We report a structural study on the membrane binding of ovispirin using 2D IR line shape analysis, isotope labeling, and molecular dynamics simulations. Ovispirin is an antibiotic polypeptide that ...binds to the surfaces of membranes as an α-helix. By resolving individual backbone vibrational modes (amide I) using 1-13 C18 O labeling, we measured the 2D IR line shapes for 15 of the 18 residues in this peptide. A comparison of the line shapes reveals an oscillation in the inhomogeneous line width that has a period equal to that of an α-helix (3.6 amino acids). The periodic trend is caused by the asymmetric environment of the membrane bilayer that exposes one face of the α-helix to much stronger environmental electrostatic forces than the other. We compare our experimental results to 2D IR line shapes calculated using the lowest free energy structure identified from molecular dynamics simulations. These simulations predict a periodic trend similar to the experiment and lead us to conclude that ovispirin lies in the membrane just below the headgroups, is tilted, and may be kinked. Besides providing insight into the antibiotic mechanism of ovispirin, our procedure provides an infrared method for studying peptide and protein structures that relies on the natural vibrational modes of the backbone. It is a complementary method to other techniques that utilize line shapes, such as fluorescence, NMR, and ESR spectroscopies, because it does not require mutations, the spectra can be quantitatively simulated using molecular dynamics, and the technique can be applied to difficult-to-study systems like ion channels, aggregated proteins, and kinetically evolving systems.
Blinding multiprobe cosmological experiments Muir, J; Bernstein, G M; Huterer, D ...
Monthly notices of the Royal Astronomical Society,
04/2020, Volume:
494, Issue:
3
Journal Article
Peer reviewed
Open access
ABSTRACT
The goal of blinding is to hide an experiment’s critical results – here the inferred cosmological parameters – until all decisions affecting its analysis have been finalized. This is ...especially important in the current era of precision cosmology, when the results of any new experiment are closely scrutinized for consistency or tension with previous results. In analyses that combine multiple observational probes, like the combination of galaxy clustering and weak lensing in the Dark Energy Survey (DES), it is challenging to blind the results while retaining the ability to check for (in)consistency between different parts of the data. We propose a simple new blinding transformation, which works by modifying the summary statistics that are input to parameter estimation, such as two-point correlation functions. The transformation shifts the measured statistics to new values that are consistent with (blindly) shifted cosmological parameters while preserving internal (in)consistency. We apply the blinding transformation to simulated data for the projected DES Year 3 galaxy clustering and weak lensing analysis, demonstrating that practical blinding is achieved without significant perturbation of internal-consistency checks, as measured here by degradation of the χ2 between the data and best-fitting model. Our blinding method’s performance is expected to improve as experiments evolve to higher precision and accuracy.
ABSTRACT
Obtaining accurate distributions of galaxy redshifts is a critical aspect of weak lensing cosmology experiments. One of the methods used to estimate and validate redshift distributions is to ...apply weights to a spectroscopic sample, so that their weighted photometry distribution matches the target sample. In this work, we estimate the selection bias in redshift that is introduced in this procedure. We do so by simulating the process of assembling a spectroscopic sample (including observer-assigned confidence flags) and highlight the impacts of spectroscopic target selection and redshift failures. We use the first year (Y1) weak lensing analysis in Dark Energy Survey (DES) as an example data set but the implications generalize to all similar weak lensing surveys. We find that using colour cuts that are not available to the weak lensing galaxies can introduce biases of up to Δz ∼ 0.04 in the weighted mean redshift of different redshift intervals (Δz ∼ 0.015 in the case most relevant to DES). To assess the impact of incompleteness in spectroscopic samples, we select only objects with high observer-defined confidence flags and compare the weighted mean redshift with the true mean. We find that the mean redshift of the DES Y1 weak lensing sample is typically biased at the Δz = 0.005−0.05 level after the weighting is applied. The bias we uncover can have either sign, depending on the samples and redshift interval considered. For the highest redshift bin, the bias is larger than the uncertainties in the other DES Y1 redshift calibration methods, justifying the decision of not using this method for the redshift estimations. We discuss several methods to mitigate this bias.
Mapping the underlying density field, including non-visible dark matter, using weak gravitational lensing measurements is now a standard tool in cosmology. Due to its importance to the science ...results of current and upcoming surveys, the quality of the convergence reconstruction methods should be well understood. We compare three methods: Kaiser–Squires (KS), Wiener filter, and Glimpse. Kaiser–Squires is a direct inversion, not accounting for survey masks or noise. The Wiener filter is well-motivated for Gaussian density fields in a Bayesian framework. Glimpse uses sparsity, aiming to reconstruct non-linearities in the density field. We compare these methods with several tests using public Dark Energy Survey (DES) Science Verification (SV) data and realistic DES simulations. The Wiener filter and Glimpse offer substantial improvements over smoothed Kaiser–Squires with a range of metrics. Both the Wiener filter and Glimpse convergence reconstructions show a 12 percent improvement in Pearson correlation with the underlying truth from simulations. To compare the mapping methods’ abilities to find mass peaks, we measure the difference between peak counts from simulated ΛCDM shear catalogues and catalogues with no mass fluctuations (a standard data vector when inferring cosmology from peak statistics); the maximum signal-to-noise of these peak statistics is increased by a factor of 3.5 for the Wiener filter and 9 for Glimpse. With simulations, we measure the reconstruction of the harmonic phases; the phase residuals’ concentration is improved 17 percent by Glimpse and 18 percent by the Wiener filter. The correlationbetween reconstructions from data and foreground redMaPPer clusters is increased 18 percent by the Wiener filter and 32 percent by Glimpse.
ABSTRACT
We present a sample of 706, z < 1.5 active galactic nuclei (AGNs) selected from optical photometric variability in three of the Dark Energy Survey (DES) deep fields (E2, C3, and X3) over an ...area of 4.64 deg2. We construct light curves using difference imaging aperture photometry for resolved sources and non-difference imaging PSF photometry for unresolved sources, respectively, and characterize the variability significance. Our DES light curves have a mean cadence of 7 d, a 6-yr baseline, and a single-epoch imaging depth of up to g ∼ 24.5. Using spectral energy distribution (SED) fitting, we find 26 out of total 706 variable galaxies are consistent with dwarf galaxies with a reliable stellar mass estimate ($M_{\ast }\lt 10^{9.5}\, {\rm M}_\odot$; median photometric redshift of 0.9). We were able to constrain rapid characteristic variability time-scales (∼ weeks) using the DES light curves in 15 dwarf AGN candidates (a subset of our variable AGN candidates) at a median photometric redshift of 0.4. This rapid variability is consistent with their low black hole (BH) masses. We confirm the low-mass AGN nature of one source with a high S/N optical spectrum. We publish our catalogue, optical light curves, and supplementary data, such as X-ray properties and optical spectra, when available. We measure a variable AGN fraction versus stellar mass and compare to results from a forward model. This work demonstrates the feasibility of optical variability to identify AGNs with lower BH masses in deep fields, which may be more ‘pristine’ analogues of supermassive BH seeds.
Abstract
We describe a multicomponent matched filter (MCMF) cluster confirmation tool designed for the study of large X-ray source catalogues produced by the upcoming X-ray all-sky survey mission ...eROSITA. We apply the method to confirm a sample of 88 clusters with redshifts 0.05 < z < 0.8 in the recently published 2RXS catalogue from the ROSAT All-Sky Survey (RASS) over the 208 deg2 region overlapped by the Dark Energy Survey (DES) Science Verification (DES-SV) data set. In our pilot study, we examine all X-ray sources, regardless of their extent. Our method employs a multicolour red sequence (RS) algorithm that incorporates the X-ray count rate and peak position in determining the region of interest for follow-up and extracts the positionally and colour-weighted optical richness λMCMF as a function of redshift for each source. Peaks in the λMCMF–redshift distribution are identified and used to extract photometric redshifts, richness and uncertainties. The significances of all optical counterparts are characterized using the distribution of richnesses defined along random lines of sight. These significances are used to extract cluster catalogues and to estimate the contamination by random superpositions of unassociated optical systems. The delivered photometric redshift accuracy is δz/(1 + z) = 0.010. We find a well-defined X-ray luminosity–λMCMF relation with an intrinsic scatter of δln (λMCMF|Lx) = 0.21. Matching our catalogue with the DES-SV redMaPPer catalogue yields good agreement in redshift and richness estimates; comparing our catalogue with the South Pole Telescope (SPT) selected clusters shows no inconsistencies. SPT clusters in our data set are consistent with the high-mass extension of the RASS-based λMCMF–mass relation.
We present a study of NGC 4993, the host galaxy of the GW170817 gravitational-wave event, the GRB 170817A short gamma-ray burst (sGRB), and the AT 2017gfo kilonova. We use Dark Energy Camera imaging, ...AAT spectra, and publicly available data, relating our findings to binary neutron star (BNS) formation scenarios and merger delay timescales. NGC 4993 is a nearby early-type galaxy, with an i-band Sérsic index n = 4.0 and low asymmetry (A = 0.04 0.01). These properties are unusual for sGRB hosts. However, NGC 4993 presents shell-like structures and dust lanes indicative of a recent galaxy merger, with the optical transient located close to a shell. We constrain the star formation history (SFH) of the galaxy assuming that the galaxy merger produced a star formation burst, but find little to no ongoing star formation in either spatially resolved broadband SED or spectral fitting. We use the best-fit SFH to estimate the BNS merger rate in this type of galaxy, as . If star formation is the only considered BNS formation scenario, the expected number of BNS mergers from early-type galaxies detectable with LIGO during its first two observing seasons is , as opposed to ∼0.5 from all galaxy types. Hypothesizing that the binary formed due to dynamical interactions during the galaxy merger, the subsequent time elapsed can constrain the delay time of the BNS coalescence. By using velocity dispersion estimates and the position of the shells, we find that the galaxy merger occurred tmer 200 Myr prior to the BNS coalescence.
Abstract
We present a detailed chemical abundance analysis of the brightest star in the ultrafaint dwarf (UFD) galaxy candidate Cetus II from high-resolution Magellan/MIKE spectra. For this star, DES ...J011740.53-173053, abundances or upper limits of 18 elements from carbon to europium are derived. Its chemical abundances generally follow those of other UFD galaxy stars, with a slight enhancement of the
α
-elements (Mg, Si, and Ca) and low neutron-capture element (Sr, Ba, and Eu) abundances supporting the classification of Cetus II as a likely UFD. The star exhibits lower Sc, Ti, and V abundances than Milky Way (MW) halo stars with similar metallicity. This signature is consistent with yields from a supernova originating from a star with a mass of ∼11.2
M
⊙
. In addition, the star has a potassium abundance of K/Fe = 0.81, which is somewhat higher than the K abundances of MW halo stars with similar metallicity, a signature that is also present in a number of UFD galaxies. A comparison including globular clusters and stellar stream stars suggests that high K is a specific characteristic of some UFD galaxy stars and can thus be used to help classify objects as UFD galaxies.
This paper proposes an advanced strategy to synchronize the wind-driven Brushless Doubly-Fed Reluctance Generator (BDFRG) to the grid-side terminals. The proposed strategy depends mainly upon ...determining the electrical angle of the grid voltage, θv and using the same transformation matrix of both the power winding and grid sides to ensure that the generated power-winding voltage has the same phase-sequence of the grid-side voltage. On the other hand, the paper proposes a vector-control (power-winding flux orientation) technique for maximum wind-power extraction under two schemes summarized as; unity power-factor operation and minimum converter-current. Moreover, a soft-starting method is suggested to avoid the employed converter over-current. The first control scheme is achieved by adjusting the command power-winding reactive power at zero for a unity power-factor operation. However, the second scheme depends on setting the command d-axis control-winding current at zero to maximize the ratio of the generator electromagnetic-torque per the converter current. This enables the system to get a certain command torque under minimum converter current. A sample of the obtained simulation and experimental results is presented to check the effectiveness of the proposed control strategies.
•This paper proposes an advanced strategy to synchronize the wind-driven Brushless Doubly-Fed Reluctance Generator (BDFRG) to the grid-side terminals.•On the other hand, the paper proposes a vector-control technique for maximum wind-power extraction under two different schemes (unity power-factor operation and minimum converter-current).•Moreover, a soft-starting method is suggested to avoid the employed converter over-current.•A sample of the obtained simulation and experimental results is presented to check the effectiveness of the proposed control strategies.
Patients with type II diabetes exhibit fibrillar deposits of human amylin protein in the pancreas. It has been proposed that amylin oligomers arising along the aggregation or fibril-formation ...pathways are important in the genesis of the disease. In a step toward understanding these aggregation pathways, in this work we report the conformational preferences of human amylin monomer in solution using molecular simulations and infrared experiments. In particular, we identify a stable conformer that could play a key role in aggregation. We find that amylin adopts three stable conformations: one with an
α-helical segment comprising residues 9–17 and a short antiparallel
β-sheet comprising residues 24–28 and 31–35; one with an extended antiparallel
β-hairpin with the turn region comprising residues 20–23; and one with no particular structure. Using detailed calculations, we determine the relative stability of these various conformations, finding that the
β-hairpin conformation is the most stable, followed by the
α-helical conformation, and then the unstructured coil. To test our predicted structure, we calculate its infrared spectrum in the amide I stretch regime, which is sensitive to secondary structure through vibrational couplings and linewidths, and compare it to experiment. We find that theoretically predicted spectra are in good agreement with the experimental line shapes presented herein. The implications of the monomer secondary structures on its aggregation pathway and on its interaction with cell membranes are discussed.
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