive Spectral Features of Exciton and Excimer States in the Ultrafast Electronic Deactivation of the Adenine Dinucleotide

NASA Astrophysics Data System (ADS)

Stuhldreier, Mayra C.; Röttger, Katharina; Temps, Friedrich

We report the observation by transient absorption spectroscopy of distinctive spectro-temporal signatures of delocalized exciton versus relaxed, weakly bound excimer states in the ultrafast electronic deactivation after UV photoexcitation of the adenine dinucleotide.

Harmonic force spectroscopy reveals a force-velocity curve from a single human beta cardiac myosin motor

NASA Astrophysics Data System (ADS)

Sung, Jongmin; Nag, Suman; Vestergaard, Christian; Mortensen, Kim; Flyvbjerg, Henrik; Spudich, James

2014-03-01

A muscle contracts rapidly under low load, but slowly under high load. Its molecular mechanisms remain to be elucidated, however. During contraction, myosins in thick filaments interact with actin in thin filaments in the sarcomere, cycling between a strongly bound (force producing) state and a weakly bound (relaxed) state. Huxley et al. have previously proposed that the transition from the strong to the weak interaction can be modulated by a load. We use a new method we call ``harmonic force spectroscopy'' to extract a load-velocity curve from a single human beta cardiac myosin II motor. With a dual-beam optical trap, we hold an actin dumbbell over a myosin molecule anchored to the microscope stage that oscillates sinusoidally. Upon binding, the motor experiences an oscillatory load with a mean that is directed forward or backward, depending on binding location We find that the bound time at saturating [ATP] is exponentially correlated with the mean load, which is explained by Arrhenius transition theory. With a stroke size measurement, we obtained a load-velocity curve from a single myosin. We compare the curves for wild-type motors with mutants that cause hypertrophic cardiomyopathies, to understand the effects on the contractile cycle

Searching for massive clusters in weak lensing surveys

NASA Astrophysics Data System (ADS)

Hamana, Takashi; Takada, Masahiro; Yoshida, Naoki

2004-05-01

We explore the ability of weak lensing surveys to locate massive clusters. We use both analytic models of dark matter haloes and mock weak lensing surveys generated from a large cosmological N-body simulation. The analytic models describe the average properties of weak lensing haloes and predict the number counts, enabling us to compute an effective survey selection function. We argue that the detectability of massive haloes depends not only on the halo mass but also strongly on the redshift where the halo is located. We test the model prediction for the peak number counts in weak lensing mass maps against mock numerical data, and find that the noise resulting from intrinsic galaxy ellipticities causes a systematic effect which increases the peak counts. We develop a correction scheme for the systematic effect in an empirical manner, and show that, after correction, the model prediction agrees well with the mock data. The mock data is also used to examine the completeness and efficiency of the weak lensing halo search by fully taking into account the noise and the projection effect by large-scale structures. We show that the detection threshold of S/N = 4 ~ 5 gives an optimal balance between completeness and efficiency. Our results suggest that, for a weak lensing survey with a galaxy number density of ng= 30 arcmin-2 with a mean redshift of z= 1, the mean number of haloes which are expected to cause lensing signals above S/N = 4 is Nhalo(S/N > 4) = 37 per 10 deg2, whereas 23 of the haloes are actually detected with S/N > 4, giving the effective completeness as good as 63 per cent. Alternatively, the mean number of peaks in the same area is Npeak= 62 for a detection threshold of S/N = 4. Among the 62 peaks, 23 are caused by haloes with the expected peak height S/N > 4, 13 result from haloes with 3 < S/N < 4 and the remaining 26 peaks are either the false peaks caused by the noise or haloes with a lower expected peak height. Therefore the contamination rate is 44 per cent (this could be an overestimation). Weak lensing surveys thus provide a reasonably efficient way to search for massive clusters.

Initial Stage of Aerosol Formation from Oversaturated Vapors

NASA Astrophysics Data System (ADS)

Lushnikov, A. A.; Zagainov, V. A.; Lyubovtseva, Yu. S.

2018-03-01

The formation of aerosol particles from oversaturated vapor was considered assuming that the stable nuclei of the new phase contain two (dimers) or three (trimers) condensing vapor molecules. Exact expressions were derived and analyzed for the partition functions of the dimer and trimer suspended in a carrier gas for the rectangular well and repulsive core intermolecular potentials. The equilibrium properties of these clusters and the nucleation rate of aerosol particles were discussed. The bound states of clusters were introduced using a limitation on their total energy: molecular clusters with a negative total energy were considered to exclude configurations with noninteracting fragments.

Study of Clusters and Hypernuclei production within PHSD+FRIGA model

NASA Astrophysics Data System (ADS)

Kireyeu, V.; Le Fèvre, A.; Bratkovskaya, E.

2017-01-01

We report on the results on the dynamical modelling of cluster formation with the new combined PHSD+FRIGA model at Nuclotron and NICA energies. The FRIGA clusterisation algorithm, which can be applied to the transport models, is based on the simulated annealing technique to obtain the most bound configuration of fragments and nucleons. The PHSD+FRIGA model is able to predict isotope yields as well as hyper-nucleus production. Based on present predictions of the combined model we study the possibility to detect such clusters and hypernuclei in the BM@N and MPD/NICA detectors.

Synthetic modeling chemistry of iron-sulfur clusters in nitric oxide signaling.

PubMed

Fitzpatrick, Jessica; Kim, Eunsuk

2015-08-18

Nitric oxide (NO) is an important signaling molecule that is involved in many physiological and pathological functions. Iron-sulfur proteins are one of the main reaction targets for NO, and the [Fe-S] clusters within these proteins are converted to various iron nitrosyl species upon reaction with NO, of which dinitrosyl iron complexes (DNICs) are the most prevalent. Much progress has been made in identifying the origin of cellular DNIC generation. However, it is not well-understood which other products besides DNICs may form during [Fe-S] cluster degradation nor what effects DNICs and other degradation products can have once they are generated in cells. Even more elusive is an understanding of the manner by which cells cope with unwanted [Fe-S] modifications by NO. This Account describes our synthetic modeling efforts to identify cluster degradation products derived from the [2Fe-2S]/NO reaction in order to establish their chemical reactivity and repair chemistry. Our intent is to use the chemical knowledge that we generate to provide insight into the unknown biological consequences of cluster modification. Our recent advances in three different areas are described. First, new reaction conditions that lead to the formation of previously unrecognized products during the reaction of [Fe-S] clusters with NO are identified. Hydrogen sulfide (H2S), a gaseous signaling molecule, can be generated from the reaction between [2Fe-2S] clusters and NO in the presence of acid or formal H• (e(-)/H(+)) donors. In the presence of acid, a mononitrosyl iron complex (MNIC) can be produced as the major iron-containing product. Second, cysteine analogues can efficiently convert MNICs back to [2Fe-2S] clusters without the need for any other reagents. This reaction is possible for cysteine analogues because of their ability to labilize NO from MNICs and their capacity to undergo C-S bond cleavage, providing the necessary sulfide for [2Fe-2S] cluster formation. Lastly, unique dioxygen reactivity of various types of DNICs has been established. N-bound neutral {Fe(NO)2}(10) DNICs react with O2 to generate low-temperature stable peroxynitrite (ONOO(-)) species, which then carry out nitration chemistry in the presence of phenolic substrates, relevant to tyrosine nitration chemistry. The reaction between S-bound anionic {Fe(NO)2}(9) DNICs and O2 results in the formation of Roussin's red esters (RREs) and thiol oxidation products, chemistry that may be important in biological cysteine oxidation. The N-bound cationic {Fe(NO)2}(9) DNICs can spontaneously release NO, and this property can be utilized in developing a new class of NO-donating agents with anti-inflammatory activity.

Gravitational Lensing Corrections in Flat ΛCDM Cosmology

NASA Astrophysics Data System (ADS)

Kantowski, Ronald; Chen, Bin; Dai, Xinyu

2010-08-01

We compute the deflection angle to order (m/r 0)2 and m/r 0 × Λr 2 0 for a light ray traveling in a flat ΛCDM cosmology that encounters a completely condensed mass region. We use a Swiss cheese model for the inhomogeneities and find that the most significant correction to the Einstein angle occurs not because of the nonlinear terms but instead occurs because the condensed mass is embedded in a background cosmology. The Swiss cheese model predicts a decrease in the deflection angle of ~2% for weakly lensed galaxies behind the rich cluster A1689 and that the reduction can be as large as ~5% for similar rich clusters at z ≈ 1. Weak-lensing deflection angles caused by galaxies can likewise be reduced by as much as ~4%. We show that the lowest order correction in which Λ appears is proportional to m/r_0× √{Λ r_0^2}}} and could cause as much as a ~0.02% increase in the deflection angle for light that passes through a rich cluster. The lowest order nonlinear correction in the mass is proportional to m/r_0× √{m/r_0} and can increase the deflection angle by ~0.005% for weak lensing by galaxies.

Reaction dynamics studies for the system 7Be+58Ni

NASA Astrophysics Data System (ADS)

Torresi, D.; Mazzocco, M.; Acosta, L.; Boiano, A.; Boiano, C.; Diaz-Torres, A.; Fierro, N.; Glodariu, T.; Grilj, L.; Guglielmetti, A.; Keeley, N.; La Commara, M.; Martel, I.; Mazzocchi, C.; Molini, P.; Pakou, A.; Parascandolo, C.; Parkar, V. V.; Patronis, N.; Pierroutsakou, D.; Romoli, M.; Rusek, K.; Sanchez-Benitez, A. M.; Sandoli, M.; Signorini, C.; Silvestri, R.; Soramel, F.; Stiliaris, E.; Strano, E.; Stroe, L.; Zerva, K.

2015-04-01

The study of reactions induced by exotic weakly bound nuclei at energies around the Coulomb barrier had attracted a large interest in the last decade, since the features of these nuclei can deeply affect the reaction dynamics. The discrimination between different reaction mechanisms is, in general, a rather difficult task. It can be achieved by using detector arrays covering high solid angle and with high granularity that allow to measure the reaction products and, possibly, coincidences between them, as, for example, recently done for stable weakly bound nuclei [1, 2]. We investigated the collision of the weakly bound nucleus 7Be on a 58Ni target at the beam energy of 1.1 times the Coulomb barrier, measuring the elastic scattering angular distribution and the energy and angular distributions of 3He and 4He. The 7Be radioactive ion beam was produced by the facility EXOTIC at INFN-LNL with an energy of 22 MeV and an intensity of ~3×105 pps. Results showed that the 4He yeld is about 4 times larger than 3He yield, suggesting that reaction mechanisms other than the break-up mostly produce the He isotopes. Theoretical calculations for transfer channels and compound nucleus reactions suggest that complete fusion accounts for (41±5%) of the total reaction cross section extracted from optical model analysis of the elastic scattering data, and that 3He and 4He stripping are the most populated reaction channels among direct processes. Eventually estimation of incomplete fusion contributions to the 3,4He production cross sections was performed through semi-classical calculations with the code PLATYPUS [3].

Strong and weak plasma response to dietary carotenoids identified by cluster analysis and linked to beta-carotene 15,15'-monooxygenase 1 single nucleotide polymorphisms

USDA-ARS?s Scientific Manuscript database

The mechanisms as well the genetics underlying bioavailability and metabolism of carotenoids in humans remains unclear. The individual temporal response of plasma carotenoids was analyzed in adults who consumed carotenoid-containing juices on a controlled-diet study using cluster analysis. Treatmen...

Phylogenetic and Functional Structure of Wintering Waterbird Communities Associated with Ecological Differences.

PubMed

Che, Xianli; Zhang, Min; Zhao, Yanyan; Zhang, Qiang; Quan, Qing; Møller, Anders; Zou, Fasheng

2018-01-19

Ecological differences may be related to community component divisions between Oriental (west) and Sino-Japanese (east) realms, and such differences may result in weak geographical breaks in migratory species that are highly mobile. Here, we conducted comparative phylogenetic and functional structure analyses of wintering waterbird communities in southern China across two realms and subsequently examined possible climate drivers of the observed patterns. An analysis based on such highly migratory species is particularly telling because migration is bound to reduce or completely eliminate any divergence between communities. Phylogenetic and functional structure of eastern communities showed over-dispersion while western communities were clustered. Basal phylogenetic and functional turnover of western communities was significant lower than that of eastern communities. The break between eastern and western communities was masked by these two realms. Geographic patterns were related to mean temperature changes and temperature fluctuations, suggesting that temperature may filter waterbird lineages and traits, thus underlying geographical community divisions. These results suggest phylogenetic and functional divisions in southern China, coinciding with biogeography. This study shows that temperature fluctuations constitute an essential mechanism shaping geographical divisions that have largely gone undetected previously, even under climate change.

A Review of Subsequence Time Series Clustering

PubMed Central

Teh, Ying Wah

2014-01-01

Clustering of subsequence time series remains an open issue in time series clustering. Subsequence time series clustering is used in different fields, such as e-commerce, outlier detection, speech recognition, biological systems, DNA recognition, and text mining. One of the useful fields in the domain of subsequence time series clustering is pattern recognition. To improve this field, a sequence of time series data is used. This paper reviews some definitions and backgrounds related to subsequence time series clustering. The categorization of the literature reviews is divided into three groups: preproof, interproof, and postproof period. Moreover, various state-of-the-art approaches in performing subsequence time series clustering are discussed under each of the following categories. The strengths and weaknesses of the employed methods are evaluated as potential issues for future studies. PMID:25140332

A review of subsequence time series clustering.

PubMed

Zolhavarieh, Seyedjamal; Aghabozorgi, Saeed; Teh, Ying Wah

2014-01-01

Clustering of subsequence time series remains an open issue in time series clustering. Subsequence time series clustering is used in different fields, such as e-commerce, outlier detection, speech recognition, biological systems, DNA recognition, and text mining. One of the useful fields in the domain of subsequence time series clustering is pattern recognition. To improve this field, a sequence of time series data is used. This paper reviews some definitions and backgrounds related to subsequence time series clustering. The categorization of the literature reviews is divided into three groups: preproof, interproof, and postproof period. Moreover, various state-of-the-art approaches in performing subsequence time series clustering are discussed under each of the following categories. The strengths and weaknesses of the employed methods are evaluated as potential issues for future studies.

Theory of the vortex-clustering transition in a confined two-dimensional quantum fluid

NASA Astrophysics Data System (ADS)

Yu, Xiaoquan; Billam, Thomas P.; Nian, Jun; Reeves, Matthew T.; Bradley, Ashton S.

2016-08-01

Clustering of like-sign vortices in a planar bounded domain is known to occur at negative temperature, a phenomenon that Onsager demonstrated to be a consequence of bounded phase space. In a confined superfluid, quantized vortices can support such an ordered phase, provided they evolve as an almost isolated subsystem containing sufficient energy. A detailed theoretical understanding of the statistical mechanics of such states thus requires a microcanonical approach. Here we develop an analytical theory of the vortex clustering transition in a neutral system of quantum vortices confined to a two-dimensional disk geometry, within the microcanonical ensemble. The choice of ensemble is essential for identifying the correct thermodynamic limit of the system, enabling a rigorous description of clustering in the language of critical phenomena. As the system energy increases above a critical value, the system develops global order via the emergence of a macroscopic dipole structure from the homogeneous phase of vortices, spontaneously breaking the Z2 symmetry associated with invariance under vortex circulation exchange, and the rotational SO (2 ) symmetry due to the disk geometry. The dipole structure emerges characterized by the continuous growth of the macroscopic dipole moment which serves as a global order parameter, resembling a continuous phase transition. The critical temperature of the transition, and the critical exponent associated with the dipole moment, are obtained exactly within mean-field theory. The clustering transition is shown to be distinct from the final state reached at high energy, known as supercondensation. The dipole moment develops via two macroscopic vortex clusters and the cluster locations are found analytically, both near the clustering transition and in the supercondensation limit. The microcanonical theory shows excellent agreement with Monte Carlo simulations, and signatures of the transition are apparent even for a modest system of 100 vortices, accessible in current Bose-Einstein condensate experiments.

T7 RNA Polymerase Functions In Vitro without Clustering

PubMed Central

Finan, Kieran; Torella, Joseph P.; Kapanidis, Achillefs N.; Cook, Peter R.

2012-01-01

Many nucleic acid polymerases function in clusters known as factories. We investigate whether the RNA polymerase (RNAP) of phage T7 also clusters when active. Using ‘pulldowns’ and fluorescence correlation spectroscopy we find that elongation complexes do not interact in vitro with a Kd<1 µM. Chromosome conformation capture also reveals that genes located 100 kb apart on the E. coli chromosome do not associate more frequently when transcribed by T7 RNAP. We conclude that if clustering does occur in vivo, it must be driven by weak interactions, or mediated by a phage-encoded protein. PMID:22768341

Concepts of nuclear α-particle condensation

NASA Astrophysics Data System (ADS)

Funaki, Y.; Horiuchi, H.; von Oertzen, W.; Röpke, G.; Schuck, P.; Tohsaki, A.; Yamada, T.

2009-12-01

Certain aspects of the recently proposed antisymmetrized α-particle product state wave function, or THSR (Tohsaki-Horiuchi-Schuck-Röpke) α-cluster wave function, for the description of the ground state in Be8, the Hoyle state in C12, and analogous states in heavier nuclei are elaborated in detail. For instance, the influence of antisymmetrization in the Hoyle state on the bosonic character of the α particles is studied carefully. It is shown to be weak. Bosonic aspects in Hoyle and similar states in other self-conjugate nuclei are, therefore, predominant. Another issue is the de Broglie wavelength of α particles in the Hoyle state, which is shown to be much larger than the inter-α distance. It is pointed out that the bosonic features of low-density α gas states have measurable consequences, one of which, enhanced multi-α decay properties, has likely already been detected. Consistent with experiment, the width of the proposed analog to the Hoyle state in O16 at the excitation energy of Ex=15.1 MeV is estimated to be very small (34 keV), lending credit to the existence of heavier Hoyle-like states. The intrinsic single-boson density matrix of a self-bound Bose system can, under physically desirable boundary conditions, be defined unambiguously. One eigenvalue then separates out, being close to the number of α particles in the system. Differences between Brink and THSR α-cluster wave functions are worked out. No cluster model of the Brink type can describe the Hoyle state with a single configuration. On the contrary, many superpositions of the Brink type are necessary, implying delocalization toward an α-product state. It is shown that single α-particle orbits in condensates of different nuclei are almost the same. It is thus argued that α-particle (quartet) antisymmetrized product states of the THSR type are a very promising novel and useful concept in nuclear physics.

High Resolution Infrared Spectroscopy of Propargyl Alcohol-Water Complex Embedded in Helium Nanodroplets

NASA Astrophysics Data System (ADS)

Mani, Devendra; Pal, Nitish; Kaufmann, Matin; Schwaab, Gerhard; Havenith, Martina

2016-06-01

Propargyl alcohol (hereafter abbreviated as PA) is a molecule of astrophysical interest and has been probed extensively using microwave spectroscopy.1,2 It is a multifunctional molecule and offers multiple sites for hydrogen bonding interactions. Therefore, it has also attracted the attention of groups interested in weak intermolecular interactions. Recently, the Ar…PA complex3 and PA-dimer4 have been studied using microwave spectroscopy. More recently, there have been matrix-isolation infrared spectroscopic studies on PA-water5 and PA-acetylene6 complexes. In the present work, clusters of PA and water were formed in the helium nanodroplets and probed using a combination of infrared spectroscopy and mass spectrometry. Using ab-initio quantum mechanical calculations, PA-water clusters were optimised and five minimum structures were found on the potential energy hypersurface, which were used as a guidance to the experiments. We used D2O for the experiments since our laser sources at Bochum do not cover the IR spectral region of H2O. IR spectra of PA-D2O complex were recorded in the region of symmetric and antisymmetric stretches of the bound D2O. Multiple signals were found in these regions which were dependent on the concentration of PA as well as D2O. Using pickup curves most of these signals could be assigned to 1:1 PA:D2O clusters. The ab-initio calculations helped in a definitive assignment of the spectra to the different conformers of PA-D2O complex. The details will be presented in the talk. References: 1. E. Hirota, J. Mol. Spec. 26, 335 (1968). 2. J.C. Pearson and B.J. Drouin, J. Mol. Spectrosc. 234, 149 (2005). 3. D. Mani and E. Arunan, ChemPhysChem 14, 754 (2013). 4. D. Mani and E. Arunan, J. Chem. Phys. 141, 164311 (2014). 5. J. Saini, K.S. Vishwanathan, J. Mol. Struct. 1118, 147 (2016). 6. K. Sundararajan et al., J. Mol. Struct. 1121, 26 (2016).

Photoelectron spectroscopy of nitromethane anion clusters

NASA Astrophysics Data System (ADS)

Pruitt, Carrie Jo M.; Albury, Rachael M.; Goebbert, Daniel J.

2016-08-01

Nitromethane anion and nitromethane dimer, trimer, and hydrated cluster anions were studied by photoelectron spectroscopy. Vertical detachment energies, estimated electron affinities, and solvation energies were obtained from the photoelectron spectra. Cluster structures were investigated using theoretical calculations. Predicted detachment energies agreed with experiment. Calculations show water binds to nitromethane anion through two hydrogen bonds. The dimer has a non-linear structure with a single ionic Csbnd H⋯O hydrogen bond. The trimer has two different solvent interactions, but both involve the weak Csbnd H⋯O hydrogen bond.

Production of metal particles and clusters

NASA Technical Reports Server (NTRS)

Mcmanus, S. P.

1982-01-01

The feasibility of producing novel metals or metal clusters in a low gravity environment was studied. The production of coordinately unsaturated metal carbonyls by thermolysis or photolysis of stable metal carbonyls has the potential to generate novel catalysts by this technique. Laser irradiation of available metal carbonyls was investigated. It is found that laser induced decomposition of metal carbonyls is feasible for producing a variety of coordinately unsaturated species. Formation of clustered species does occur but is hampered by weak metal-metal bonds.

ΛGR Centennial: Cosmic Web in Dark Energy Background

NASA Astrophysics Data System (ADS)

Chernin, A. D.

The basic building blocks of the Cosmic Web are groups and clusters of galaxies, super-clusters (pancakes) and filaments embedded in the universal dark energy background. The background produces antigravity, and the antigravity effect is strong in groups, clusters and superclusters. Antigravity is very weak in filaments where matter (dark matter and baryons) produces gravity dominating in the filament internal dynamics. Gravity-antigravity interplay on the large scales is a grandiose phenomenon predicted by ΛGR theory and seen in modern observations of the Cosmic Web.

Salmon theology: Return to traditional reasoning

Treesearch

Joseph Clair

2007-01-01

When beauty and utility are divorced in the loss of wonder, beauty begins to perish. Salmon go extinct. The fragility of beauty is the fragility of wilderness. It does not perish due to weakness but from the generosity and vulnerability that are bound up with its usefulness.

Multi-site binding of epigallocatechin gallate to human serum albumin measured by NMR and isothermal titration calorimetry

PubMed Central

Eaton, Joshua D.

2017-01-01

The affinity of epigallocatechin gallate (EGCG) for human serum albumin (HSA) was measured in physiological conditions using NMR and isothermal titration calorimetry (ITC). NMR estimated the Ka (self-dissociation constant) of EGCG as 50 mM. NMR showed two binding events: strong (n1=1.8 ± 0.2; Kd1 =19 ± 12 μM) and weak (n2∼20; Kd2 =40 ± 20 mM). ITC also showed two binding events: strong (n1=2.5 ± 0.03; Kd1 =21.6 ± 4.0 μM) and weak (n2=9 ± 1; Kd2 =22 ± 4 mM). The two techniques are consistent, with an unexpectedly high number of bound EGCG. The strong binding is consistent with binding in the two Sudlow pockets. These results imply that almost all EGCG is transported in the blood bound to albumin and explains the wide tissue distribution and chemical stability of EGCG in vivo. PMID:28424370

8B + 208Pb Elastic Scattering at Coulomb Barrier Energies

NASA Astrophysics Data System (ADS)

La Commara, M.; Mazzocco, M.; Boiano, A.; Boiano, C.; Manea, C.; Parascandolo, C.; Pierroutsakou, D.; Signorini, C.; Strano, E.; Torresi, D.; Yamaguchi, H.; Kahl, D.; Di Meo, P.; Grebosz, J.; Imai, N.; Hirayama, Y.; Ishiyama, H.; Iwasa, N.; Jeong, S. C.; Jia, H. M.; Kim, Y. H.; Kimura, S.; Kubono, S.; Lin, C. J.; Miyatake, H.; Mukai, M.; Nakao, T.; Nicoletto, M.; Sakaguchi, Y.; Sánchez-Benítez, A. M.; Soramel, F.; Teranishi, T.; Wakabayashi, Y.; Watanabe, Y. X.; Yang, L.; Yang, Y. Y.

2018-02-01

The scattering process of weakly-bound nuclei at Coulomb barrier energies provides deep insights on the reaction dynamics induced by exotic nuclei. Within this framework, we measured for the first time the scattering process of the short-lived Radioactive Ion Beam (RIB) 8B (Sp = 0.1375 MeV) from a 208Pb target at 50 MeV beam energy. The 8B RIB was produced by means of the in-flight facility CRIB (RIKEN, Japan) with an average intensity on target of 10 kHz and a purity about 25%. Elastically scattering ions were detected in the angular range θc.m. = 10°-160° by means of the detector array EXPADES. A preliminary optical model analysis indicates a total reaction cross section of about 1 b, a value, once reduced, 2-3 times larger than those obtained for the reactions induced by the stable weakly-bound projectiles 6,7Li on a 208Pb target in the energy range around the Coulomb barrier.

8B + 208Pb Elastic Scattering at Coulomb Barrier Energies

NASA Astrophysics Data System (ADS)

La Commara, M.; Mazzocco, M.; Boiano, A.; Boiano, C.; Manea, C.; Parascandolo, C.; Pierroutsakou, D.; Signorini, C.; Strano, E.; Torresi, D.; Yamaguchi, H.; Kahl, D.; Di Meo, P.; Grebosz, J.; Imai, N.; Hirayama, Y.; Ishiyama, H.; Iwasa, N.; Jeong, S. C.; Jia, H. M.; Kim, Y. H.; Kimura, S.; Kubono, S.; Lin, C. J.; Miyatake, H.; Mukai, M.; Nakao, T.; Nicoletto, M.; Sakaguchi, Y.; Sánchez-Benítez, A. M.; Soramel, F.; Teranishi, T.; Wakabayashi, Y.; Watanabe, Y. X.; Yang, L.; Yang, Y. Y.

2017-11-01

The scattering process of weakly-bound nuclei at Coulomb barrier energies provides deep insights on the reaction dynamics induced by exotic nuclei. Within this framework, we measured for the first time the scattering process of the short-lived Radioactive Ion Beam (RIB) 8B (S p = 0.1375 MeV) from a 208Pb target at 50 MeV beam energy. The 8B RIB was produced by means of the in-flight facility CRIB (RIKEN, Japan) with an average intensity on target of 10 kHz and a purity about 25%. Elastically scattering ions were detected in the angular range θc.m. = 10°-160° by means of the detector array EXPADES. A preliminary optical model analysis indicates a total reaction cross section of about 1 b, a value, once reduced, 2-3 times larger than those obtained for the reactions induced by the stable weakly-bound projectiles 6,7Li on a 208Pb target in the energy range around the Coulomb barrier.

Mechanistic Insight into Nanoparticle Surface Adsorption by Solution NMR Spectroscopy in an Aqueous Gel

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

Egner, Timothy K.; Naik, Pranjali; Nelson, Nicholas C.

Engineering nanoparticle (NP) functions at the molecular level requires a detailed understanding of the dynamic processes occurring at the NP surface. Herein we show that a combination of dark-state exchange saturation transfer (DEST) and relaxation dispersion (RD) NMR experiments on gel-stabilized NP samples enables the accurate determination of the kinetics and thermodynamics of adsorption. We used the former approach to describe the interaction of cholic acid (CA) and phenol (PhOH) with ceria NPs with a diameter of approximately 200 nm. Whereas CA formed weak interactions with the NPs, PhOH was tightly bound to the NP surface. Interestingly, we found thatmore » the adsorption of PhOH proceeds via an intermediate, weakly bound state in which the small molecule has residual degrees of rotational diffusion. Here we believe the use of aqueous gels for stabilizing NP samples will increase the applicability of solution NMR methods to the characterization of nanomaterials.« less

Mechanistic Insight into Nanoparticle Surface Adsorption by Solution NMR Spectroscopy in an Aqueous Gel

DOE PAGES

Egner, Timothy K.; Naik, Pranjali; Nelson, Nicholas C.; ...

2017-06-22

Engineering nanoparticle (NP) functions at the molecular level requires a detailed understanding of the dynamic processes occurring at the NP surface. Herein we show that a combination of dark-state exchange saturation transfer (DEST) and relaxation dispersion (RD) NMR experiments on gel-stabilized NP samples enables the accurate determination of the kinetics and thermodynamics of adsorption. We used the former approach to describe the interaction of cholic acid (CA) and phenol (PhOH) with ceria NPs with a diameter of approximately 200 nm. Whereas CA formed weak interactions with the NPs, PhOH was tightly bound to the NP surface. Interestingly, we found thatmore » the adsorption of PhOH proceeds via an intermediate, weakly bound state in which the small molecule has residual degrees of rotational diffusion. Here we believe the use of aqueous gels for stabilizing NP samples will increase the applicability of solution NMR methods to the characterization of nanomaterials.« less

Energy transfer studies in krypton-xenon mixtures excited in a cooled DC discharge

NASA Astrophysics Data System (ADS)

Krylov, B.; Gerasimov, G.; Morozov, A.; Arnesen, A.; Hallin, R.; Heijkenskjold, F.

2000-01-01

The VUV spectrum of gaseous mixtures of krypton with a small amount of xenon added was investigated in the range 115-200 nm. The mixtures were excited in a capillary DC discharge where the capillary could be cooled by using liquid nitrogen. The mixed molecule band around the Xe I resonance line at λ = 147 nm and the mixed molecule continuum to the long wavelength side from the line were analysed. The band around λ = 147 nm was identified as transitions between a weakly bound excited state and the weakly bound ground state of XeKr molecules. When cooling the capillary wall, the appearance of the Xe2 continuum was observed. The effect is ascribed to energy transfer between molecular states as a consequence of radiation trapping in the band around λ = 147 nm. The role of the mixed molecule in the formation of the VUV spectrum of the gas mixture is discussed and underlined.

The Energy Measure for the Euler and Navier-Stokes Equations

NASA Astrophysics Data System (ADS)

Leslie, Trevor M.; Shvydkoy, Roman

2018-04-01

The potential failure of energy equality for a solution u of the Euler or Navier-Stokes equations can be quantified using a so-called `energy measure': the weak-* limit of the measures {|u(t)|^2dx} as t approaches the first possible blowup time. We show that membership of u in certain (weak or strong) {L^q L^p} classes gives a uniform lower bound on the lower local dimension of E ; more precisely, it implies uniform boundedness of a certain upper s-density of E . We also define and give lower bounds on the `concentration dimension' associated to E , which is the Hausdorff dimension of the smallest set on which energy can concentrate. Both the lower local dimension and the concentration dimension of E measure the departure from energy equality. As an application of our estimates, we prove that any solution to the 3-dimensional Navier-Stokes Equations which is Type-I in time must satisfy the energy equality at the first blowup time.

STABILITY OF SMALL SELF-INTERSTITIAL CLUSTERS IN TUNGSTEN

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

Setyawan, Wahyu; Nandipati, Giridhar; Kurtz, Richard J.

2015-12-31

Density functional theory was employed to explore the stability of interstitial clusters in W up to size seven. For each cluster size, the most stable configuration consists of parallel dumbbells. For clusters larger than size three, parallel dumbbells prefer to form in a multilayer fashion, instead of a planar structure. For size-7 clusters, the most stable configuration is a complete octahedron. The binding energy of a [111] dumbbell to the most stable cluster increases with cluster size, namely 2.49, 3.68, 4.76, 4.82, 5.47, and 6.85 eV for clusters of size 1, 2, 3, 4, 5, and 6, respectively. For amore » size-2 cluster, collinear dumbbells are still repulsive at the maximum allowable distance of 13.8 Å (the fifth neighbor along [111]). On the other hand, parallel dumbbells are strongly bound together. Two parallel dumbbells in which the axis-to-axis distance is within a cylindrical radius of 5.2 Å still exhibit a considerable binding of 0.28 eV. The most stable cluster in each size will be used to explore interactions with transmutation products.« less

The persistence of directivity in small earthquakes

USGS Publications Warehouse

Boatwright, J.

2007-01-01

We derive a simple inversion of peak ground acceleration (PGA) or peak ground velocity (PGV) for rupture direction and rupture velocity and then test this inversion on the peak motions obtained from seven 3.5 ??? M ??? 4.1 earthquakes that occurred in two clusters in November 2002 and February 2003 near San Ramon, California. These clusters were located on two orthogonal strike-slip faults so that the events share the same approximate focal mechanism but not the same fault plane. Three earthquakes exhibit strong directivity, but the other four earthquakes exhibit relatively weak directivity. We use the residual PGAs and PGVs from the other six events to determine station corrections for each earthquake. The inferred rupture directions unambiguously identify the fault plane for the three earthquakes with strong directivity and for three of the four earthquakes with weak directivity. The events with strong directivity have fast rupture velocities (0.63????? v ??? 0.87??); the events with weak directivity either rupture more slowly (0.17????? v ???0.35??) or bilaterally. The simple unilateral inversion cannot distinguish between slow and bilateral ruptures: adding a bilateral rupture component degrades the fit of the rupture directions to the fault planes. By comparing PGAs from the events with strong and weak directivity, we show how an up-dip rupture in small events can distort the attenuation of peak ground motion with distance. When we compare the rupture directions of the earthquakes to the location of aftershocks in the two clusters, we find than almost all the aftershocks of the three earthquakes with strong directivity occur within 70?? of the direction of rupture.

Highly Charged Rydberg Ions from the Coulomb Explosion of Clusters

NASA Astrophysics Data System (ADS)

Komar, D.; Kazak, L.; Almassarani, M.; Meiwes-Broer, K.-H.; Tiggesbäumker, J.

2018-03-01

Ion emission from a nanoplasma produced in the interaction of intense optical laser pulses with argon clusters is studied resolving simultaneously charge states and recoil energies. By applying appropriate static electric fields we observe that a significant fraction of the ions Arq + (q =1 - 7 ) has electrons with binding energies lower than 150 meV; i.e., nRyd≥15 levels are populated. Charge state changes observed on a μ s time scale can be attributed to electron emission due to autoionizing Rydberg states, indicating that high-ℓ Rydberg levels are populated as well. The experiments support theoretical predictions that a significant fraction of delocalized electrons, which are bound with hundreds of eV to the nanoplasma after the laser exposure, fill up meV bound ion states in the adiabatic expansion. We expect the process to be relevant for the long-term evolution of expanding laser-induced dense plasmas in general.

Enhancing PC Cluster-Based Parallel Branch-and-Bound Algorithms for the Graph Coloring Problem

NASA Astrophysics Data System (ADS)

Taoka, Satoshi; Takafuji, Daisuke; Watanabe, Toshimasa

A branch-and-bound algorithm (BB for short) is the most general technique to deal with various combinatorial optimization problems. Even if it is used, computation time is likely to increase exponentially. So we consider its parallelization to reduce it. It has been reported that the computation time of a parallel BB heavily depends upon node-variable selection strategies. And, in case of a parallel BB, it is also necessary to prevent increase in communication time. So, it is important to pay attention to how many and what kind of nodes are to be transferred (called sending-node selection strategy). In this paper, for the graph coloring problem, we propose some sending-node selection strategies for a parallel BB algorithm by adopting MPI for parallelization and experimentally evaluate how these strategies affect computation time of a parallel BB on a PC cluster network.

Light {xi} hypernuclei in four-body cluster models

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

Hiyama, E.; Yamamoto, Y.; Motoba, T.

Detailed structure calculations in {sub {xi}{sup -}}{sup 12}Be, {sub {xi}{sup -}}{sup 5}H, {sub {xi}{sup -}}{sup 9}Li, {sub {xi}{sup -}}{sup 7}H, and {sub {xi}{sup -}}{sup 10}Li are performed within the framework of the microscopic two-, three-, and four-body cluster models using the Gaussian expansion method. We adopted effective {xi}N interactions derived from the Nijmegen interaction models, which give rise to substantially attractive {xi}-nucleus potentials in accordance with the experimental indications. {sub {xi}{sup -}}{sup 7}H and {sub {xi}{sup -}}{sup 10}Li are predicted to have bound states. we propose to observe the bound states in future (K{sup -},K{sup +}) experiments using {sup 7}Limore » and {sup 10}B targets in addition to the standard {sup 12}C target. The experimental confirmation of these states will provide information on the spin- and isospin-averaged {xi}N interaction.« less

Transfer of energy in Camassa-Holm and related models by use of nonunique characteristics

NASA Astrophysics Data System (ADS)

Jamróz, Grzegorz

2017-02-01

We study the propagation of energy density in finite-energy weak solutions of the Camassa-Holm and related equations. Developing the methods based on generalized nonunique characteristics, we show that the parts of energy related to positive and negative slopes are one-sided weakly continuous and of bounded variation, which allows us to define certain measures of dissipation of both parts of energy. The result is a step towards the open problem of uniqueness of dissipative solutions of the Camassa-Holm equation.

Looping and clustering model for the organization of protein-DNA complexes on the bacterial genome

NASA Astrophysics Data System (ADS)

Walter, Jean-Charles; Walliser, Nils-Ole; David, Gabriel; Dorignac, Jérôme; Geniet, Frédéric; Palmeri, John; Parmeggiani, Andrea; Wingreen, Ned S.; Broedersz, Chase P.

2018-03-01

The bacterial genome is organized by a variety of associated proteins inside a structure called the nucleoid. These proteins can form complexes on DNA that play a central role in various biological processes, including chromosome segregation. A prominent example is the large ParB-DNA complex, which forms an essential component of the segregation machinery in many bacteria. ChIP-Seq experiments show that ParB proteins localize around centromere-like parS sites on the DNA to which ParB binds specifically, and spreads from there over large sections of the chromosome. Recent theoretical and experimental studies suggest that DNA-bound ParB proteins can interact with each other to condense into a coherent 3D complex on the DNA. However, the structural organization of this protein-DNA complex remains unclear, and a predictive quantitative theory for the distribution of ParB proteins on DNA is lacking. Here, we propose the looping and clustering model, which employs a statistical physics approach to describe protein-DNA complexes. The looping and clustering model accounts for the extrusion of DNA loops from a cluster of interacting DNA-bound proteins that is organized around a single high-affinity binding site. Conceptually, the structure of the protein-DNA complex is determined by a competition between attractive protein interactions and loop closure entropy of this protein-DNA cluster on the one hand, and the positional entropy for placing loops within the cluster on the other. Indeed, we show that the protein interaction strength determines the ‘tightness’ of the loopy protein-DNA complex. Thus, our model provides a theoretical framework for quantitatively computing the binding profiles of ParB-like proteins around a cognate (parS) binding site.

A common origin for globular clusters and ultra-faint dwarfs in simulations of the first galaxies

DOE PAGES

Ricotti, Massimo; Parry, Owen H.; Gnedin, Nickolay Y.

2016-11-09

In this study, the first in a series on galaxy formation before reionization, we focus on understanding what determines the size and morphology of stellar objects in the first low-mass galaxies, using parsec-scale cosmological simulations performed with an adaptive mesh hydrodynamics code. Although the dense gas in which stars are formed tends to have a disk structure, stars are found in spheroids with little rotation. Halos with masses betweenmore » $${10}^{6}\\,{M}_{\\odot }$$ and $$5\\times {10}^{8}\\,{M}_{\\odot }$$ form stars stochastically, with stellar masses in the range $${10}^{4}\\,{M}_{\\odot }$$ to $$2\\times {10}^{6}\\,{M}_{\\odot }$$. We observe, nearly independent of stellar mass, a large range of half-light radii for the stars, from a few parsecs to a few hundred parsecs and surface brightnesses and mass-to-light ratios ranging from those typical of globular clusters to ultra-faint dwarfs. In our simulations, stars form in dense stellar clusters with high gas-to-star conversion efficiencies and rather uniform metallicities. A fraction of these clusters remain bound after the gas is removed by feedback, but others are destroyed, and their stars, which typically have velocity dispersions of 20–40 km s –1, expand until they become bound by the dark matter halo. We thus speculate that the stars in ultra-faint dwarf galaxies may show kinematic and chemical signatures consistent with their origin in a few distinct stellar clusters. On the other hand, some globular clusters may form at the center of primordial dwarf galaxies and may contain dark matter, perhaps detectable in the outer parts.« less

A common origin for globular clusters and ultra-faint dwarfs in simulations of the first galaxies

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

Ricotti, Massimo; Parry, Owen H.; Gnedin, Nickolay Y.

In this study, the first in a series on galaxy formation before reionization, we focus on understanding what determines the size and morphology of stellar objects in the first low-mass galaxies, using parsec-scale cosmological simulations performed with an adaptive mesh hydrodynamics code. Although the dense gas in which stars are formed tends to have a disk structure, stars are found in spheroids with little rotation. Halos with masses betweenmore » $${10}^{6}\\,{M}_{\\odot }$$ and $$5\\times {10}^{8}\\,{M}_{\\odot }$$ form stars stochastically, with stellar masses in the range $${10}^{4}\\,{M}_{\\odot }$$ to $$2\\times {10}^{6}\\,{M}_{\\odot }$$. We observe, nearly independent of stellar mass, a large range of half-light radii for the stars, from a few parsecs to a few hundred parsecs and surface brightnesses and mass-to-light ratios ranging from those typical of globular clusters to ultra-faint dwarfs. In our simulations, stars form in dense stellar clusters with high gas-to-star conversion efficiencies and rather uniform metallicities. A fraction of these clusters remain bound after the gas is removed by feedback, but others are destroyed, and their stars, which typically have velocity dispersions of 20–40 km s –1, expand until they become bound by the dark matter halo. We thus speculate that the stars in ultra-faint dwarf galaxies may show kinematic and chemical signatures consistent with their origin in a few distinct stellar clusters. On the other hand, some globular clusters may form at the center of primordial dwarf galaxies and may contain dark matter, perhaps detectable in the outer parts.« less

Weak Lensing Peaks in Simulated Light-Cones: Investigating the Coupling between Dark Matter and Dark Energy

NASA Astrophysics Data System (ADS)

Giocoli, Carlo; Moscardini, Lauro; Baldi, Marco; Meneghetti, Massimo; Metcalf, Robert B.

2018-05-01

In this paper, we study the statistical properties of weak lensing peaks in light-cones generated from cosmological simulations. In order to assess the prospects of such observable as a cosmological probe, we consider simulations that include interacting Dark Energy (hereafter DE) models with coupling term between DE and Dark Matter. Cosmological models that produce a larger population of massive clusters have more numerous high signal-to-noise peaks; among models with comparable numbers of clusters those with more concentrated haloes produce more peaks. The most extreme model under investigation shows a difference in peak counts of about 20% with respect to the reference ΛCDM model. We find that peak statistics can be used to distinguish a coupling DE model from a reference one with the same power spectrum normalisation. The differences in the expansion history and the growth rate of structure formation are reflected in their halo counts, non-linear scale features and, through them, in the properties of the lensing peaks. For a source redshift distribution consistent with the expectations of future space-based wide field surveys, we find that typically seventy percent of the cluster population contributes to weak-lensing peaks with signal-to-noise ratios larger than two, and that the fraction of clusters in peaks approaches one-hundred percent for haloes with redshift z ≤ 0.5. Our analysis demonstrates that peak statistics are an important tool for disentangling DE models by accurately tracing the structure formation processes as a function of the cosmic time.

WEAK LENSING MEASUREMENT OF GALAXY CLUSTERS IN THE CFHTLS-WIDE SURVEY

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

Shan Huanyuan; Tao Charling; Kneib, Jean-Paul

2012-03-20

We present the first weak gravitational lensing analysis of the completed Canada-France-Hawaii Telescope Legacy Survey (CFHTLS). We study the 64 deg{sup 2} W1 field, the largest of the CFHTLS-Wide survey fields, and present the largest contiguous weak lensing convergence 'mass map' yet made. 2.66 million galaxy shapes are measured, using the Kaiser Squires and Broadhurst Method (KSB) pipeline verified against high-resolution Hubble Space Telescope imaging that covers part of the CFHTLS. Our i'-band measurements are also consistent with an analysis of independent r'-band imaging. The reconstructed lensing convergence map contains 301 peaks with signal-to-noise ratio {nu} > 3.5, consistent withmore » predictions of a {Lambda}CDM model. Of these peaks, 126 lie within 3.'0 of a brightest central galaxy identified from multicolor optical imaging in an independent, red sequence survey. We also identify seven counterparts for massive clusters previously seen in X-ray emission within 6 deg{sup 2} XMM-LSS survey. With photometric redshift estimates for the source galaxies, we use a tomographic lensing method to fit the redshift and mass of each convergence peak. Matching these to the optical observations, we confirm 85 groups/clusters with {chi}{sup 2}{sub reduced} < 3.0, at a mean redshift (z{sub c} ) = 0.36 and velocity dispersion ({sigma}{sub c}) = 658.8 km s{sup -1}. Future surveys, such as DES, LSST, KDUST, and EUCLID, will be able to apply these techniques to map clusters in much larger volumes and thus tightly constrain cosmological models.« less

Near-IR MCD of the nonheme ferrous active site in naphthalene 1,2-dioxygenase: correlation to crystallography and structural insight into the mechanism of Rieske dioxygenases.

PubMed

Ohta, Takehiro; Chakrabarty, Sarmistha; Lipscomb, John D; Solomon, Edward I

2008-02-06

Near-IR MCD and variable temperature, variable field (VTVH) MCD have been applied to naphthalene 1,2-dioxygenase (NDO) to describe the coordination geometry and electronic structure of the mononuclear nonheme ferrous catalytic site in the resting and substrate-bound forms with the Rieske 2Fe2S cluster oxidized and reduced. The structural results are correlated with the crystallographic studies of NDO and other related Rieske nonheme iron oxygenases to develop molecular level insights into the structure/function correlation for this class of enzymes. The MCD data for resting NDO with the Rieske center oxidized indicate the presence of a six-coordinate high-spin ferrous site with a weak axial ligand which becomes more tightly coordinated when the Rieske center is reduced. Binding of naphthalene to resting NDO (Rieske oxidized and reduced) converts the six-coordinate sites into five-coordinate (5c) sites with elimination of a water ligand. In the Rieske oxidized form the 5c sites are square pyramidal but transform to a 1:2 mixture of trigonal bipyramial/square pyramidal sites when the Rieske center is reduced. Thus the geometric and electronic structure of the catalytic site in the presence of substrate can be significantly affected by the redox state of the Rieske center. The catalytic ferrous site is primed for the O2 reaction when substrate is bound in the active site in the presence of the reduced Rieske site. These structural changes ensure that two electrons and the substrate are present before the binding and activation of O2, which avoids the uncontrolled formation and release of reactive oxygen species.

Synchronous parallel spatially resolved stochastic cluster dynamics

DOE PAGES

Dunn, Aaron; Dingreville, Rémi; Martínez, Enrique; ...

2016-04-23

In this work, a spatially resolved stochastic cluster dynamics (SRSCD) model for radiation damage accumulation in metals is implemented using a synchronous parallel kinetic Monte Carlo algorithm. The parallel algorithm is shown to significantly increase the size of representative volumes achievable in SRSCD simulations of radiation damage accumulation. Additionally, weak scaling performance of the method is tested in two cases: (1) an idealized case of Frenkel pair diffusion and annihilation, and (2) a characteristic example problem including defect cluster formation and growth in α-Fe. For the latter case, weak scaling is tested using both Frenkel pair and displacement cascade damage.more » To improve scaling of simulations with cascade damage, an explicit cascade implantation scheme is developed for cases in which fast-moving defects are created in displacement cascades. For the first time, simulation of radiation damage accumulation in nanopolycrystals can be achieved with a three dimensional rendition of the microstructure, allowing demonstration of the effect of grain size on defect accumulation in Frenkel pair-irradiated α-Fe.« less

Cluster mass profile reconstruction with size and flux magnification on the HST STAGES survey.

PubMed

Duncan, Christopher A J; Heymans, Catherine; Heavens, Alan F; Joachimi, Benjamin

2016-03-21

We present the first measurement of individual cluster mass estimates using weak lensing size and flux magnification. Using data from the HST STAGES (Space Telescope A901/902 Galaxy Evolution Survey) survey of the A901/902 supercluster we detect the four known groups in the supercluster at high significance using magnification alone. We discuss the application of a fully Bayesian inference analysis, and investigate a broad range of potential systematics in the application of the method. We compare our results to a previous weak lensing shear analysis of the same field finding the recovered signal-to-noise of our magnification-only analysis to range from 45 to 110 per cent of the signal-to-noise in the shear-only analysis. On a case-by-case basis we find consistent magnification and shear constraints on cluster virial radius, and finding that for the full sample, magnification constraints to be a factor 0.77 ± 0.18 lower than the shear measurements.

ICE-COLA: fast simulations for weak lensing observables

NASA Astrophysics Data System (ADS)

Izard, Albert; Fosalba, Pablo; Crocce, Martin

2018-01-01

Approximate methods to full N-body simulations provide a fast and accurate solution to the development of mock catalogues for the modelling of galaxy clustering observables. In this paper we extend ICE-COLA, based on an optimized implementation of the approximate COLA method, to produce weak lensing maps and halo catalogues in the light-cone using an integrated and self-consistent approach. We show that despite the approximate dynamics, the catalogues thus produced enable an accurate modelling of weak lensing observables one decade beyond the characteristic scale where the growth becomes non-linear. In particular, we compare ICE-COLA to the MICE Grand Challenge N-body simulation for some fiducial cases representative of upcoming surveys and find that, for sources at redshift z = 1, their convergence power spectra agree to within 1 per cent up to high multipoles (i.e. of order 1000). The corresponding shear two point functions, ξ+ and ξ-, yield similar accuracy down to 2 and 20 arcmin respectively, while tangential shear around a z = 0.5 lens sample is accurate down to 4 arcmin. We show that such accuracy is stable against an increased angular resolution of the weak lensing maps. Hence, this opens the possibility of using approximate methods for the joint modelling of galaxy clustering and weak lensing observables and their covariance in ongoing and future galaxy surveys.

Exact hierarchical clustering in one dimension. [in universe

NASA Technical Reports Server (NTRS)

Williams, B. G.; Heavens, A. F.; Peacock, J. A.; Shandarin, S. F.

1991-01-01

The present adhesion model-based one-dimensional simulations of gravitational clustering have yielded bound-object catalogs applicable in tests of analytical approaches to cosmological structure formation. Attention is given to Press-Schechter (1974) type functions, as well as to their density peak-theory modifications and the two-point correlation function estimated from peak theory. The extent to which individual collapsed-object locations can be predicted by linear theory is significant only for objects of near-characteristic nonlinear mass.

The sensitivity of harassment to orbit: mass loss from early-type dwarfs in galaxy clusters

NASA Astrophysics Data System (ADS)

Smith, R.; Sánchez-Janssen, R.; Beasley, M. A.; Candlish, G. N.; Gibson, B. K.; Puzia, T. H.; Janz, J.; Knebe, A.; Aguerri, J. A. L.; Lisker, T.; Hensler, G.; Fellhauer, M.; Ferrarese, L.; Yi, S. K.

2015-12-01

We conduct a comprehensive numerical study of the orbital dependence of harassment on early-type dwarfs consisting of 168 different orbits within a realistic, Virgo-like cluster, varying in eccentricity and pericentre distance. We find harassment is only effective at stripping stars or truncating their stellar discs for orbits that enter deep into the cluster core. Comparing to the orbital distribution in cosmological simulations, we find that the majority of the orbits (more than three quarters) result in no stellar mass loss. We also study the effects on the radial profiles of the globular cluster systems of early-type dwarfs. We find these are significantly altered only if harassment is very strong. This suggests that perhaps most early-type dwarfs in clusters such as Virgo have not suffered any tidal stripping of stars or globular clusters due to harassment, as these components are safely embedded deep within their dark matter halo. We demonstrate that this result is actually consistent with an earlier study of harassment of dwarf galaxies, despite the apparent contradiction. Those few dwarf models that do suffer stellar stripping are found out to the virial radius of the cluster at redshift = 0, which mixes them in with less strongly harassed galaxies. However when placed on phase-space diagrams, strongly harassed galaxies are found offset to lower velocities compared to weakly harassed galaxies. This remains true in a cosmological simulation, even when haloes have a wide range of masses and concentrations. Thus phase-space diagrams may be a useful tool for determining the relative likelihood that galaxies have been strongly or weakly harassed.

Cluster mass calibration at high redshift: HST weak lensing analysis of 13 distant galaxy clusters from the South Pole Telescope Sunyaev-Zel'dovich Survey

NASA Astrophysics Data System (ADS)

Schrabback, T.; Applegate, D.; Dietrich, J. P.; Hoekstra, H.; Bocquet, S.; Gonzalez, A. H.; von der Linden, A.; McDonald, M.; Morrison, C. B.; Raihan, S. F.; Allen, S. W.; Bayliss, M.; Benson, B. A.; Bleem, L. E.; Chiu, I.; Desai, S.; Foley, R. J.; de Haan, T.; High, F. W.; Hilbert, S.; Mantz, A. B.; Massey, R.; Mohr, J.; Reichardt, C. L.; Saro, A.; Simon, P.; Stern, C.; Stubbs, C. W.; Zenteno, A.

2018-02-01

We present an HST/Advanced Camera for Surveys (ACS) weak gravitational lensing analysis of 13 massive high-redshift (zmedian = 0.88) galaxy clusters discovered in the South Pole Telescope (SPT) Sunyaev-Zel'dovich Survey. This study is part of a larger campaign that aims to robustly calibrate mass-observable scaling relations over a wide range in redshift to enable improved cosmological constraints from the SPT cluster sample. We introduce new strategies to ensure that systematics in the lensing analysis do not degrade constraints on cluster scaling relations significantly. First, we efficiently remove cluster members from the source sample by selecting very blue galaxies in V - I colour. Our estimate of the source redshift distribution is based on Cosmic Assembly Near-infrared Deep Extragalactic Legacy Survey (CANDELS) data, where we carefully mimic the source selection criteria of the cluster fields. We apply a statistical correction for systematic photometric redshift errors as derived from Hubble Ultra Deep Field data and verified through spatial cross-correlations. We account for the impact of lensing magnification on the source redshift distribution, finding that this is particularly relevant for shallower surveys. Finally, we account for biases in the mass modelling caused by miscentring and uncertainties in the concentration-mass relation using simulations. In combination with temperature estimates from Chandra we constrain the normalization of the mass-temperature scaling relation ln (E(z)M500c/1014 M⊙) = A + 1.5ln (kT/7.2 keV) to A=1.81^{+0.24}_{-0.14}(stat.) {± } 0.09(sys.), consistent with self-similar redshift evolution when compared to lower redshift samples. Additionally, the lensing data constrain the average concentration of the clusters to c_200c=5.6^{+3.7}_{-1.8}.

Cluster Mass Calibration at High Redshift: HST Weak Lensing Analysis of 13 Distant Galaxy Clusters from the South Pole Telescope Sunyaev-Zel'dovich Survey

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

Schrabback, T.; et al.

We present an HST/ACS weak gravitational lensing analysis of 13 massive high-redshift (z_median=0.88) galaxy clusters discovered in the South Pole Telescope (SPT) Sunyaev-Zel'dovich Survey. This study is part of a larger campaign that aims to robustly calibrate mass-observable scaling relations over a wide range in redshift to enable improved cosmological constraints from the SPT cluster sample. We introduce new strategies to ensure that systematics in the lensing analysis do not degrade constraints on cluster scaling relations significantly. First, we efficiently remove cluster members from the source sample by selecting very blue galaxies in V-I colour. Our estimate of the sourcemore » redshift distribution is based on CANDELS data, where we carefully mimic the source selection criteria of the cluster fields. We apply a statistical correction for systematic photometric redshift errors as derived from Hubble Ultra Deep Field data and verified through spatial cross-correlations. We account for the impact of lensing magnification on the source redshift distribution, finding that this is particularly relevant for shallower surveys. Finally, we account for biases in the mass modelling caused by miscentring and uncertainties in the mass-concentration relation using simulations. In combination with temperature estimates from Chandra we constrain the normalisation of the mass-temperature scaling relation ln(E(z) M_500c/10^14 M_sun)=A+1.5 ln(kT/7.2keV) to A=1.81^{+0.24}_{-0.14}(stat.) +/- 0.09(sys.), consistent with self-similar redshift evolution when compared to lower redshift samples. Additionally, the lensing data constrain the average concentration of the clusters to c_200c=5.6^{+3.7}_{-1.8}.« less

Ionization-induced star formation - IV. Triggering in bound clusters

NASA Astrophysics Data System (ADS)

Dale, J. E.; Ercolano, B.; Bonnell, I. A.

2012-12-01

We present a detailed study of star formation occurring in bound star-forming clouds under the influence of internal ionizing feedback from massive stars across a spectrum of cloud properties. We infer which objects are triggered by comparing our feedback simulations with control simulations in which no feedback was present. We find that feedback always results in a lower star formation efficiency and usually but not always results in a larger number of stars or clusters. Cluster mass functions are not strongly affected by feedback, but stellar mass functions are biased towards lower masses. Ionization also affects the geometrical distribution of stars in ways that are robust against projection effects, but may make the stellar associations more or less subclustered depending on the background cloud environment. We observe a prominent pillar in one simulation which is the remains of an accretion flow feeding the central ionizing cluster of its host cloud and suggest that this may be a general formation mechanism for pillars such as those observed in M16. We find that the association of stars with structures in the gas such as shells or pillars is a good but by no means foolproof indication that those stars have been triggered and we conclude overall that it is very difficult to deduce which objects have been induced to form and which formed spontaneously simply from observing the system at a single time.

Weak Lensing by Galaxy Clusters: from Pixels to Cosmology

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

Gruen, Daniel

The story of the origin and evolution of our Universe is told, equivalently, by space-time itself and by the structures that grow inside of it. Clusters of galaxies are the frontier of bottom-up structure formation. They are the most massive objects to have collapsed at the present epoch. By that virtue, their abundance and structural parameters are highly sensitive to the composition and evolution of the Universe. The most common probe of cluster cosmology, abundance, uses samples of clusters selected by some observable. Applying a mass-observable relation (MOR), cosmological parameters can be constrained by comparing the sample to predicted clustermore » abundances as a function of observable and redshift. Arguably, however, cluster probes have not yet entered the era of per cent level precision cosmology. The primary reason for this is our imperfect understanding of the MORs. The overall normalization, the slope of mass vs. observable, the redshift evolution, and the degree and correlation of intrinsic scatters of observables at fixed mass have to be constrained for interpreting abundances correctly. Mass measurement of clusters by means of the differential deflection of light from background sources in their gravitational field, i.e. weak lensing, is a powerful approach for achieving this. This thesis presents new methods for and scientific results of weak lensing measurements of clusters of galaxies. The former include, on the data reduction side, (i) the correction of CCD images for non-linear effects due to the electric fields of accumulated charges and (ii) a method for masking artifact features in sets of overlapping images of the sky by comparison to the median image. Also, (iii) I develop a method for the selection of background galaxy samples based on their color and apparent magnitude that includes a new correction for contamination with cluster member galaxies. The main scientific results are the following. (i) For the Hubble Frontier Field cluster RXC J2248.7--4431 our lensing analysis constrains mass and concentration of the cluster halo and we confirm the large mass predicted by X-ray and Sunyaev-Zel’dovich (SZ) observations. The study of cluster members shows the relation of galaxy morphology to luminosity and environment. (ii) Our lensing mass measurements for 12 clusters are consistent with X-ray masses derived under the assumption of hydrostatic equilibrium of the intra-cluster gas. We confirm the MORs derived by the South Pole Telescope collaboration for the detection significance of the cluster SZ signal in their survey. We find discrepancies, however, with the Planck SZ MOR. We hypothesize that these are related either to a shallower slope of the MOR or a size-, redshift- or noise-dependent bias in SZ signal extraction. (iii) Finally, using a combination of simulations and theoretical models for the variation of cluster profiles at fixed mass, we find that the latter is a significant contribution to the uncertainty of cluster lensing mass measurements. A cosmic variance model, such as the one we develop, is necessary for MOR constraints to be accurate at the level required for future surveys.« less

Membership determination of open clusters based on a spectral clustering method

NASA Astrophysics Data System (ADS)

Gao, Xin-Hua

2018-06-01

We present a spectral clustering (SC) method aimed at segregating reliable members of open clusters in multi-dimensional space. The SC method is a non-parametric clustering technique that performs cluster division using eigenvectors of the similarity matrix; no prior knowledge of the clusters is required. This method is more flexible in dealing with multi-dimensional data compared to other methods of membership determination. We use this method to segregate the cluster members of five open clusters (Hyades, Coma Ber, Pleiades, Praesepe, and NGC 188) in five-dimensional space; fairly clean cluster members are obtained. We find that the SC method can capture a small number of cluster members (weak signal) from a large number of field stars (heavy noise). Based on these cluster members, we compute the mean proper motions and distances for the Hyades, Coma Ber, Pleiades, and Praesepe clusters, and our results are in general quite consistent with the results derived by other authors. The test results indicate that the SC method is highly suitable for segregating cluster members of open clusters based on high-precision multi-dimensional astrometric data such as Gaia data.

A new Be star in an open cluster - NGC 6871-8

NASA Technical Reports Server (NTRS)

Grigsby, James A.; Morrison, Nancy D.

1988-01-01

Spectroscopic observations of H-alpha show that star eight in the open cluster NGC 6871 is a previously-undiscovered Be star. The H-alpha profile was observed to vary from clear emission to pure absorption over a period of ten days; later observations over a five-day interval show weak emission along with asymmetries and filling in of the profile.

Analysis of ligand-protein exchange by Clustering of Ligand Diffusion Coefficient Pairs (CoLD-CoP).

PubMed

Snyder, David A; Chantova, Mihaela; Chaudhry, Saadia

2015-06-01

NMR spectroscopy is a powerful tool in describing protein structures and protein activity for pharmaceutical and biochemical development. This study describes a method to determine weak binding ligands in biological systems by using hierarchic diffusion coefficient clustering of multidimensional data obtained with a 400 MHz Bruker NMR. Comparison of DOSY spectrums of ligands of the chemical library in the presence and absence of target proteins show translational diffusion rates for small molecules upon interaction with macromolecules. For weak binders such as compounds found in fragment libraries, changes in diffusion rates upon macromolecular binding are on the order of the precision of DOSY diffusion measurements, and identifying such subtle shifts in diffusion requires careful statistical analysis. The "CoLD-CoP" (Clustering of Ligand Diffusion Coefficient Pairs) method presented here uses SAHN clustering to identify protein-binders in a chemical library or even a not fully characterized metabolite mixture. We will show how DOSY NMR and the "CoLD-CoP" method complement each other in identifying the most suitable candidates for lysozyme and wheat germ acid phosphatase. Copyright © 2015 Elsevier Inc. All rights reserved.

From "Weak" to "Strong" Multifunctionality: Conceptualising Farm-Level Multifunctional Transitional Pathways

ERIC Educational Resources Information Center

Wilson, Geoff A.

2008-01-01

Building on normative conceptualisations of multifunctionality as a decision-making spectrum bounded by productivist and non-productivist action and thought, this paper analyses farm-level multifunctional agricultural transitions. First, the paper suggests that it may be possible to categorise different farm types along the…

Partial stabilisation of non-homogeneous bilinear systems

NASA Astrophysics Data System (ADS)

Hamidi, Z.; Ouzahra, M.

2018-06-01

In this work, we study in a Hilbert state space, the partial stabilisation of non-homogeneous bilinear systems using a bounded control. Necessary and sufficient conditions for weak and strong stabilisation are formulated in term of approximate observability like assumptions. Applications to parabolic and hyperbolic equations are presented.

Classical calculation of the equilibrium constants for true bound dimers using complete potential energy surface.

PubMed

Buryak, Ilya; Vigasin, Andrey A

2015-12-21

The present paper aims at deriving classical expressions which permit calculation of the equilibrium constant for weakly interacting molecular pairs using a complete multidimensional potential energy surface. The latter is often available nowadays as a result of the more and more sophisticated and accurate ab initio calculations. The water dimer formation is considered as an example. It is shown that even in case of a rather strongly bound dimer the suggested expression permits obtaining quite reliable estimate for the equilibrium constant. The reliability of our obtained water dimer equilibrium constant is briefly discussed by comparison with the available data based on experimental observations, quantum calculations, and the use of RRHO approximation, provided the latter is restricted to formation of true bound states only.

Classical calculation of the equilibrium constants for true bound dimers using complete potential energy surface

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

Buryak, Ilya; Vigasin, Andrey A., E-mail: vigasin@ifaran.ru

The present paper aims at deriving classical expressions which permit calculation of the equilibrium constant for weakly interacting molecular pairs using a complete multidimensional potential energy surface. The latter is often available nowadays as a result of the more and more sophisticated and accurate ab initio calculations. The water dimer formation is considered as an example. It is shown that even in case of a rather strongly bound dimer the suggested expression permits obtaining quite reliable estimate for the equilibrium constant. The reliability of our obtained water dimer equilibrium constant is briefly discussed by comparison with the available data basedmore » on experimental observations, quantum calculations, and the use of RRHO approximation, provided the latter is restricted to formation of true bound states only.« less

Potential estimates for the p-Laplace system with data in divergence form

NASA Astrophysics Data System (ADS)

Cianchi, A.; Schwarzacher, S.

2018-07-01

A pointwise bound for local weak solutions to the p-Laplace system is established in terms of data on the right-hand side in divergence form. The relevant bound involves a Havin-Maz'ya-Wolff potential of the datum, and is a counterpart for data in divergence form of a classical result of [25], recently extended to systems in [28]. A local bound for oscillations is also provided. These results allow for a unified approach to regularity estimates for broad classes of norms, including Banach function norms (e.g. Lebesgue, Lorentz and Orlicz norms), and norms depending on the oscillation of functions (e.g. Hölder, BMO and, more generally, Campanato type norms). In particular, new regularity properties are exhibited, and well-known results are easily recovered.

Wigner's quantum phase-space current in weakly-anharmonic weakly-excited two-state systems

NASA Astrophysics Data System (ADS)

Kakofengitis, Dimitris; Steuernagel, Ole

2017-09-01

There are no phase-space trajectories for anharmonic quantum systems, but Wigner's phase-space representation of quantum mechanics features Wigner current J . This current reveals fine details of quantum dynamics —finer than is ordinarily thought accessible according to quantum folklore invoking Heisenberg's uncertainty principle. Here, we focus on the simplest, most intuitive, and analytically accessible aspects of J. We investigate features of J for bound states of time-reversible, weakly-anharmonic one-dimensional quantum-mechanical systems which are weakly-excited. We establish that weakly-anharmonic potentials can be grouped into three distinct classes: hard, soft, and odd potentials. We stress connections between each other and the harmonic case. We show that their Wigner current fieldline patterns can be characterised by J's discrete stagnation points, how these arise and how a quantum system's dynamics is constrained by the stagnation points' topological charge conservation. We additionally show that quantum dynamics in phase space, in the case of vanishing Planck constant ℏ or vanishing anharmonicity, does not pointwise converge to classical dynamics.

Regularity gradient estimates for weak solutions of singular quasi-linear parabolic equations

NASA Astrophysics Data System (ADS)

Phan, Tuoc

2017-12-01

This paper studies the Sobolev regularity for weak solutions of a class of singular quasi-linear parabolic problems of the form ut -div [ A (x , t , u , ∇u) ] =div [ F ] with homogeneous Dirichlet boundary conditions over bounded spatial domains. Our main focus is on the case that the vector coefficients A are discontinuous and singular in (x , t)-variables, and dependent on the solution u. Global and interior weighted W 1 , p (ΩT , ω)-regularity estimates are established for weak solutions of these equations, where ω is a weight function in some Muckenhoupt class of weights. The results obtained are even new for linear equations, and for ω = 1, because of the singularity of the coefficients in (x , t)-variables.

Global, finite energy, weak solutions for the NLS with rough, time-dependent magnetic potentials

NASA Astrophysics Data System (ADS)

Antonelli, Paolo; Michelangeli, Alessandro; Scandone, Raffaele

2018-04-01

We prove the existence of weak solutions in the space of energy for a class of nonlinear Schrödinger equations in the presence of a external, rough, time-dependent magnetic potential. Under our assumptions, it is not possible to study the problem by means of usual arguments like resolvent techniques or Fourier integral operators, for example. We use a parabolic regularisation, and we solve the approximating Cauchy problem. This is achieved by obtaining suitable smoothing estimates for the dissipative evolution. The total mass and energy bounds allow to extend the solution globally in time. We then infer sufficient compactness properties in order to produce a global-in-time finite energy weak solution to our original problem.

On irregularities of distribution of real sequences

PubMed Central

Chung, F. R. K.; Graham, R. L.

1981-01-01

A natural measure of the amount of unavoidable clustering that must occur in any bounded infinite sequence of real numbers is studied. We determine the extreme value for this measure and exhibit sequences that achieve this value. PMID:16593046

Spectroscopic and Computational Investigations of Ligand Binding to IspH: Discovery of Non-diphosphate Inhibitors

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

O'Dowd, Bing; Williams, Sarah; Wang, Hongxin

Isoprenoid biosynthesis is an important area for anti-infective drug development. One isoprenoid target described is (E)-1-hydroxy-2-methyl-but-2-enyl 4-diphosphate (HMBPP) reductase (IspH), which forms isopentenyl diphosphate and dimethylallyl diphosphate from HMBPP in a 2H + /2e - reduction. IspH contains a 4 Fe-4 S cluster, and in this work, we first investigated how small molecules bound to the cluster by using HYSCORE and NRVS spectroscopies. The results of these, as well as other structural and spectroscopic investigations, led to the conclusion that, in most cases, ligands bound to IspH 4 Fe-4 S clusters by η 1 coordination, forming tetrahedral geometries at themore » unique fourth Fe, ligand side chains preventing further ligand (e.g., H 2 O, O 2 ) binding. Based on these ideas, we used in silico methods to find drug-like inhibitors that might occupy the HMBPP substrate binding pocket and bind to Fe, leading to the discovery of a barbituric acid analogue with a K i value of ≈500 nm against Pseudomonas aeruginosa IspH.« less

Characterization of Glutaredoxin Fe-S Cluster-Binding Interactions Using Circular Dichroism Spectroscopy.

PubMed

Albetel, Angela-Nadia; Outten, Caryn E

2018-01-01

Monothiol glutaredoxins (Grxs) with a conserved Cys-Gly-Phe-Ser (CGFS) active site are iron-sulfur (Fe-S) cluster-binding proteins that interact with a variety of partner proteins and perform crucial roles in iron metabolism including Fe-S cluster transfer, Fe-S cluster repair, and iron signaling. Various analytical and spectroscopic methods are currently being used to monitor and characterize glutaredoxin Fe-S cluster-dependent interactions at the molecular level. The electronic, magnetic, and vibrational properties of the protein-bound Fe-S cluster provide a convenient handle to probe the structure, function, and coordination chemistry of Grx complexes. However, some limitations arise from sample preparation requirements, complexity of individual techniques, or the necessity for combining multiple methods in order to achieve a complete investigation. In this chapter, we focus on the use of UV-visible circular dichroism spectroscopy as a fast and simple initial approach for investigating glutaredoxin Fe-S cluster-dependent interactions. © 2018 Elsevier Inc. All rights reserved.

Localization of a bacterial cytoplasmic receptor is dynamic and changes with cell-cell contacts

PubMed Central

Mauriello, Emilia M. F.; Astling, David P.; Sliusarenko, Oleksii; Zusman, David R.

2009-01-01

Directional motility in the gliding bacterium Myxococcus xanthus requires controlled cell reversals mediated by the Frz chemosensory system. FrzCD, a cytoplasmic chemoreceptor, does not form membrane-bound polar clusters typical for most bacteria, but rather cytoplasmic clusters that appear helically arranged and span the cell length. The distribution of FrzCD in living cells was found to be dynamic: FrzCD was localized in clusters that continuously changed their size, number, and position. The number of FrzCD clusters was correlated with cellular reversal frequency: fewer clusters were observed in hypo-reversing mutants and additional clusters were observed in hyper-reversing mutants. When moving cells made side-to-side contacts, FrzCD clusters in adjacent cells showed transient alignments. These events were frequently followed by one of the interacting cells reversing. These observations suggest that FrzCD detects signals from a cell contact-sensitive signaling system and then re-localizes as it directs reversals to distributed motility engines. PMID:19273862

Gravitational lensing by clusters of galaxies - Constraining the mass distribution

NASA Technical Reports Server (NTRS)

Miralda-Escude, Jordi

1991-01-01

The possibility of placing constraints on the mass distribution of a cluster of galaxies by analyzing the cluster's gravitational lensing effect on the images of more distant galaxies is investigated theoretically in the limit of weak distortion. The steps in the proposed analysis are examined in detail, and it is concluded that detectable distortion can be produced by clusters with line-of-sight velocity dispersions of over 500 km/sec. Hence it should be possible to determine (1) the cluster center position (with accuracy equal to the mean separation of the background galaxies), (2) the cluster-potential quadrupole moment (to within about 20 percent of the total potential if velocity dispersion is 1000 km/sec), and (3) the power law for the outer-cluster density profile (if enough background galaxies in the surrounding region are observed).

Merging K-means with hierarchical clustering for identifying general-shaped groups.

PubMed

Peterson, Anna D; Ghosh, Arka P; Maitra, Ranjan

2018-01-01

Clustering partitions a dataset such that observations placed together in a group are similar but different from those in other groups. Hierarchical and K -means clustering are two approaches but have different strengths and weaknesses. For instance, hierarchical clustering identifies groups in a tree-like structure but suffers from computational complexity in large datasets while K -means clustering is efficient but designed to identify homogeneous spherically-shaped clusters. We present a hybrid non-parametric clustering approach that amalgamates the two methods to identify general-shaped clusters and that can be applied to larger datasets. Specifically, we first partition the dataset into spherical groups using K -means. We next merge these groups using hierarchical methods with a data-driven distance measure as a stopping criterion. Our proposal has the potential to reveal groups with general shapes and structure in a dataset. We demonstrate good performance on several simulated and real datasets.