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531 result(s) for "Asphericity"
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Direct prediction of intrinsically disordered protein conformational properties from sequence
Intrinsically disordered regions (IDRs) are ubiquitous across all domains of life and play a range of functional roles. While folded domains are generally well described by a stable three-dimensional structure, IDRs exist in a collection of interconverting states known as an ensemble. This structural heterogeneity means that IDRs are largely absent from the Protein Data Bank, contributing to a lack of computational approaches to predict ensemble conformational properties from sequence. Here we combine rational sequence design, large-scale molecular simulations and deep learning to develop ALBATROSS, a deep-learning model for predicting ensemble dimensions of IDRs, including the radius of gyration, end-to-end distance, polymer-scaling exponent and ensemble asphericity, directly from sequences at a proteome-wide scale. ALBATROSS is lightweight, easy to use and accessible as both a locally installable software package and a point-and-click-style interface via Google Colab notebooks. We first demonstrate the applicability of our predictors by examining the generalizability of sequence–ensemble relationships in IDRs. Then, we leverage the high-throughput nature of ALBATROSS to characterize the sequence-specific biophysical behavior of IDRs within and between proteomes. ALBATROSS is a deep-learning-based model for predicting ensemble properties of intrinsically disordered proteins and protein regions, such as radius of gyration, end-to-end distance, polymer-scaling exponent and ensemble asphericity, directly from sequences.
On One Application of Asphericity of Presentations
I present a direct proof of Lemma 3(a) from O. V. Kulikova's work on torsion in the group \\(F/[M,N]\\), using only Proposition 1.2 of Chiswell-Collins-Huebschmann on combinatorially aspherical presentations. In particular, I show that if two presentations satisfy the RC condition and are combinatorially aspherical, then the quotient \\(N/[F,N]\\) is free abelian on the defining relators and central in \\(F/[F,N]\\), whence the extension \\(F/[M,N]\\) is torsion-free.
Photometry of Outer Solar System Objects from the Dark Energy Survey. II. A Joint Analysis of Trans-Neptunian Absolute Magnitudes, Colors, Light Curves and Dynamics
For the 696 trans-Neptunian objects (TNOs) with absolute magnitudes 5.5 < Hr < 8.2 detected in the Dark Energy Survey, we characterize the relationships between their dynamical state and physical properties—namely Hr, indicating size; colors, indicating surface composition; and flux variation semiamplitude A, indicating asphericity and surface inhomogeneity. We seek “birth” physical distributions that can recreate these parameters in every dynamical class. We show that the observed colors of these TNOs are consistent with two Gaussian distributions in griz space, “near-infrared bright” (NIRB) and “near-infrared faint” (NIRF), presumably an inner and outer birth population, respectively. We find a model in which both the NIRB and NIRF Hr and A distributions are independent of current dynamical states, supporting their assignment as birth populations. All objects are consistent with a common rolling p(Hr), but NIRF objects are significantly more variable. Cold classicals (CCs) are purely NIRF, while hot classical (HC), scattered, and detached TNOs are consistent with ≈ 70% NIRB and the resonance NIRB fractions show significant variation. The NIRB components of the HCs and of some resonances have broader inclination distributions than the NIRFs, i.e. their current dynamics retains information about birth location. We find evidence for radial stratification within the birth NIRB population, in that HC NIRBs are on average redder than detached or scattered NIRBs; a similar effect distinguishes CCs from other NIRFs. We estimate total object counts and masses of each class within our Hr range. These results will strongly constrain models of the outer solar system.
SN 2024aecx: A Fast-evolving Type IIb Supernova with a Prominent Shock-cooling Peak
SN 2024aecx is a nearby (∼11 Mpc) Type IIb SN discovered within ∼1 day after explosion. In this paper we report high-cadence photometric (typically 0.5 ∼ 1 day) and spectroscopic follow-up observations, conducted from as early as 0.27 day post discovery out to the nebular phase at 158.4 days. We analyze the environment of SN 2024aecx and derive a new distance (11.3 ± 1.1 Mpc), metallicity and host extinction. The light curve exhibits a hot and luminous shock-cooling peak at the first few days, followed by a main peak with very rapid postmaximum decline. The earliest spectra are blue and featureless, while from 2.3 days after discovery prominent P-Cygni profiles emerge. At nebular phase, the emission lines exhibit asymmetric and double-peaked profiles, indicating asphericity and/or early dust formation in the ejecta. Nebular spectral modelling indicates a blueshifted O-rich clump moving toward observer, and the [O i]/[Ca ii] line ratio suggests an intermediate-mass progenitor. We simulated the progenitor and explosion using a two-component model of shock cooling and radioactive 56Ni heating; our model favors an extended, low-mass H-rich envelope with Me = 0.04 ± 0.01 M⊙ and a low ejecta mass of Mej=1.55−0.14+0.18M⊙ . And the nebular-phase spectra and light-curve modelling both suggest that it most likely originated from an intermediate-mass binary progenitor system. The comprehensive monitoring of SN 2024aecx, coupled with the detailed characterization of its local environment, establishes it as a benchmark event for probing the progenitors and explosion mechanisms of Type IIb SNe.
Correlation of the Dzyaloshinskii–Moriya interaction with Heisenberg exchange and orbital asphericity
Chiral spin textures of a ferromagnetic layer in contact to a heavy non-magnetic metal, such as Néel-type domain walls and skyrmions, have been studied intensively because of their potential for future nanomagnetic devices. The Dyzaloshinskii–Moriya interaction (DMI) is an essential phenomenon for the formation of such chiral spin textures. In spite of recent theoretical progress aiming at understanding the microscopic origin of the DMI, an experimental investigation unravelling the physics at stake is still required. Here we experimentally demonstrate the close correlation of the DMI with the anisotropy of the orbital magnetic moment and with the magnetic dipole moment of the ferromagnetic metal in addition to Heisenberg exchange. The density functional theory and the tight-binding model calculations reveal that inversion symmetry breaking with spin–orbit coupling gives rise to the orbital-related correlation. Our study provides the experimental connection between the orbital physics and the spin–orbit-related phenomena, such as DMI. Dzyaloshinskii–Moriya interaction (DMI) is one of the key factors to control the chiral spin textures in spintronic applications. Here the authors demonstrate the correlation of the DMI with the anisotropy of the orbital magnetic moment and magnetic dipole moment in Pt/Co/MgO ultrathin trilayers.
Physical Conditions for Synthesis of Sc, Ti, and V in Neutrino-driven Supernovae
We present the results of simulations of nucleosynthesis in a core-collapse supernova including the neutrino process. Using the Si layer of a 13M⊙ zero-metal progenitor as the initial composition, we calculate the nucleosynthesis by adopting the temperature, density, neutrino flux, and duration of nucleosynthesis as arbitrary parameters and compare the results with the observed abundance ratios of Sc, Ti, and V in very-metal-poor (VMP) stars taken from the Stellar Abundances for Galactic Archaeology database. As a result, for the first time, we identify the quantitative requirements on local physical conditions. To reproduce the abundance ratios in the VMP stars, the explosive nucleosynthesis should take place under the neutrino exposure, which is the time integration of the neutrino flux, of σν ∼ 1035 erg cm−2 and temperature of 2.0 GK ≤ T ≤ 3.2 GK. The dependence on the density and each value of the neutrino flux and the duration of nucleosynthesis is weak. We also discuss whether the quantitative requirements are realized during the explosion. Although the requirements are difficult to realize in the one-dimensional simulations, the nonmonotonic thermal evolution shown in recent three-dimensional simulations may satisfy them. Because the evolution is likely caused by turbulent motion stemming from the initial asphericity of the progenitor, it is important to calculate the long-term three-dimensional supernova explosion of multidimensional metal-free progenitor models and follow the nucleosynthesis self-consistently.
Asphericity of the Base of the Solar Convection Zone
We have used solar oscillation frequencies and frequency splittings obtained over solar cycles 23 and 24 to investigate whether the base of the solar convection zone shows any departure from spherical symmetry. We used the even-order splitting coefficients, a 2–a 8, and estimated the contributions from each one separately. The average asphericity over the two solar cycles was determined using frequencies and splittings obtained with a 9216-day time series. We find that evidence of asphericity is, at best, marginal: the a 2 component is consistent with no asphericity, the a 4 and a 6 components yield results at a level a little greater than 1σ, while the a 8 component shows a signature below 1σ. The combined results indicate that the time average of the departure from the spherically symmetric position of the base of the convection zone is ≲0.0001R ⊙. We have also used helioseismic data obtained from time series of lengths of 360, 576, 1152, and 2304 days in order to examine the consistency of the results and evaluate whether there is any time variation. We find that the evidence for time variation is statistically marginal in all cases, except for the a 6 component, for which tests consistently yield p-values of less than 0.05.
Hydrodynamics and Nucleosynthesis of Jet-driven Supernovae. II. Comparisons with Abundances of Extremely Metal-poor Galaxies and Constraints on Supernova Progenitors
The spectra of several galaxies, including extremely metal-poor galaxies from EMPRESS, have shown that the abundances of some Si-group elements differ from “spherical” explosion models of massive stars. This leads to the speculation that these galaxies have experienced supernova explosions with high asphericity, where mixing and fallback of the inner ejecta with the outer material lead to the distinctive chemical compositions. In this paper, we consider the jet-driven supernova models by direct 2D hydrodynamics simulations using progenitors of about 20–25 M ⊙ at zero metallicity. We investigate how the abundance patterns depend on the progenitor mass, mass cut, and asphericity of the explosion. We compare the observable with available supernova and galaxy catalogs based on 56Ni, ejecta mass, and individual element ratios. The proximity of our results with the observational data signifies the importance of aspherical supernova explosions in chemical evolution of these galaxies. Our models will provide the theoretical counterpart for understanding the chemical abundances of high-z galaxies measured by the James Webb Space Telescope.
Explosions in Roche-lobe Distorted Stars: Relativistic Bullets in Binaries
State-of-the-art surveys reveal that most massive stars in the Universe evolve in close binaries. Massive stars in such systems are expected to develop aspherical envelopes due to tidal interactions and/or rotational effects. Recently, it was shown that point explosions in oblate stars can produce relativistic equatorial ring-like outflows. Moreover, since stripped-envelope stars in binaries can expand enough to fill their Roche lobes anew, it is likely that these stars die with a greater degree of asphericity than the oblate spheroid geometry previously studied. We investigate the effects of this asymmetry by studying the gas dynamics of axisymmetric point explosions in stars in various stages of filling their Roche lobes. We find that point explosions in these pear-shaped stars produce transrelativistic ejecta that coalesce into bullets pointed both toward and away from the binary companion. We present this result and comment on key morphological differences between core-collapse explosions in spherical versus distorted stars in binary systems, effects on gravitational wave sources, and observational signatures that could be used to glean these explosion geometries from current and future surveys.
Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in single-molecule magnets
The distribution of electrons in the 4f orbitals of lanthanide ions is often assigned a crucial role in the design of single-molecule magnets, which maintain magnetization in zero external field. Optimal spatial complementarity between the 4f-electron density and the ligand field is key to maximizing magnetic anisotropy, which is an important factor in the ability of lanthanide complexes to display single-molecule magnet behaviour. Here we have experimentally determined the electron density distribution in two dysprosium molecular complexes by interpreting high-resolution synchrotron X-ray diffraction with a multipole model. The ground-state 4f-electron density is found to be an oblate ellipsoid, as is often deduced from a simplified Sievers model that assumes a pure |±15/2> ground-state doublet for the lanthanide ion. The large equatorial asymmetry—determined by a model wavefunction—was found to contain considerable MJ mixing of |±11/2> and only 81% of |±15/2>. The experimental molecular magnetic easy axes were recovered, and found to deviate by 13.1° and 8.7° from those obtained by ab initio calculations.Gaining a better understanding of the complex electronic structure of single-molecule magnets is essential for their design and development. The 4f-electron density distribution of a dysprosium single-molecule magnet has now been experimentally determined using synchrotron diffraction data interpreted with a multipole model. The magnetic easy axes were recovered by analysis of the 4f-electron density shape, which is clearly oblate.