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At least 271 records · Page 15

Universality Classes of Interaction Structures for NK Fitness Landscapes

Kauffman’s NK-model is a paradigmatic example of a class of stochastic models of genotypic fitness landscapes that aim to capture generic features of epistatic interactions in multilocus systems. Genotypes are represented as sequences of L binary loci. The fitness assigned to a genotype is a sum of contributions, each of which is a random function defined on a subset of k≤L loci. These subsets or neighborhoods determine the genetic interactions of the model. Whereas earlier work on the NK model suggested that most of its properties are robust with regard to the choice of neighborhoods, recent work has revealed an important and sometimes counter-intuitive influence of the interaction structure on the properties of NK fitness landscapes. Here we review these developments and present new results concerning the number of local fitness maxima and the statistics of selectively accessible (that is, fitness-monotonic) mutational pathways. In particular, we develop a unified framework for computing the exponential growth rate of the expected number of local fitness maxima as a function of L, and identify two different universality classes of interaction structures that display different asymptotics of this quantity for large k. Moreover, we show that the probability that the fitness landscape can be traversed along an accessible path decreases exponentially in L for a large class of interaction structures that we characterize as locally bounded. Finally, we discuss the impact of the NK interaction structures on the dynamics of evolution using adaptive walk models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Novamene: A new class of carbon allotropes

We announce a new class of carbon allotropes. The basis of this new classification resides on the concept of combining hexagonal diamond (sp3 bonded carbon - lonsdaleite) and ring carbon (sp2 bonded carbon - graphene). Since hexagonal diamond acts as an insulator and sp2 bonded rings act as conductors, these predicted materials have potential applications for transistors and other electronic components. We describe the structure of a proposed series of carbon allotropes, novamene, and carry out a detailed computational analysis of the structural and electronic properties of the simplest compound in this class: the single-ring novamene. In addition, we suggest how hundreds of different allotropes of carbon could be constructed within this class.

36 MATERIALS SCIENCE↗

Allometric-kinetic model predictions of concentration ratios for anthropogenic radionuclides across animal classes and food selection

Protection of the environment from radiation fundamentally relies on dose assessments for non-human biota. These dose assessments use measured or predicted concentrations of radionuclides in soil or water combined with Concentration Ratios (CRs) to estimate tissue concentrations in animals and plants, yet there is a paucity of CR data relative to the vast number of potential taxa and radioactive contaminants in the environment and their taxon-specific ecosystems. Because there are many taxa each having very different behaviors and biology and many possible bioavailable radionuclides, CRs have the potential to vary by orders-of-magnitude, as often seen in published data. Given the diversity of taxa, the International Commission on Radiological Protection (ICRP) has categorized non-human biota into 12 representative organisms (ROs), while the U.S. Department of Energy (DOE) uses the non-taxon specific categories of terrestrial, riparian, and aquatic animals. The question we examine here is: do these categorizations adequately “represent” the broad diversity of animals? To explore this question, here we analyze an Allometric-Kinetic (A-K) model to calculate radionuclide-specific CRs for common animal classes which are then further subcategorized into herbivores, omnivores, carnivores, and invertebrate detritivores. Comparisons in CRs among animal classes exhibited only small differences, but there was order of magnitude differences between herbivores, carnivores, and especially detritivores, for many radionuclides of interest. These findings suggest that the ICRP ROs and the DOE categories are reasonable, but their accuracy could be improved by including sub-categories related to animal dietary ecology. Finally, comparisons of A-K model predicted CR values to published CRs show order-of-magnitude variations, providing justification for additional studies of assimilation across radionuclides and animal classes.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

Assessment of serum biomarkers in rats after exposure to pesticides of different chemical classes

There is increasing emphasis on the use of biomarkers of adverse outcomes in safety assessment and translational research. We evaluated serum biomarkers and targeted metabolite profiles after exposure to pesticides (permethrin, deltamethrin, imidacloprid, carbaryl, triadimefon, fipronil) with different neurotoxic actions. Adult male Long–Evans rats were evaluated after single exposure to vehicle or one of two doses of each pesticide at the time of peak effect. The doses were selected to produce similar magnitude of behavioral effects across chemicals. Serum or plasma was analyzed using commercial cytokine/protein panels and targeted metabolomics. Additional studies of fipronil used lower doses (lacking behavioral effects), singly or for 14 days, and included additional markers of exposure and biological activity. Biomarker profiles varied in the number of altered analytes and patterns of change across pesticide classes, and discriminant analysis could separate treatment groups from control. Low doses of fipronil produced greater effects when given for 14 days compared to a single dose. Changes in thyroid hormones and relative amounts of fipronil and its sulfone metabolite also differed between the dosing regimens. Most cytokine changes reflected alterations in inflammatory responses, hormone levels, and products of phospholipid, fatty acid, and amino acid metabolism. These findings demonstrate distinct blood-based analyte profiles across pesticide classes, dose levels, and exposure duration. These results show promise for detailed analyses of these biomarkers and their linkages to biological pathways. - Highlights: • Pesticides typical of different classes produced distinct patterns of change in biomarker panels. • Based on the panels used, alterations suggest impacts on immune, metabolism, and homeostasis functions. • Some changes may reflect actions on neurotransmitter systems involved in immune modulation. • Fipronil effects on thyroid and kinetics differed with acute and repeated administration.

60 APPLIED LIFE SCIENCES↗

Novel Technological Approach To Enhance Methane Recovery from Class 2 Hydrate Deposits by Employing CO 2 Injection

Class 2 hydrate accumulations are characterized by the presence of an aquifer underneath hydrate bearing sediment. Gas extraction from of these hydrate deposits is accompanied by release of large volumes of water that decreases gas production rates, imposes additional load on the lifting system and, as a result, degrades economical attractiveness of possible exploitation sites. Here, we study the enhanced methane production from Class 2 hydrate accumulations using the CO 2 -assisted technique in which the aquifer serves as a target zone for CO 2 injection. The heat release associated with the CO 2 hydrate formation and reduction of the aquifer’s permeability benefit the subsequent decomposition of the overlying methane hydrate. The new production technique includes three stages utilizing one vertical well, which serves as an injector during the first stage and as a producer in the third stage. First, the CO 2 is injected into the underlying aquifer, then the well is shut down and injected CO 2 is converted into hydrate during the second stage. In the third stage, decomposition of CH 4 hydrate is induced by the depressurization method to estimate gas production potential over 15 years. Lastly, the results reveal that methane production is increased together with simultaneous reduction of concomitant water production compared to production from the Class 2 reservoir using only conventional depressurization.

03 NATURAL GAS↗

Visualization of conformational changes and membrane remodeling leading to genome delivery by viral class-II fusion machinery

Chikungunya virus (CHIKV) is a human pathogen that delivers its genome to the host cell cytoplasm through endocytic low pH-activated membrane fusion mediated by class-II fusion proteins. Though structures of prefusion, icosahedral CHIKV are available, structural characterization of virion interaction with membranes has been limited. Here, we have used cryo-electron tomography to visualize CHIKV’s complete membrane fusion pathway, identifying key intermediary glycoprotein conformations coupled to membrane remodeling events. Using sub-tomogram averaging, we elucidate features of the low pH-exposed virion, nucleocapsid and full-length E1-glycoprotein’s post-fusion structure. Contrary to class-I fusion systems, CHIKV achieves membrane apposition by protrusion of extended E1-glycoprotein homotrimers into the target membrane. The fusion process also features a large hemifusion diaphragm that transitions to a wide pore for intact nucleocapsid delivery. Our analyses provide comprehensive ultrastructural insights into the class-II virus fusion system function and direct mechanistic characterization of the fundamental process of protein-mediated membrane fusion.

59 BASIC BIOLOGICAL SCIENCES↗

A new class of ensemble conserving algorithms for approximate quantum dynamics: Theoretical formulation and model problems

We develop two classes of quasi-classical dynamics that are shown to conserve the initial quantum ensemble when used in combination with the Feynman-Kleinert approximation of the density operator. These dynamics are used to improve the Feynman-Kleinert implementation of the classical Wigner approximation for the evaluation of quantum time correlation functions known as Feynman-Kleinert linearized path-integral. As shown, both classes of dynamics are able to recover the exact classical and high temperature limits of the quantum time correlation function, while a subset is able to recover the exact harmonic limit. A comparison of the approximate quantum time correlation functions obtained from both classes of dynamics is made with the exact results for the challenging model problems of the quartic and double-well potentials. It is found that these dynamics provide a great improvement over the classical Wigner approximation, in which purely classical dynamics are used. In a special case, our first method becomes identical to centroid molecular dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A generalized class of strongly stable and dimension-free T-RPMD integrators

Here, recent work shows that strong stability and dimensionality freedom are essential for robust numerical integration of thermostatted ringpolymer molecular dynamics (T-RPMD) and path-integral molecular dynamics, without which standard integrators exhibit non-ergodicity and other pathologies [R. Korol et al., J. Chem. Phys. 151, 124103 (2019) and R. Korol et al., J. Chem. Phys. 152, 104102 (2020)]. In particular, the BCOCB scheme, obtained via Cayley modification of the standard BAOAB scheme, features a simple reparametrization of the free ring-polymer sub-step that confers strong stability and dimensionality freedom and has been shown to yield excellent numerical accuracy in condensed-phase systems with large time steps. Here, we introduce a broader class of T-RPMD numerical integrators that exhibit strong stability and dimensionality freedom, irrespective of the Ornstein–Uhlenbeck friction schedule. In addition to considering equilibrium accuracy and time step stability as in previous work, we evaluate the integrators on the basis of their rates of convergence to equilibrium and their efficiency at evaluating equilibrium expectation values. Within the generalized class, we find BCOCB to be superior with respect to accuracy and efficiency for various configuration-dependent observables, although other integrators within the generalized class perform better for velocity-dependent quantities. Extensive numerical evidence indicates that the stated performance guarantees hold for the strongly anharmonic case of liquid water. Both analytical and numerical results indicate that BCOCB excels over other known integrators in terms of accuracy, efficiency, and stability with respect to time step for practical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Metal-free class Ie ribonucleotide reductase from pathogens initiates catalysis with a tyrosine-derived dihydroxyphenylalanine radical

All cells obtain 2'-deoxyribonucleotides for DNA synthesis through the activity of a ribonucleotide reductase (RNR). The class I RNRs found in humans and pathogenic bacteria differ in ( i ) use of Fe(II), Mn(II), or both for activation of the dinuclear-metallocofactor subunit, β; ( ii ) reaction of the reduced dimetal center with dioxygen or superoxide for this activation; ( iii ) requirement (or lack thereof) for a flavoprotein activase, NrdI, to provide the superoxide from O 2 ; and ( iv ) use of either a stable tyrosyl radical or a high-valent dimetal cluster to initiate each turnover by oxidizing a cysteine residue in the α subunit to a radical (Cys•). The use of manganese by bacterial class I, subclass b-d RNRs, which contrasts with the exclusive use of iron by the eukaryotic Ia enzymes, appears to be a countermeasure of certain pathogens against iron deprivation imposed by their hosts. Here, we report a metal-free type of class I RNR (subclass e) from two human pathogens. The Cys• in its α subunit is generated by a stable, tyrosine-derived dihydroxyphenylalanine radical (DOPA•) in β. The three-electron oxidation producing DOPA• occurs in Escherichia coli only if the β is coexpressed with the NrdI activase encoded adjacently in the pathogen genome. We conclude the independence of this new RNR from transition metals, or the requirement for a single metal ion only transiently for activation, may afford the pathogens an even more potent countermeasure against transition metal-directed innate immunity.

59 BASIC BIOLOGICAL SCIENCES↗

Structural characterization of an activin class ternary receptor complex reveals a third paradigm for receptor specificity

TGFβ family ligands, which include the TGFβs, BMPs, and activins, signal by forming a ternary complex with type I and type II receptors. For TGFβs and BMPs, structures of ternary complexes have revealed differences in receptor assembly. However, structural information for how activins assemble a ternary receptor complex is lacking. In this paper, we report the structure of an activin class member, GDF11, in complex with the type II receptor ActRIIB and the type I receptor Alk5. The structure reveals that receptor positioning is similar to the BMP class, with no interreceptor contacts; however, the type I receptor interactions are shifted toward the ligand fingertips and away from the dimer interface. Mutational analysis shows that ligand type I specificity is derived from differences in the fingertips of the ligands that interact with an extended loop specific to Alk4 and Alk5. The study also reveals differences for how TGFβ and GDF11 bind to the same type I receptor, Alk5. For GDF11, additional contacts at the fingertip region substitute for the interreceptor interactions that are seen for TGFβ, indicating that Alk5 binding to GDF11 is more dependent on direct contacts. In support, we show that a single residue of Alk5 (Phe 84 ), when mutated, abolishes GDF11 signaling, but has little impact on TGFβ signaling. The structure of GDF11/ActRIIB/Alk5 shows that, across the TGFβ family, different mechanisms regulate type I receptor binding and specificity, providing a molecular explanation for how the activin class accommodates low-affinity type I interactions without the requirement of cooperative receptor interactions.

59 BASIC BIOLOGICAL SCIENCES↗

INVESTIGATING THE CORE MORPHOLOGY-SEYFERT CLASS RELATIONSHIP WITH HUBBLE SPACE TELESCOPE ARCHIVAL IMAGES OF LOCAL SEYFERT GALAXIES

The unified model of active galactic nuclei (AGNs) has provided a successful explanation for the observed diversity of AGNs in the local universe. However, recent analysis of multi-wavelength spectral and image data suggests that the unified model is only a partial theory of AGNs, and may need to be augmented to remain consistent with all observations. Recent studies using high spatial resolution ground- and space-based observations of local AGNs show that Seyfert class and the ''core'' (r {approx}< 1 kpc) host-galaxy morphology are correlated. Currently, this relationship has only been established qualitatively, by visual inspection of the core morphologies of low-redshift (z < 0.035) Seyfert host galaxies. We re-establish this empirical relationship in Hubble Space Telescope optical imaging by visual inspection of a catalog of 85 local (D < 63 Mpc) Seyfert galaxies. We also attempt to re-establish the core morphology-Seyfert class relationship using an automated, non-parametric technique that combines both existing classification parameter methods (the adapted CAS and G-M {sub 20}) and a new method which implements the Source Extractor software for feature detection in unsharp-mask images. This new method is designed explicitly to detect dust features in the images. We use our automated approach to classify the morphology of the AGN cores and determine that Sy2 galaxies visually appear, on average, to have more dust features than Sy1. With the exception of this ''dustiness'' however, we do not measure a strong correlation between the dust morphology and the Seyfert class of the host galaxy using quantitative techniques. We discuss the implications of these results in the context of the unified model.

79 ASTRONOMY AND ASTROPHYSICS↗

A CLASS OF ECCENTRIC BINARIES WITH DYNAMIC TIDAL DISTORTIONS DISCOVERED WITH KEPLER

We have discovered a class of eccentric binary systems within the Kepler data archive that have dynamic tidal distortions and tidally induced pulsations. Each has a uniquely shaped light curve that is characterized by periodic brightening or variability at timescales of 4-20 days, frequently accompanied by shorter period oscillations. We can explain the dominant features of the entire class with orbitally varying tidal forces that occur in close, eccentric binary systems. The large variety of light curve shapes arises from viewing systems at different angles. This hypothesis is supported by spectroscopic radial velocity measurements for five systems, each showing evidence of being in an eccentric binary system. Prior to the discovery of these 17 new systems, only four stars, where KOI-54 is the best example, were known to have evidence of these dynamic tides and tidally induced oscillations. We perform preliminary fits to the light curves and radial velocity data, present the overall properties of this class, and discuss the work required to accurately model these systems.

79 ASTRONOMY AND ASTROPHYSICS↗

MAGNETIC STRUCTURE PRODUCING X- AND M-CLASS SOLAR FLARES IN SOLAR ACTIVE REGION 11158

We study the three-dimensional magnetic structure of the solar active region 11158, which produced one X-class and several M-class flares on 2011 February 13-16. We focus on the magnetic twist in four flare events, M6.6, X2.2, M1.0, and M1.1. The magnetic twist is estimated from the nonlinear force-free field extrapolated from the vector fields obtained from the Helioseismic and Magnetic Imager on board the Solar Dynamic Observatory using the magnetohydrodynamic relaxation method developed by Inoue et al. We found that strongly twisted lines ranging from half-turn to one-turn twists were built up just before the M6.6 and X2.2 flares and disappeared after that. Because most of the twists remaining after these flares were less than a half-turn twist, this result suggests that the buildup of magnetic twist over the half-turn twist is a key process in the production of large flares. On the other hand, even though these strong twists were also built up just before the M1.0 and M1.1 flares, most of them remained afterward. Careful topological analysis before the M1.0 and M1.1 flares shows that the strongly twisted lines were surrounded mostly by the weakly twisted lines formed in accordance with the clockwise motion of the positive sunspot, whose footpoints are rooted in strong magnetic flux regions. These results imply that these weakly twisted lines might suppress the activity of the strongly twisted lines in the last two M-class flares.

79 ASTRONOMY AND ASTROPHYSICS↗

DISK AND ENVELOPE STRUCTURE IN CLASS 0 PROTOSTARS. II. HIGH-RESOLUTION MILLIMETER MAPPING OF THE SERPENS SAMPLE

We present high-resolution CARMA 230 GHz continuum imaging of nine deeply embedded protostars in the Serpens Molecular Cloud, including six of the nine known Class 0 protostars in Serpens. This work is part of a program to characterize disk and envelope properties for a complete sample of Class 0 protostars in nearby low-mass star-forming regions. Here, we present CARMA maps and visibility amplitudes as a function of uv-distance for the Serpens sample. Observations are made in the B, C, D, and E antenna configurations, with B configuration observations utilizing the CARMA Paired Antenna Calibration System. Combining data from multiple configurations provides excellent uv-coverage (4-500 k{lambda}), allowing us to trace spatial scales from 10{sup 2} to 10{sup 4} AU. We find evidence for compact disk components in all of the observed Class 0 protostars, suggesting that disks form at very early times (t < 0.2 Myr) in Serpens. We make a first estimate of disk masses using the flux at 50 k{lambda}, where the contribution from the envelope should be negligible, assuming an unresolved disk. The resulting disk masses range from 0.04 M{sub sun} to 1.7 M{sub sun}, with a mean of approximately 0.2 M{sub sun}. Our high-resolution maps are also sensitive to binary or multiple sources with separations {approx}> 250 AU, but significant evidence of multiplicity on scales <2000 AU is seen in only one source.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

An updated analysis of two classes of f(R) theories of gravity

The observed accelerated cosmic expansion can be a signature of fourth-order gravity theories, where the acceleration of the Universe is a consequence of departures from Einstein General Relativity, rather than the sign of the existence of a fluid with negative pressure. In the fourth-order gravity theories, the gravity Lagrangian is described by an analytic function f(R) of the scalar curvature R subject to the demanding conditions that no detectable deviations from standard GR is observed on the Solar System scale. Here we consider two classes of f(R) theories able to pass Solar System tests and investigate their viability on cosmological scales. To this end, we fit the theories to a large dataset including the combined Hubble diagram of Type Ia Supernovae and Gamma Ray Bursts, the Hubble parameter H(z) data from passively evolving red galaxies, Baryon Acoustic Oscillations extracted from the seventh data release of the Sloan Digital Sky Survey (SDSS) and the distance priors from the Wilkinson Microwave Anisotropy Probe seven years (WMAP7) data. We find that both classes of f(R) fit very well this large dataset with the present-day values of the matter density, Hubble constant and deceleration parameter in agreement with previous estimates; however, the strong degeneracy among the f(R) parameters prevents us from strongly constraining their values. We also derive the growth factor g = dln δ/dln a, with δ = δρ{sub M}/ρ{sub M} the matter density perturbation, and show that it can still be well approximated by g(z)∝Ω{sub M}(z){sup γ}. We finally constrain γ (on some representative scales) and investigate its redshift dependence to see whether future data can discriminate between these classes of f(R) theories and standard dark energy models.

79 ASTRONOMY AND ASTROPHYSICS↗

Universality class in conformal inflation

We develop a new class of chaotic inflation models with spontaneously broken conformal invariance. Observational consequences of a broad class of such models are stable with respect to strong deformations of the scalar potential. This universality is a critical phenomenon near the point of enhanced symmetry, SO(1,1), in case of conformal inflation. It appears because of the exponential stretching of the moduli space and the resulting exponential flattening of scalar potentials upon switching from the Jordan frame to the Einstein frame in this class of models. This result resembles stretching and flattening of inhomogeneities during inflationary expansion. It has a simple interpretation in terms of velocity versus rapidity near the Kähler cone in the moduli space, similar to the light cone of special theory of relativity. This effect makes inflation possible even in the models with very steep potentials. We describe conformal and superconformal versions of this cosmological attractor mechanism.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A large class of solvable multistate Landau–Zener models and quantum integrability

The concept of quantum integrability has been introduced recently for quantum systems with explicitly time-dependent Hamiltonians (Sinitsyn et al 2018 Phys. Rev. Lett. 120 190402). Within the multistate Landau–Zener (MLZ) theory, however, there has been a successful alternative approach to identify and solve complex time-dependent models (Sinitsyn and Chernyak 2017 J. Phys. A: Math. Theor. 50 255203). Here in this paper we compare both methods by applying them to a new class of exactly solvable MLZ models. This class contains systems with an arbitrary number N$\geqslant$4 of interacting states and shows quick growth with N number of exact adiabatic energy crossing points, which appear at different moments of time. At each N, transition probabilities in these systems can be found analytically and exactly but complexity and variety of solutions in this class also grow with N quickly. We illustrate how common features of solvable MLZ systems appear from quantum integrability and develop an approach to further classification of solvable MLZ problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

CLASS 0 PROTOSTARS IN THE PERSEUS MOLECULAR CLOUD: A CORRELATION BETWEEN THE YOUNGEST PROTOSTARS AND THE DENSE GAS DISTRIBUTION

We use PACS and SPIRE continuum data at 160 μm, 250 μm, 350 μm, and 500 μm from the Herschel Gould Belt Survey to sample seven clumps in Perseus: B1, B1-E, B5, IC 348, L1448, L1455, and NGC 1333. Additionally, we identify and characterize the embedded Class 0 protostars using detections of compact Herschel sources at 70 μm as well as archival Spitzer catalogs and SCUBA 850 μm photometric data. We identify 28 candidate Class 0 protostars, four of which are newly discovered sources not identified with Spitzer. We find that the star formation efficiency of clumps, as traced by Class 0 protostars, correlates strongly with the flatness of their respective column density distributions at high values. This correlation suggests that the fraction of high column density material in a clump reflects only its youngest protostellar population rather than its entire source population. We propose that feedback from either the formation or evolution of protostars changes the local density structure of clumps.

79 ASTRONOMY AND ASTROPHYSICS↗