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DOE OSTI2016

Water accessibility in a membrane-inserting peptide comparing Overhauser DNP and pulse EPR methods

Water accessibility is a key parameter for the understanding of the structure of biomolecules, especially membrane proteins. Several experimental techniques based on the combination of electron paramagnetic resonance (EPR) spectroscopy with site-directed spin labeling are currently available. Among those, we compare relaxation time measurements and electron spin echo envelope modulation (ESEEM) experiments using pulse EPR with Overhauser dynamic nuclear polarization (DNP) at X-band frequency and a magnetic field of 0.33 T. Overhauser DNP transfers the electron spin polarization to nuclear spins via cross-relaxation. The change in the intensity of the {sup 1}H NMR spectrum of H{sub 2}O at a Larmor frequency of 14 MHz under a continuous-wave microwave irradiation of the nitroxide spin label contains information on the water accessibility of the labeled site. As a model system for a membrane protein, we use the hydrophobic α-helical peptide WALP23 in unilamellar liposomes of DOPC. Water accessibility measurements with all techniques are conducted for eight peptides with different spin label positions and low radical concentrations (10–20 μM). Consistently in all experiments, the water accessibility appears to be very low, even for labels positioned near the end of the helix. The best profile is obtained by Overhauser DNP, which is the only technique that succeeds in discriminating neighboring positions in WALP23. Since the concentration of the spin-labeled peptides varied, we normalized the DNP parameter ϵ, being the relative change of the NMR intensity, by the electron spin concentration, which was determined from a continuous-wave EPR spectrum.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Ejection of the Massive Hydrogen-rich Envelope Timed with the Collapse of the Stripped SN 2014C

We present multi-wavelength observations of SN 2014C during the first 500 days. These observations represent the first solid detection of a young extragalactic stripped-envelope SN out to high-energy X-rays ∼40 keV. SN 2014C shows ordinary explosion parameters ( E {sub k} ∼ 1.8 × 10{sup 51} erg and M {sub ej} ∼ 1.7 M{sub ⊙}). However, over an ∼1 year timescale, SN 2014C evolved from an ordinary hydrogen-poor supernova into a strongly interacting, hydrogen-rich supernova, violating the traditional classification scheme of type-I versus type-II SNe. Signatures of the SN shock interaction with a dense medium are observed across the spectrum, from radio to hard X-rays, and revealed the presence of a massive shell of ∼1 M {sub ⊙} of hydrogen-rich material at ∼6 × 10{sup 16} cm. The shell was ejected by the progenitor star in the decades to centuries before collapse. This result challenges current theories of massive star evolution, as it requires a physical mechanism responsible for the ejection of the deepest hydrogen layer of H-poor SN progenitors synchronized with the onset of stellar collapse. Theoretical investigations point at binary interactions and/or instabilities during the last nuclear burning stages as potential triggers of the highly time-dependent mass loss. We constrain these scenarios utilizing the sample of 183 SNe Ib/c with public radio observations. Our analysis identifies SN 2014C-like signatures in ∼10% of SNe. This fraction is reasonably consistent with the expectation from the theory of recent envelope ejection due to binary evolution if the ejected material can survive in the close environment for 10{sup 3}–10{sup 4} years. Alternatively, nuclear burning instabilities extending to core C-burning might play a critical role.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Local perturbations of the upper layers of a sun-like star: The impact on the acoustic oscillation spectrum

In the last decade, the quality and the amount of observational asteroseismic data that has been made available by space based missions had a tremendous upgrowth. The determination of asteroseismic parameters to estimate the fundamental physical processes occurring in stars' interiors can be done today in a way that has never been possible before. In this work, we propose to compute the seismic observable β, which is a proxy of the phase shift of the acoustic modes propagating in the envelope of the Sun-like stars. This seismic parameter β can be used to identify rapid variation regions usually known as glitches. We show that a small variation in the structure, smaller than 1% in the sound speed, produces a glitch in the acoustic potential that could explain the oscillatory character of β. This method allows us to determine the location and the thickness of the glitch with precision. We applied this idea to the Sun-like star α Centauri A and found a glitch located at approximately 0.94 R (1400 s) and with a thickness of 0.2% of the stars' radius. This is fully consistent with the data and also validates other seismic tests.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Gemini/GMOS Transmission Spectroscopy of the Grazing Planet Candidate WD 1856+534 b

WD 1856+534 b is a Jupiter-sized, cool giant planet candidate transiting the white dwarf WD 1856+534. Here, we report an optical transmission spectrum of WD 1856+534 b obtained from ten transits using the Gemini Multi Object Spectrograph. This system is challenging to observe due to the faintness of the host star and the short transit duration. Nevertheless, our phase-folded white light curve reached a precision of 0.12%. WD 1856+534 b provides a unique transit configuration compared to other known exoplanets: the planet is 8x larger than its star and occults over half of the stellar disk during mid-transit. Consequently, many standard modeling assumptions do not hold. We introduce the concept of a “limb darkening corrected, time-averaged transmission spectrum” and propose that this is more suitable than (R pλ /R s ) 2 for comparisons to atmospheric models for planets with grazing transits. We also present a modified radiative transfer prescription. Though the transmission spectrum shows no prominent absorption features, it is sufficiently precise to constrain the mass of WD 1856+534 b to be >0.84 M J (to 2σ confidence), assuming a clear atmosphere and a Jovian composition. High-altitude cloud decks can allow lower masses. WD 1856+534 b could have formed either as a result of common envelope evolution or migration under the Kozai–Lidov mechanism. Further studies of WD 1856+534 b, alongside new dedicated searches for substellar objects around white dwarfs, will shed further light on the mysteries of post-main-sequence planetary systems.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Nonlinear structures and anomalous transport in partially magnetized E×B plasmas

Nonlinear dynamics of the electron-cyclotron instability driven by the electron E x B current in a crossed electric and magnetic field is studied. In the nonlinear regime, the instability proceeds by developing a large amplitude coherent wave driven by the energy input from the fundamental cyclotron resonance. Further evolution shows the formation of the long wavelength envelope akin to the modulational instability. Simultaneously, the ion density shows the development of a high-k content responsible for wave focusing and sharp peaks on the periodic cnoidal wave structure. Here, it is shown that the anomalous electron transport (along the direction of the applied electric field) is dominated by the long wavelength part of the turbulent spectrum.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2013

UNVEILING THE DUST NUCLEATION ZONE OF IRC+10216 WITH ALMA

We report the detection in IRC+10216 of lines of HNC J = 3 – 2 pertaining to nine excited vibrational states with energies up to ∼5300 K. The spectrum, observed with ALMA, also shows a surprising large number of narrow, unidentified lines that arise in the vicinity of the star. The HNC data are interpreted through a 1D-spherical non-local radiative transfer model, coupled to a chemical model that includes chemistry at thermochemical equilibrium for the innermost regions and reaction kinetics for the external envelope. Although unresolved by the current early ALMA data, the radius inferred for the emitting region is ∼0.''06 (i.e., ≅ 3 stellar radii), similar to the size of the dusty clumps reported by IR studies of the innermost region (r < 0.''3). The derived abundance of HNC relative to H{sub 2} is 10{sup –8} < χ(HNC) <10{sup –6}, and drops quickly where the gas density decreases and the gas chemistry is dominated by reaction kinetics. Merging HNC data with that of molecular species present throughout the inner envelope, such as vibrationally excited HCN, SiS, CS, or SiO, should allow us to characterize the physical and chemical conditions in the dust formation zone.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Manganese Binding Properties of Human Calprotectin under Conditions of High and Low Calcium: X-ray Crystallographic and Advanced Electron Paramagnetic Resonance Spectroscopic Analysis

The antimicrobial protein calprotectin (CP), a hetero-oligomer of the S100 family members S100A8 and S100A9, is the only identified mammalian Mn(II)-sequestering protein. Human CP uses Ca(II) ions to tune its Mn(II) affinity at a biologically unprecedented hexahistidine site that forms at the S100A8/S100A9 interface, and the molecular basis for this phenomenon requires elucidation. Here in this paper, we investigate the remarkable Mn(II) coordination chemistry of human CP using X-ray crystallography as well as continuous-wave (CW) and pulse electron paramagnetic resonance (EPR) spectroscopies. An X-ray crystallographic structure of Mn(II)-CP containing one Mn(II), two Ca(II), and two Na(I) ions per CP heterodimer is reported. The CW EPR spectrum of Ca(II)- and Mn(II)-bound CP prepared with a 10:0.9:1 Ca(II):Mn(II):CP ratio is characterized by an unusually low zero-field splitting of 485 MHz (E/D = 0.30) for the S = 5/2 Mn(II) ion, consistent with the high symmetry of the His6 binding site observed crystallographically. Results from electron spin–echo envelope modulation and electron–nuclear double resonance experiments reveal that the six Mn(II)-coordinating histidine residues of Ca(II)- and Mn(II)-bound CP are spectroscopically equivalent. The observed 15 N (I = 1/2) hyperfine couplings (A) arise from two distinct classes of nitrogen atoms: the coordinating ε-nitrogen of the imidazole ring of each histidine ligand (A = [3.45, 3.71, 5.91] MHz) and the distal δ-nitrogen (A = [0.11, 0.18, 0.42] MHz). In the absence of Ca(II), the binding affinity of CP for Mn(II) drops by two to three orders of magnitude and coincides with Mn(II) binding at the His6 site as well as other sites. This study demonstrates the role of Ca(II) in enabling high-affinity and specific binding of Mn(II) to the His 6 site of human calprotectin.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

Hydrogen at zinc vacancy of ZnO: An EPR and ESEEM study

An electron paramagnetic resonance (EPR) spectrum, labeled S1, with small-splitting doublet accompanied by weak satellites is observed in ZnO irradiated with 2 MeV electrons. The obtained structure is shown to be the hyperfine structure due to the dipolar interaction between an unpaired electron spin and a nuclear spin of hydrogen (H). The observation of the nuclear Zeeman frequency of H in electron spin echo envelope modulation experiments further confirmed the presence of a hydrogen atom in S1. From the observed spin-Hamiltonian parameters, S1 is identified to be the partly H-passivated Zn vacancy, V{sub Zn}{sup −}H{sup +}, with the H{sup +} ion making a short O-H bond with only one nearest O neighbor of V{sub Zn} in the basal plane, being off the substitutional site, while the unpaired electron spin, which gives rise to the observed EPR signal, is localized on the p orbital of another O neighbor also in the basal plane.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2017

Broad-lined Supernova 2016coi with a Helium Envelope

We present the early-phase spectra and the light curves of the broad-lined (BL) supernova (SN) 2016coi from t = 7 to 67 days after the estimated explosion date. This SN was initially reported as a BL Type SN Ic (SN Ic-BL). However, we found that spectra up to t = 12 days exhibited the He i λ 5876, λ 6678, and λ 7065 absorption lines. We show that the smoothed and blueshifted spectra of normal SNe Ib are remarkably similar to the observed spectrum of SN 2016coi. The line velocities of SN 2016coi were similar to those of SNe Ic-BL and significantly faster than those of SNe Ib. Analyses of the line velocity and light curve suggest that the kinetic energy and the total ejecta mass of SN 2016coi are similar to those of SNe Ic-BL. Together with BL SNe 2009bb and 2012ap, for which the detection of He i was also reported, these SNe could be transitional objects between SNe Ic-BL and SNe Ib, and be classified as BL Type “Ib” SNe (SNe “Ib”-BL). Our work demonstrates the diversity of the outermost layer in BL SNe, which should be related to the variety of the evolutionary paths.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Disruption of a red giant star by a supermassive black hole and the case of PS1-10jh

The development of a new generation of theoretical models for tidal disruptions is timely, as increasingly diverse events are being captured in surveys of the transient sky. Recently, Gezari et al. reported a discovery of a new class of tidal disruption events: the disruption of a helium-rich stellar core, thought to be a remnant of a red giant (RG) star. Motivated by this discovery and in anticipation of others, we consider tidal interaction of an RG star with a supermassive black hole (SMBH) which leads to the stripping of the stellar envelope and subsequent inspiral of the compact core toward the black hole. Once the stellar envelope is removed the inspiral of the core is driven by tidal heating as well as the emission of gravitational radiation until the core either falls into the SMBH or is tidally disrupted. In the case of the tidal disruption candidate PS1-10jh, we find that there is a set of orbital solutions at high eccentricities in which the tidally stripped hydrogen envelope is accreted by the SMBH before the helium core is disrupted. This places the RG core in a portion of parameter space where strong tidal heating can lift the degeneracy of the compact remnant and disrupt it before it reaches the tidal radius. We consider how this sequence of events explains the puzzling absence of the hydrogen emission lines from the spectrum of PS1-10jh and gives rise to its other observational features.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

COMPUTATIONAL MODELING OF THE CLASS I LOW-MASS PROTOSTAR ELIAS 29 APPLYING OPTICAL CONSTANTS OF ICES PROCESSED BY HIGH ENERGY COSMIC RAY ANALOGS

We present a study of the effects of high energy cosmic rays (CRs) over the astrophysical ices, observed toward the embedded class I protostar Elias 29, by using computational modeling and laboratory data. Its spectrum was observed with the Infrared Space Observatory (ISO) covering 2.3–190 μm. The modeling employed the three-dimensional Monte Carlo radiative transfer code RADMC-3D and laboratory data of bombarded ice grains by CR analogs and unprocessed ices (not bombarded). We are assuming that Elias 29 has a self-irradiated disk with inclination i = 60.°0, surrounded by an envelope with a bipolar cavity. The results show that absorption features toward Elias 29 are better reproduced by assuming a combination between unprocessed astrophysical ices at low temperature (H{sub 2}O, CO, CO{sub 2}) and bombarded ices (H{sub 2}O:CO{sub 2}) by high energy CRs. Evidences of the ice processing around Elias 29 can be observed by the good fitting around 5.5–8.0 μm, by polar and apolar ice segregation in 15.15–15.25 μm, and by the presence of the CH{sub 4} and HCOOH ices. Given that non-nitrogen compounds were employed in this work, we assume that absorption around 5.5–8.0 μm should not be associated with the NH{sub 4}{sup +} ion (see the 2003 work of Shutte and Khanna ), but more probably with aliphatic ethers (e.g., R1-OCH{sub 2}-R2), CH{sub 3}CHO, and related species. The results obtained in this paper are important because they show that the environment around protostars is better modeled considering processed samples and, consequently, demonstrate the chemical evolution of the astrophysical ices.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

HATS-7b: A HOT SUPER NEPTUNE TRANSITING A QUIET K DWARF STAR

We report the discovery by the HATSouth network of HATS-7b, a transiting Super-Neptune with a mass of 0.120 ± 0.012 M{sub J}, a radius of 0.563{sub −0.034}{sup +0.046} R{sub J}, and an orbital period of 3.1853 days. The host star is a moderately bright (V=13.340 ± 0.010 mag, K{sub S}=10.976 ± 0.026 mag) K dwarf star with a mass of 0.849 ± 0.027 M{sub ⊙}, a radius of 0.815{sub −0.035}{sup +0.049} R{sub ⊙}, and a metallicity of [Fe/H] =+0.250 ± 0.080. The star is photometrically quiet to within the precision of the HATSouth measurements, has low RV jitter, and shows no evidence for chromospheric activity in its spectrum. HATS-7b is the second smallest radius planet discovered by a wide-field ground-based transit survey, and one of only a handful of Neptune-size planets with mass and radius determined to 10% precision. Theoretical modeling of HATS-7b yields a hydrogen–helium fraction of 18 ± 4% (rock-iron core and H{sub 2}–He envelope), or 9 ± 4% (ice core and H{sub 2}–He envelope), i.e., it has a composition broadly similar to that of Uranus and Neptune, and very different from that of Saturn, which has 75% of its mass in H{sub 2}–He. Based on a sample of transiting exoplanets with accurately (<20%) determined parameters, we establish approximate power-law relations for the envelopes of the mass–density distribution of exoplanets. HATS-7b, which, together with the recently discovered HATS-8b, is one of the first two transiting super-Neptunes discovered in the Southern sky, is a prime target for additional follow-up observations with Southern hemisphere facilities to characterize the atmospheres of Super-Neptunes (which we define as objects with mass greater than that of Neptune, and smaller than halfway between that of Neptune and Saturn, i.e., 0.054 M{sub J}<M{sub p}<0.18 M{sub J}).

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

Maximum Current of the NSLS-II Linac

The maximum current of the NSLS-II linac is an important operational parameter for determining the safety envelope of the acceleration. In this document we establish the maximum current of the NSLS-II linac. First we establish the maximum current that can be emitted by the gun and the parameters that limit this. Then we show that beam loading in the linac further limits the current available at the exit of the linac. Beam loading also determines the energy spectrum of the beam at the end of the linac. Once the maximum current at the exit of the linac is established, we transport this beam through the linac to booster transport line using the designed optics which will match the beam from the linac into the booster. This will determine the maximum current that can be delivered to the booster accelerator from the linac.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Maximum Current of the NSLS-II Linac

36 MATERIALS SCIENCE↗

DOE OSTI2017

Abundant Methanol Ice toward a Massive Young Stellar Object in the Central Molecular Zone

Previous radio observations revealed widespread gas-phase methanol (CH{sub 3}OH) in the Central Molecular Zone (CMZ) at the Galactic center (GC), but its origin remains unclear. Here, we report the discovery of CH{sub 3}OH ice toward a star in the CMZ, based on a Subaru 3.4–4.0 μm spectrum, aided by NASA/IRTF L{sup ′} imaging and 2–4 μm spectra. The star lies ∼8000 au away in projection from a massive young stellar object (MYSO). Its observed high CH{sub 3}OH ice abundance (17%±3% relative to H{sub 2}O ice) suggests that the 3.535 μm CH{sub 3}OH ice absorption likely arises in the MYSO’s extended envelope. However, it is also possible that CH{sub 3}OH ice forms with a higher abundance in dense clouds within the CMZ, compared to within the disk. Either way, our result implies that gas-phase CH{sub 3}OH in the CMZ can be largely produced by desorption from icy grains. The high solid CH{sub 3}OH abundance confirms the prominent 15.4 μm shoulder absorption observed toward GC MYSOs arises from CO{sub 2} ice mixed with CH{sub 3}OH.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2012

THE FIRST DETECTION OF THE 232 GHz VIBRATIONALLY EXCITED H{sub 2}O MASER IN ORION KL WITH ALMA

We investigated the ALMA science verification data of Orion KL and found a spectral signature of the vibrationally excited H{sub 2}O maser line at 232.68670 GHz ({nu}{sub 2} = 1, 5{sub 5,0}-6{sub 4,3}). This line has been detected previously in circumstellar envelopes of late-type stars but not in young stellar objects such as Orion KL. Thus, this is the first detection of the 232 GHz vibrationally excited H{sub 2}O maser in star-forming regions. The distribution of the 232 GHz maser is concentrated at the position of the radio Source I, which is remarkably different from other molecular lines. The spectrum shows a double-peak structure at the peak velocities of -2.1 and 13.3 km s{sup -1}. It appears to be consistent with the 22 GHz H{sub 2}O masers and 43 GHz SiO masers observed around Source I. Thus, the 232 GHz H{sub 2}O maser around Source I would be excited by the internal heating by an embedded protostar, being associated with either the root of the outflows/jets or the circumstellar disk around Source I, as traced by the 22 GHz H{sub 2}O masers or 43 GHz SiO masers, respectively.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Fast-rising blue optical transients and AT2018cow following electron-capture collapse of merged white dwarfs

We suggest that fast-rising blue optical transients (FBOTs) and the brightest event of the class, AT2018cow, result from an electron-capture collapse to a neutron star following the merger of a massive ONeMg white dwarf (WD) with another WD. Two distinct evolutionary channels lead to the disruption of the less-massive WD during the merger and the formation of a shell-burning non-degenerate star incorporating the ONeMg core. During the shell-burning stage, a large fraction of the envelope is lost to the wind, while mass and angular momentum are added to the core. As a result, the electron-capture collapse occurs with a small envelope mass, after ~10 2 –10 4 yr. During the formation of a neutron star, as little as |${\sim } 10^{-2} \, \mathrm{M}_\odot$| of the material is ejected at the bounce-off with mildly relativistic velocities and total energy of about a few 10 50 erg. This ejecta becomes optically thin on a time-scale of days – this is the FBOT. During the collapse, the neutron star is spun up and the magnetic field is amplified. The ensuing fast magnetically dominated relativistic wind from the newly formed neutron star shocks against the ejecta, and later against the wind. The radiation-dominated forward shock produces the long-lasting optical afterglow, while the termination shock of the relativistic wind produces the high-energy emission in a manner similar to pulsar wind nebulae. If the secondary WD was of the DA type, the wind will likely have |${\sim } 10^{-4} \, \mathrm{M}_\odot$| of hydrogen; this explains the appearance of hydrogen late in the afterglow spectrum. The model explains many of the puzzling properties of FBOTs/AT2018cow: host galaxies, a fast and light anisotropic ejecta producing a bright optical peak, afterglow high-energy emission of similar luminosity to the optical, and late infrared features.

Astronomy & Astrophysics↗

DOE OSTI2015

OH 18 cm TRANSITION AS A THERMOMETER FOR MOLECULAR CLOUDS

We have observed the four hyperfine components of the 18 cm OH transition toward the translucent cloud eastward of Heiles Cloud 2 (HCL2E), the cold dark cloud L134N, and the photodissociation region of the ρ-Ophiuchi molecular cloud with the Effelsberg 100 m telescope. We have found intensity anomalies among the hyperfine components in all three regions. In particular, an absorption feature of the 1612 MHz satellite line against the cosmic microwave background has been detected toward HCL2E and two positions of the ρ-Ophiuchi molecular cloud. On the basis of statistical equilibrium calculations, we find that the hyperfine anomalies originate from the non-LTE population of the hyperfine levels, and can be used to determine the kinetic temperature of the gas over a wide range of H{sub 2} densities (10{sup 2}–10{sup 7} cm{sup −3}). Toward the center of HCL2E, the gas kinetic temperature is determined to be 53 ± 1 K, and it increases toward the cloud peripheries (∼60 K). The ortho-to-para ratio of H{sub 2} is determined to be 3.5 ± 0.9 from the averaged spectrum for the eight positions. In L134N, a similar increase of the temperature is also seen toward the periphery. In the ρ-Ophiuchi molecular cloud, the gas kinetic temperature decreases as a function of the distance from the exciting star HD 147889. These results demonstrate a new aspect of the OH 18 cm line that can be used as a good thermometer of molecular cloud envelopes. The OH 18 cm line can be used to trace a new class of warm molecular gas surrounding a molecular cloud, which is not well traced by the emission of CO and its isotopologues.

79 ASTRONOMY AND ASTROPHYSICS↗