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At least 361 records · Page 20

Determining best practices for using genetic algorithms in molecular discovery

Genetic algorithms (GAs) are a powerful tool to search large chemical spaces for inverse molecular design. However, GAs have multiple hyperparameters that have not been thoroughly investigated for chemical space searches. In this tutorial, we examine the general effects of a number of hyperparameters, such as population size, elitism rate, selection method, mutation rate, and convergence criteria, on key GA performance metrics. Here, we show that using a self-termination method with a minimum Spearman’s rank correlation coefficient of 0.8 between generations maintained for 50 consecutive generations along with a population size of 32, a 50% elitism rate, three-way tournament selection, and a 40% mutation rate provides the best balance of finding the overall champion, maintaining good coverage of elite targets, and improving relative speedup for general use in molecular design GAs.

36 MATERIALS SCIENCE↗

Physical properties and evolutionary time scales of disks around solar-type and intermediate mass stars

Recent observations of circumstellar disks and their evolutionary timescales are reviewed. It is concluded that disks appear to be a natural outcome of the star-formation process. The disks surrounding young stars initially are massive, with optically thick structures comprised of gas and micron-sized grains. Disk masses are found to range from 0.01 to 0.2 solar masses for solar-type PMS stars, and from 0.01 to 6 solar masses for young, intermediate mass stars. Massive, optically thick accretion disks have accretion rates between 10 exp -8 and 10 exp -6 solar masses/yr for solar type PMS stars and between 10 exp -6 and 10 exp -4 solar masses/yr for intermediate stars. The results suggest that a significant fraction of the mass comprising the star may have passed through a circumstellar accretion disk.

Strom, Stephen E.↗

Drought impacts on microbial trait distribution and feedback to soil carbon cycling

Abstract Quantifying the impact of drought on microbial processes and its consequences for soil carbon cycling is hindered by the lack of underlying mechanistic understanding. Therefore, there is a need to scale up the physiological response to changing water status from individual soil microbes to collective communities across different ecosystems. Here we propose the use of a framework that incorporates trait‐based ecology to link drought‐impacted microbial processes to rates of soil carbon decomposition and stabilisation. We briefly synthesise existing knowledge on the effects of drought on microbial physiology at the individual to community scale, before integrating this understanding within a framework incorporating life‐history strategy, ecological strategy and biochemistry. This framework highlights a dynamic allocation to high yield (Y), resource acquisition (A) and stress tolerance (S) pathways as environmental conditions change. Y‐A‐S strategies represent sets of traits that tend to correlate due to physiological or evolutionary trade‐offs. This framework enables assessment of microbial processes along two key environmental gradients of water and resource availability, both of which are constrained by drought. The variable chemistry of biomass and necromass produced under different physiological strategies in response to drying–rewetting impacts organic matter decomposition and stabilisation in soils, and should also be considered when quantifying soil carbon balance. We highlight that diversion of resources away from microbial growth can alter soil organic matter chemistry and its persistence depending on the kind of microbial compounds produced. To advance such a framework, we highlight avenues of research that would enable the further identification and quantification of traits linked to Y‐A‐S strategies and the physiological outcomes at the community level under drought and rewetting, and conclude by hypothesising how ecosystem‐level changes might feedback on to the soil carbon cycle. A scalable understanding of microbial drought‐response mechanisms affecting soil carbon cycling will transform the way microbial physiology is represented in ecosystem studies. Read the free Plain Language Summary for this article on the Journal blog.

59 BASIC BIOLOGICAL SCIENCES↗

On the luminosity function, lifetimes, and origin of blue stragglers in globular clusters

We compute theoretical evolutionary tracks of blue stragglers created by mergers. Two formation scenarios are considered: mergers of primordial binaries, and stellar collisions. These two scenarios predict strikingly different luminosity functions, which are potentially distinguishable observationally. Tabulated theoretical luminosity functions and lifetimes are presented for blue stragglers formed under a variety of input conditions. We compare our results with observations of the blue straggler sequences in 47 Tucanae and M3. In the case of 47 Tuc, the luminosity function and the formation rate are compatible with the hypothesis that the blue stragglers formed through the collision of single stars. Mergers of primordial binaries are only marginally cosistent with the data, and a significant enhancement of the collision cross section by binary-single-star encounters appears to be ruled out. In the case of M3, we find that the innermost blue stragglers have a luminosity function significantly different from that of the outer stragglers, thus confirming earlier suggestions that there are two distinct populations of blue stragglers in this cluster. The inner stragglers are preferentially brighter and bluer, as would be expected if they were made by collisions, but there are so many of them that the collision rate would need to be enhanced by interactions involving wide binaries. The luminosity function of the outer stragglers is almost identical to the predictions of mergers from primordial binaries and is inconsistent with the collision hypothesis.

Bailyn, Charles D.↗

Rotational history of the sun: Spin-down of the interior by circulation currents and fluid instabilities

A number of astronomical observations show that solar-type stars begin the main-sequence stage with surface rotation rates which are much greater than that of the sun. The subsequent decrease in the surface rotation rate is due to the braking torque exerted by magnetically-coupled mass loss (the solar wind). The direct braking action of the solar wind should be confined to the convective envelope so the rotation of the radiative interior remains an open question. After reviewing the relevant astronomical data, we describe how angular momentum could be transported out of the radiative interior by fluid instabilities and estimate the time scales for such transport. This picture is used to construct an evolutionary model of the sun, which predicts the present rotation of the radiative interior. The results of such a model are interpreted in terms of the measured oblateness of the solar surface.

Endal, A. S.↗

The Origin and Evolution of Interstellar Dust in the Local and High-Redshift Universe

In this talk I will begin by reviewing our current state of knowledge regarding the origin and evolution of dust in the local solar neighborhood. Using chemical evolution models, I will discuss their many different input parameters and their uncertainties. An important consequence of these models is the delayed injection of dust from AGB stars, compared to supernova-condensed dust, into the interstellar medium. I will show that these stellar evolutionary effects on dust composition are manifested in the infrared spectra of local galaxies. The delayed production of dust in AGB stars has also important consequences for the origin of the large amount of dust detected in high-redshift galaxies, when the universe was less that - 1 Gyr old. Supernovae may have been the only viable dust sources in those galaxies. Recent observations of SN1987a show a significant mass of dust in the ejecta of this SN. Is that production rate high enough to account for the observed dust mass in these galaxies? If not, what are the alternative viable sources of dust, and how do they depend on the nature of the galaxy (starburst or AGN) and its star formation history.

Dwek, Eliahu↗

The Origin and Evolution of Interstellar Dust in the Local and High-redshift Universe

In this talk I will begin by reviewing our current state of knowledge regarding the origin and evolution of dust in the local solar neighborhood. using chemical evolution models, I will discuss their many different input parameters and their uncertainties. An important consequence of these models is the delayed injection of dust from AGB stars, compared to supernova-condensed dust, into the interstellar medium. I will show that these stellar evolutionary effects on dust composition are manifested in the infrared spectra of local galaxies. The delayed production of dust in AGB stars has also important consequences for the origin of the large amount of dust detected in high-redshift galaxies, when the universe was less that approx. 1 Gyr old. Supernovae may have been the only viable dust sources in those galaxies. Recent observations of sN1987a show a significant mass of dust in the ejecta of this SN. Is that production rate high enough to account for the observed dust mass in these galaxies? If not, what are the alternative viable sources of dust, and how do they depend on the nature of the galaxy (starburst or AGN) and its star formation history .

Dwek, Eliahu↗

Functional protein mining with conformal guarantees

Molecular structure prediction and homology detection offer promising paths to discovering protein function and evolutionary relationships. However, current approaches lack statistical reliability assurances, limiting their practical utility for selecting proteins for further experimental and in-silico characterization. To address this challenge, we introduce a statistically principled approach to protein search leveraging principles from conformal prediction, offering a framework that ensures statistical guarantees with user-specified risk and provides calibrated probabilities (rather than raw ML scores) for any protein search model. Our method (1) lets users select many biologically-relevant loss metrics (i.e. false discovery rate) and assigns reliable functional probabilities for annotating genes of unknown function; (2) achieves state-of-the-art performance in enzyme classification without training new models; and (3) robustly and rapidly pre-filters proteins for computationally intensive structural alignment algorithms. Our framework enhances the reliability of protein homology detection and enables the discovery of uncharacterized proteins with likely desirable functional properties.

59 BASIC BIOLOGICAL SCIENCES↗

Revisiting synthetic lethality of Gcn5-related N-acetyltransferase (GNAT) family mutations in Haloferax volcanii

ABSTRACT Lysine acetylation is a post-translational modification that occurs in all domains of life, highlighting its evolutionary significance. Previous genome comparison identified three Gcn5-related N-acetyltransferase (GNAT) family members as lysine acetyltransferase homologs (Pat1, Pat2, and Elp3) and two deacetylase homologs (Sir2 and HdaI) in the halophilic archaeonHaloferax volcanii, withelp3andpat2proposed as a synthetic lethal gene pair. Here, we advance these findings by performing single and double mutagenesis ofelp3with thepat1andpat2lysine acetyltransferase gene homologs. Genome sequencing and PCR screens of these strains reveal successful generation of Δelp3,Δpat1Δelp3, and Δpat2Δelp3mutant strains. Although these mutant strains exhibited a reduced growth rate compared to the parent, they remained viable. Overall, this study provides genetic evidence thatelp3andpat2, while impacting cell growth, are not a synthetic lethal gene pair as previously reported. IMPORTANCE Here, we reveal by whole-genome sequencing that the GNAT family gene homologselp3andpat2can be deleted in the sameHaloferax volcaniistrain. Beyond the targeted deletions, minimal differences between the parent and Δelp3Δpat2mutant were observed, suggesting that suppressor mutations are not responsible for our ability to generate this double mutant strain. Elp3 and Pat2, thus, may not share as close a functional relationship as implied by earlier study. Our finding is significant as Elp3 is thought to function in acetylation in tRNA modification, while Pat2 likely functions in the lysine acetylation of proteins.

Microbiology↗

Discovery of orbital decay in SMC X-1

Three observations of the binary X-ray pulsar SMC X-1 with the Ginga satellite, conducted on 3 days in 1987 May, 8.4 days in 1988 August-September, and 4 days in 1989 July-August, are reported. Based on the three observation epochs, the rate of change in the orbital period is estimated at (-3.36 +/- 0.02) x 10 exp -6/yr. An interpretation of the orbital decay is made in the context of tidal evolution with allowance for the effect of the increasing moment of inertia of the companion star due to its nuclear evolution. While the orbital decay is thought to be driven by tidal interactions, it is suggested that the asynchronism between the orbit and the rotation of the companion star is most likely maintained by the evolutionary expansion of the companion star (Sk 160) rather than via the Darwin instability.

Levine, A.↗

Long Term Manipulations of Intact Microbial Mat Communities in a Greenhouse Collaboratory: Simulating Earth's Present and Past Field Environments

Photosynthetic microbial mat communities were obtained from marine hypersaline saltern ponds, maintained in a greenhouse facility, and examined for the effects of salinity variations. Because these microbial mats are considered to be useful analogs of equivalent ancient marine communities, they offer insights about evolutionary events during the greater than 3 billion year time interval wherein mats co-evolved with Earth's geosphere and atmosphere. Although photosynthetic mats can be highly dynamic and exhibit extremely high activity, the mats in the present study have been maintained for more than one year with relatively minor changes. The major groups of microorganisms, as assayed using microscopic, genetic, and biomarker methodologies, are essentially the same as those in the original field samples. Field and greenhouse mats were similar with respect to rates of exchange of oxygen and dissolved inorganic carbon across the mat-water interface, both during the day and at night. Field and greenhouse mats exhibited similar rates of efflux of methane and hydrogen. Manipulations of salinity in the water overlying the mats produced changes in the community that strongly resemble those observed in the field. A collaboratory testbed and an array of automated features are being developed to support remote scientific experimentation with the assistance of intelligent software agents. This facility will permit teams of investigators to explore ancient environmental conditions that are rare or absent today but might have influenced the early evolution of these photosynthetic ecosystems.

Bebout, Brad↗

The Role of Evolutionary Age and Metallicity in the Formation of Classical BE Circumstellar Disks II. Assessing the True Nature of Candidate Disk Systems

Photometric 2-color diagram (2-CD) surveys of young cluster populations have been used to identify populations of B-type stars exhibiting excess Ha emission. The prevalence of these excess emitters, assumed to be "Be stars". has led to the establishment of links between the onset of disk formation in classical Be stars and cluster age and/or metallicity. We have obtained imaging polarization observations of six SMC and six LMC clusters whose candidate Be populations had been previously identified via 2-CDs. The interstellar polarization (ISP) associated with these data has been identified to facilitate an examination of the circumstellar environments of these candidate Be stars via their intrinsic polarization signatures, hence determine the true nature of these objects. We determined that the ISP associated with the SMC cluster NGC 330 was characterized by a modified Serkowski law with a lambda(sub max) of approx. 4500Angstroms, indicating the presence of smaller than average dust grains. The morphology of the ISP associated with the LMC cluster NGC 2100 suggests that its interstellar environment is characterized by a complex magnetic field. Our intrinsic polarization results confirm the suggestion of Wisniewski et al. that a substantial number of bona-fide classical Be stars are present in clusters of age 5-8 Myr. Hence, our data contradict recent assertions that the Be phenomenon develops in the second half of a B star's main sequence lifetime, i.e. no earlier than 10 Myr. These data imply that a significant number of B-type stars must emerge onto the zero-age-main-sequence rotating at near-critical rotation rates, although we can not rule out the possibility that these data instead reveal the presence of a sub-group of the Be phenomenon characterized by sub-critically rotating objects. Comparing the polarimetric properties of our dataset to a similar survey of Galactic classical Be stars, we find that the prevalence of polarimetric Balmer jump signatures decreases with metallicity. We speculate that these results might indicate that either it is more difficult to form large disk systems in low metallicity environments, or that the average disk temperature is higher in these low metallicity environments. We have characterized the polarimetric signatures of all candidate Be stars in our data sample and find approx. 25% are unlikely to arise from true classical Be star-disk systems. This detection of such a substantial number "contaminants" suggests one should proceed with caution when attempting to determine the role of evolutionary age and/or metallicity in the Be phenomenon purely via 2-CD results.

Wisniewski, J. P.↗

Fate of supernova progenitors in massive binary systems

ABSTRACT How massive stars end their lives depends on the core mass, core angular momentum, and hydrogen envelopes at death. However, these key physical facets of stellar evolution can be severely affected by binary interactions. In turn, the effectiveness of binary interactions itself varies greatly depending on the initial conditions of the binaries, making the situation much more complex. We investigate systematically how binary interactions influence core–collapse progenitors and their fates. Binary evolution simulations are performed to survey the parameter space of supernova progenitors in solar metallicity binary systems and to delineate major evolutionary paths. We first study fixed binary mass ratios ($q=M_2/M_1$ = 0.5, 0.7, and 0.9) to elucidate the impacts of initial mass and initial separation on the outcomes, treating separately Type Ibc supernova, Type II supernova, accretion-induced collapse (AIC), rapidly rotating supernova (Ibc-R), black hole formation, and long gamma ray burst (long GRB). We then conduct 12 binary population synthesis model calculations, varying the initial condition distributions and binary evolution parameters, to estimate various supernova fractions. We obtain a Milky Way supernova rate $R_{\rm SN} = (1.78$–$2.47) \times 10^{-2} \, {\rm yr}^{-1}$ which is consistent with observations. We find the rates of AIC, Ibc-R, and long GRB to be $\sim 1/100$ the rate of regular supernovae. Our estimated long GRB rates are higher than the observed long GRB rate and close to the low luminosity GRB rate, although care must be taken considering our models are computed with solar metallicity. Furthering binary modelling and improving the inputs one by one will enable more detailed studies of these and other transients associated with massive stars.

Astronomy & Astrophysics↗

Mapping the Outcomes of Stellar Evolution in the Disks of Active Galactic Nuclei

The disks of active galactic nuclei (AGNs) are expected to be populated by numerous stars, either formed in the outer regions of the disk via gravitational instability or captured from the nearby nuclear star cluster. Regardless of their formation mechanism, these stars experience altered evolutionary paths, mostly shaped by the accretion of dense disk material. In this study, through the comparison of different timescales, we chart the evolutionary outcomes of these AGN stars as a function of disk radius and across a range of supermassive black hole masses, spanning from 10 6 to 10 9 M ⊙ , for two popular AGN disk models. We find that in the outer regions of the disk, stars evolve similarly to those in the interstellar medium, but in the inner and denser regions, accretion quickly turns low-mass stars into massive stars, and their fate depends on just how quickly they accrete. If accretion occurs at a faster rate than nuclear burning, they can reach a quasi-steady "immortal" state. If stars accrete faster than they can thermally adjust, runaway accretion occurs, potentially preventing a quasi-steady state and altering the disk structure. During the AGN lifetime, in the regions of the disk that produce massive stars, supernovae (SNe) and gamma-ray bursts (GRBs) may occur within the disk over a wide range of optical depths and ambient densities. Subsequently, in the final phase of the AGN, as the disk becomes depleted, formerly immortal stars will be unable to replenish their fuel, leading to additional SNe and GRBs.

79 ASTRONOMY AND ASTROPHYSICS↗

Spectral evolution of young stellar objects

An evolutionary sequence, from protostars to pre-main-sequence stars, is suggested for the classification of young stellar objects. This sequence is derived by comparing the predictions of the theoretical models of Adams and Shu with the morphological classification scheme of Lada and Wilking. We first define the spectral index in the near- and mid-infrared, n is identical to d log(nu F sub nu)/d log nu, and then interpret the class of sources with negative spectral indices as protostars. The inferred mass infall rates for these objects are generally consistent with the measured gas temperatures of approx. 35 K in Ophiuchus, and of approx. 10 K in Taurus. Fitting the data requires us to adopt cloud rotation rates in Ophiuchus which are typically an order of magnitude greater than in Taurus, and we speculate on the mechanistic origin for this difference. Next, we consider a subclass of T Tauri stars with near- and mid-infrared excesses and positive or zero spectral indices. We find that the objects with the steeper indices can be understood as the post-infall products from the collapse of rotating cloud cores, where the infrared excesses arise from the simple reprocessing of visible stellar photons in optically thick but spatially thin disks. The sources with flatter spectra may require massive accretion disks. Given the existence of protostars and naked star/disk systems, there is a natural interpretation of another subclass of T Tauri stars, those with two peaks in their emergent spectral energy distributions. These are readily explained as intermediate cases in which dust envelopes still surround the stars and disks. Finally, we find that the theory can be extended to explain the spectral energy distribution of FU Orionis, a famous outburst source. Our model suggests that FU Orionis has a disk, but it offers no discrimination between the competing ideas that the outburst took place on the star or in the disk.

Adams, F. C.↗

Discovery of Orbital Decay in SMC X-1

We report on the results of three observations of the binary X-ray pulsar SMC X-1 with the Ginga satellite. Timing analyses of the 0.71 s X-ray pulsations yield Doppler delay curves which, in turn, enable the most accurate determination of the SMC X-1 orbital parameters available to date. Epochs of phase zero for the 3.9 day orbit were determined for 1987 May, 1988 August, and 1989 August with accuracies of 13, 0.6, and 3 s, respectively. These epochs are combined with two previous determinations of the orbital epoch to yield the rate of change in the orbital period dot-P(orb)/P(orb) = ( 3.36 +/- 0.02) x 10(exp -6) yr(exp -1). An interpretation of the orbital decay is made in the context of tidal evolution, with consideration of the influence of the increasing moment of inertia of the companion star due to its nuclear evolution. We find that, while the orbital decay is probably driven by tidal interactions, the asynchronism between the orbit and the rotation of the companion star is most likely maintained by the evolutionary expansion of the companion star (Sk 160) rather than via the Darwin instability. In this case Sk 160 is likely to be in the hydrogen shell burning phase of its evolution. Finally, a discussion is presented of the relation among the time scales for stellar evolution (less than 10(exp 7) yr), orbital decay (3 x 10(exp 5) yr), and neutron-star spin-up in the SMC X-1 system (2000 yr). In particular, we present the result of a self-consistent calculation for the histories of the spin of the neutron star and the mass transfer in this system. A plausible case can be made for the spin-up time scale being directly related to the lifetime of the luminous X-ray phase which will end in a common-envelope phase within a time of less than approx. 10(exp 4) yr.

Levine, A.↗

Enabling Communication and Navigation Technologies for Future Near Earth Science Missions

In 2015, the Earth Regimes Network Evolution Study (ERNESt) Team proposed a fundamentally new architectural concept, with enabling technologies, that defines an evolutionary pathway out to the 2040 timeframe in which an increasing user community comprised of more diverse space science and exploration missions can be supported. The architectural concept evolves the current instantiations of the Near Earth Network and Space Network through implementation of select technologies resulting in a global communication and navigation network that provides communication and navigation services to a wide range of space users in the Near Earth regime, defined as an Earth-centered sphere with radius of 2M Km. The enabling technologies include: High Rate Optical Communications, Optical Multiple Access (OMA), Delay Tolerant Networking (DTN), User Initiated Services (UIS), and advanced Position, Navigation, and Timing technology (PNT). This paper describes this new architecture, the key technologies that enable it and their current technology readiness levels. Examples of science missions that could be enabled by the technologies and the projected operational benefits of the architecture concept to missions are also described.

Networking↗

Evolutionary engineering reveals amino acid substitutions in Ato2 and Ato3 that allow improved growth of Saccharomyces cerevisiae on lactic acid

ABSTRACT In Saccharomyces cerevisiae, the complete set of proteins involved in transport of lactic acid across the cell membrane has not been determined. In this study, we aimed to identify transport proteins not previously described to be involved in lactic acid transport via a combination of directed evolution, whole-genome resequencing and reverse engineering. Evolution of a strain lacking all known lactic acid transporters on lactate led to the discovery of mutated Ato2 and Ato3 as two novel lactic acid transport proteins. When compared to previously identified S. cerevisiae genes involved in lactic acid transport, expression of ATO3T284C was able to facilitate the highest growth rate (0.15 ± 0.01 h-1) on this carbon source. A comparison between (evolved) sequences and 3D models of the transport proteins showed that most of the identified mutations resulted in a widening of the narrowest hydrophobic constriction of the anion channel. We hypothesize that this observation, sometimes in combination with an increased binding affinity of lactic acid to the sites adjacent to this constriction, are responsible for the improved lactic acid transport in the evolved proteins.

Baldi, Nicolò↗