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At least 1,747 records · Page 97

Shifting Sands: Modulating Interactions and Outputs of the CHIP‐Hsp70/HOP‐Hsp70 Protein Quality Control Complexes

The 70‐kilodalton heat shock protein (Hsp70) interacts with tetratricopeptide repeat (TPR) domains of CHIP (C‐terminus of Hsp70 Interacting Protein) and HOP (Hsp Organizing Protein) using a two‐carboxylate clamp binding mechanism. Differential affinity for the TPR domains of CHIP and HOP are achieved through interactions with the six residues preceding the carboxy‐terminal Asp 641 of Hsp70. In particular, phosphorylation of Hsp70 Thr 636 produces a dramatic swing in binding affinities that shift preferential formation of CHIP/Hsp70 complexes to preferential formation of HOP/Hsp70 complexes. Given that CHIP‐Hsp70 complexes promote ubiquitin‐mediated degradation of Hsp70‐chaperoned clients while HOP‐Hsp70 complexes promote refolding of Hsp70‐chaperoned clients, phosphorylation of Hsp70 Thr 636 acts as a switch that directs the output and function of cellular protein quality control. Herein, through biophysical assays and new structures of CHIP‐Hsp70 and Hop‐Hsp70 we identify the molecular mechanism that enables phosphorylation‐driven switching that directs interactions within the CHIP‐Hsp70/HOP‐Hsp70 protein quality control complexes. We also present a structure‐guided mutation of Hsp70 that bypasses Thr 636 phosphorylation‐driven switching by recovering affinity of CHIP for phosphorylated Hsp70, thereby redirecting Hsp70 to preferentially bind to CHIP. This structure‐guided mutation corrects a binding defect present in wild type CHIP and provides a system for studying the effect of shifting output of the CHIP‐Hsp70/HOP‐Hsp70 protein quality control complexes toward chaperoned ubiquitination via the CHIP‐Hsp70 complex. Support or Funding Information The authors acknowledge financial support from the US National Science Foundation (Award No. MCB 1552113 to RCP), the American Heart Association (Award No. 16SDG26960000 to RCP), the Burroughs Wellcome Fund (Award No. 1014031 to RCP), and institutional support from Miami University through the Robert H. and Nancy J. Blayney Professorship (to RCP). The Advanced Light Source is supported by the US Department of Energy under contract number DE‐AC03‐76SF00098 at Lawrence Berkeley National Laboratory.

Page, Richard C.↗

Hood River Passive House, Hood River, Oregon (Fact Sheet)

The Hood River Passive Project was developed by Root Design Build of Hood River Oregon using the Passive House Planning Package (PHPP) to meet all of the requirements for certification under the European Passive House standards. The Passive House design approach has been gaining momentum among residential designers for custom homes and BEopt modeling indicates that these designs may actually exceed the goal of the U.S. Department of Energy's (DOE) Building America program to "reduce home energy use by 30%-50%" (compared to 2009 energy codes for new homes). This report documents the short term test results of the Shift House and compares the results of PHPP and BEopt modeling of the project. The design includes high R-Value assemblies, extremely tight construction, high performance doors and windows, solar thermal DHW, heat recovery ventilation, moveable external shutters and a high performance ductless mini-split heat pump. Cost analysis indicates that many of the measures implemented in this project did not meet the BA standard for cost neutrality. The ductless mini-split heat pump, lighting and advanced air leakage control were the most cost effective measures. The future challenge will be to value engineer the performance levels indicated here in modeling using production based practices at a significantly lower cost.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Hood River Passive House

The Hood River Passive Project was developed by Root Design Build of Hood River Oregon using the Passive House Planning Package (PHPP) to meet all of the requirements for certification under the European Passive House standards. The Passive House design approach has been gaining momentum among residential designers for custom homes and BEopt modeling indicates that these designs may actually exceed the goal of the U.S. Department of Energy's (DOE) Building America program to reduce home energy use by 30%-50% (compared to 2009 energy codes for new homes). This report documents the short term test results of the Shift House and compares the results of PHPP and BEopt modeling of the project. The design includes high R-Value assemblies, extremely tight construction, high performance doors and windows, solar thermal DHW, heat recovery ventilation, moveable external shutters and a high performance ductless mini-split heat pump. Cost analysis indicates that many of the measures implemented in this project did not meet the BA standard for cost neutrality. The ductless mini-split heat pump, lighting and advanced air leakage control were the most cost effective measures. The future challenge will be to value engineer the performance levels indicated here in modeling using production based practices at a significantly lower cost.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Hood River Passive House

The Hood River Passive Project was developed by Root Design Build of Hood River Oregon using the Passive House Planning Package (PHPP) to meet all of the requirements for certification under the European Passive House standards. The Passive House design approach has been gaining momentum among residential designers for custom homes and BEopt modeling indicates that these designs may actually exceed the goal of the U.S. Department of Energy's (DOE) Building America program to "reduce home energy use by 30%-50% (compared to 2009 energy codes for new homes). This report documents the short term test results of the Shift House and compares the results of PHPP and BEopt modeling of the project. The design includes high R-Value assemblies, extremely tight construction, high performance doors and windows, solar thermal DHW, heat recovery ventilation, moveable external shutters and a high performance ductless mini-split heat pump. Cost analysis indicates that many of the measures implemented in this project did not meet the BA standard for cost neutrality. The ductless mini-split heat pump, lighting and advanced air leakage control were the most cost effective measures. The future challenge will be to value engineer the performance levels indicated here in modeling using production based practices at a significantly lower cost.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

New Whole-House Solutions Case Study: Hood River Passive House

The Hood River Passive Project was developed by Root Design Build of Hood River Oregon using the Passive House Planning Package (PHPP) to meet all of the requirements for certification under the European Passive House standards. The Passive House design approach has been gaining momentum among residential designers for custom homes and BEopt modeling indicates that these designs may actually exceed the goal of the U.S. Department of Energy's (DOE) Building America program to "reduce home energy use by 30%-50%" (compared to 2009 energy codes for new homes). This report documents the short term test results of the Shift House and compares the results of PHPP and BEopt modeling of the project. The design includes high R-Value assemblies, extremely tight construction, high performance doors and windows, solar thermal DHW, heat recovery ventilation, moveable external shutters and a high performance ductless mini-split heat pump. Cost analysis indicates that many of the measures implemented in this project did not meet the BA standard for cost neutrality. The ductless mini-split heat pump, lighting and advanced air leakage control were the most cost effective measures. The future challenge will be to value engineer the performance levels indicated here in modeling using production based practices at a significantly lower cost.

BA-PIRC↗

Equations of State and Anisotropy of Fe-Ni-Si Alloys

We present powder X–ray diffraction data on body centered cubic (bcc)– and hexagonal close packed (hcp)–structured Fe 0.91 Ni 0.09 and Fe 0.8 Ni 0.1 Si 0.1 at 300 K up to 167 and 175 GPa, respectively. The alloys were loaded with tungsten powder as a pressure calibrant and helium as a pressure transmitting medium into diamond anvil cells, and their equations of state and axial ratios were measured with high statistical quality. These equations of state are combined with thermal parameters from previous reports to improve the extrapolation of the density, adiabatic bulk modulus, and bulk sound speed to the pressures and temperatures of Earth's inner core. We propagate uncertainties and place constraints on the composition of Earth's inner core by combining these results with available data on light–element alloys of iron and seismic observations. For example, the addition of 4.3 to 5.3 wt% silicon to Fe 0.95 Ni 0.05 alone can explain geophysical observations of the inner core boundary, as can up to 7.5 wt% sulfur with negligible amounts of silicon and oxygen. Our findings favor an inner core with less than ~2 wt% oxygen and less than 1 wt% carbon, although uncertainties in electronic and anharmonic contributions to the equations of state may shift these values. The compositional space widens toward the center of the Earth, considering inner core seismic gradients. Here, we demonstrate that hcp–Fe 0.91 Ni 0.09 and hcp–Fe 0.8 Ni 0.1 Si 0.1 have measurably greater c/a axial ratios than those of hcp–Fe over the measured pressure range. Here, we further investigate the relationship between the axial ratios, their pressure derivatives, and elastic anisotropy of hcp–structured materials.

36 MATERIALS SCIENCE↗

Understanding the links between composition, polyhedral distortion, and luminescence properties in green-emitting β-Si 6–z Al z O z N 8–z :Eu 2+ phosphors

Inorganic phosphor materials play a crucial role in the creation of white light from blue and near-UV solid-state light-emitting diodes. Understanding the intricacies of the phosphor structure is key for setting the stage for improved, more efficient functionality. Average structure and coordination environment analysis of the robust and efficient green-emitting phosphor, β-SiAlON:Eu 2+ (β-Si 6–z Al z O z N 8–z Eu 0.009 ), is combined here with a range of property measurements to elucidate the role of Al content ( z ) in luminescence properties, including the red shift of emission and the thermal quenching of luminescence as a function of increasing Al content z . Average structure techniques reveal changes in polyhedral distortion with increasing z for the 9-coordinate Eu site in β-SiAlON:Eu 2+ . X-ray absorption near edge structure (XANES) is used to confirm that the majority of the activator Eu is in the Eu 2+ state, exhibiting the symmetry-allowed and efficient 4f 7 5d 0 → 4f 6 5d 1 transitions. As a result, room temperature and temperature-dependent luminescence indicate a curious increase in thermal stability with increasing z over a small range due to an increasing barrier for thermal ionization, which is correlated to an increase in the quantum yield of the phosphor.

36 MATERIALS SCIENCE↗

Insights into the possible existence of a soft dipole mode in He 8

With an extreme neutron-to-proton ratio of N/Z = 3, 8 He provides an ideal laboratory for the study of a variety of exotic phenomena, such as the emergence of a soft dipole mode that is dominated by transitions into the continuum. In this contribution, a covariant density-functional theory (DFT) framework is used to compute ground-state properties and the dipole response of 8 He. Although 8 He is admittedly too light for DFT to be applicable, the great merit of the approach is that the spurious contamination associated with the center-of-mass motion is guaranteed to decouple from the physical response. Given that a strong mixing between the isoscalar and isovector dipole modes is expected for a system with such a large neutron-proton asymmetry as 8 He, the narrow structures that emerged at low energies in the isovector dipole response are attributed to the shift of the spurious strength to zero (or near zero) excitation energy. Furthermore, the theoretical framework implemented here disfavors the emergence of a soft dipole mode in 8 He.

6 ≤ A ≤ 19↗

Global Technogenic Day- and Nightglows Detected onboard the Vernov Satellite in the Ultraviolet and Infrared Optical Spectral Ranges

The generation of transient and other optical phenomena in the Earth’s upper atmosphere under the action of electron fluxes and high- and low-frequency electromagnetic waves resulting from electromagnetic fields [1] has been studied onboard the small Vernov spacecraft (solar synchronous orbit, 98° inclination, altitude 640–830 km). On the night side at middle latitudes, the technogenic glow is shown to be observed along the preferential meridians whose distribution corresponds to the longitudes of the most powerful low-frequency radio stations [2]. The geographic distribution of this glow changes abruptly at the boundary between the day and night sides of the satellite orbit; on the day side, such meridians are not identified, while their geographic distribution in longitude is uniform. The boundaries of the geographic distribution of technogenic glow regions on the day side are unstable in latitude, their northern and southern boundaries are shifted at all latitudes from the North Pole to the South Pole. At middle and low latitudes, zones with random geographic coordinates, where the technogenic glow is completely absent, are observed in the distributions of signals along the meridians. When studying the flashes caused by discharges in the atmosphere, we showed that lightning flashes and transient luminous events at nighttime are observed mainly in equatorial regions, which coincide with zones of high thunderstorm activity. At daytime, flashes of light are recorded much more rarely, have a short duration, are observed most often in the Earth’s polar regions, including the winter periods, the power of their emission exceeds considerably the power of similar (in duration) short flashes observed at night.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Phase-Shifted Laser Feedback Interferometry

Phase-shifted, laser feedback interferometry is a new diagnostic tool developed at the NASA Lewis Research Center under the Advanced Technology Development (ATD) Program directed by NASA Headquarters Microgravity Research Division. It combines the principles of phase-shifting interferometry (PSI) and laser-feedback interferometry (LFI) to produce an instrument that can quantify both optical path length changes and sample reflectivity variations. In a homogenous medium, the optical path length between two points is the product of the index of refraction and the geometric distance between the two points. LFI differs from other forms of interferometry by using the laser as both the source and the phase detector. In LFI, coherent feedback of the incident light either reflected directly from a surface or reflected after transmission through a region of interest will modulate the output intensity of the laser. The combination of PSI and LFI has produced a robust instrument, based on a low-power helium-neon (HeNe) gas laser, with a high dynamic range that can be used to measure either static or oscillatory changes of the optical path length. Small changes in optical path length are limited by the fraction of a fringe that can be measured; we can measure nonoscillatory changes with a root mean square (rms) error of the wavelength/1000 without averaging.

Ovryn, Benjie↗

Pressure-Dependent Light Emission of Charged and Neutral Excitons in Monolayer MoSe 2

Tailoring the excitonic properties in two-dimensional monolayer transition metal dichalcogenides (TMDs) through strain engineering is an effective means to explore their potential applications in optoelectronics and nanoelectronics. Here we report pressure-tuned photon emission of trions and excitons in monolayer MoSe 2 via a diamond anvil cell (DAC) through photoluminescence measurements and theoretical calculations. Under quasi-hydrostatic compressive strain, our results show neutral (X 0 ) and charged (X – ) exciton emission of monolayer MoSe 2 can be effectively tuned by alcohol mixture vs inert argon pressure transmitting media (PTM). During this process, X – emission undergoes a continuous blue shift until reaching saturation, while X 0 emission turns up splitting. Furthermore, the pressure-dependent charging effect observed in alcohol mixture PTM results in the increase of the X – exciton component and facilitates the pressure-tuned emission of X – excitons. This substantial tunability of X – and X 0 excitons in MoSe 2 can be extended to other 2D TMDs, which holds potential for developing strained and optical sensing devices.

36 MATERIALS SCIENCE↗

Joint Geophysical and Numerical Insights of the Coupled Thermal‐Hydro‐Mechanical Processes During Heating in Salt

Abstract Salt offers an optimal medium for the permanent isolation of heat‐producing radioactive waste due to its impermeability, high thermal conductivity, and ability to close fractures through creep. A thorough understanding of the thermal‐hydrological‐mechanical (THM) processes, encompassing brine migration, is fundamental for secure radioactive waste disposal within salt formations. At the Waste Isolation Pilot Plant (WIPP), we conducted joint in situ geophysical monitoring experiments during active heating to investigate brine migration near excavations. This experiment incorporated electrical resistivity tomography (ERT) alongside high‐resolution fiber‐optic‐based distributed temperature sensing within a controlled heating experiment. Additionally, discrete element model (DEM) based numerical simulations were conducted to simulate THM processes during heating, providing a more mechanistic understanding of the coupled processes leading to the observed changes in geophysical measurements. During heating, resistivity shifts near the heater were reasonably explained by temperature effects. However, in more distant, cooler regions, the resistivity decrease exceeded predictions based solely on temperature. DEM simulations highlighted brine migration, propelled by pore pressure gradients, as the likely primary factor contributing to the additional resistivity decline beyond temperature effects. The comparison between the predicted ERT responses and observations was much improved when considering the effects of brine migration based on the DEM simulations. These geophysical and simulation findings shed light on brine migration in response to salt heating, enhancing our understanding of the coupled THM processes in salt for safe radioactive waste disposal.

58 GEOSCIENCES↗

Coupled π π , K K ¯ scattering in P -wave and the ρ resonance from lattice QCD

In this study, we determine elastic and coupled-channel amplitudes for isospin-1 meson-meson scattering in $P$-wave, by calculating correlation functions using lattice QCD with light quark masses such that $m_\pi = 236$ MeV in a cubic volume of $\sim (4 \,\mathrm{fm})^3$. Variational analyses of large matrices of correlation functions computed using operator constructions resembling $\pi\pi$, $K\overline{K}$ and $q\bar{q}$, in several moving frames and several lattice irreducible representations, leads to discrete energy spectra from which scattering amplitudes are extracted. In the elastic $\pi\pi$ scattering region we obtain a detailed energy-dependence for the phase-shift, corresponding to a $\rho$ resonance, and we extend the analysis into the coupled-channel $K\overline{K}$ region for the first time, finding a small coupling between the channels.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Concept for Maritime Near-Surface Surveillance Using Water Raman Scattering

In this report we discuss a new maritime surveillance and detection concept based on Raman scattering of water molecules. Using a scanning lidar that detects Raman scattered photons from water, the absence or change of signal indicates the presence of a non-water object. With sufficient spatial resolution a negative two dimensional image of the object can be generated by the scanning lidar. Because Raman scattering is an inelastic process with a relatively large wavelength shift for water, this concept completely avoids the problematic elastic scattering for objects at or very close to the water surface. Elastic scattering makes it difficult to discriminate between water and dark objects at or near the water surface especially when automated detection is required. It is also difficult to deal with elastic scattering from the bottom surface for shallow waters. The maximum detection depth for this concept is limited by the attenuation of the excitation and return Raman light in water. If excitation in the UV is used, fluorescence can be used for discrimination between organic and non-organic objects. Range gating can be used for this concept for detection of objects below a specified depth. In this report we develop a lidar model for this concept to estimate the number of detected Raman photons for variable lidar parameters and depths in the presence of the solar background. We also report on the results of proof-of-concept measurements using the Sandia Ares lidar with excitation at 355 nm. The measurements show good agreement with the lidar model predictions. The detected number of photons for typical lidar parameter shows the concept is viable and applicable to a variety of day and nighttime detection scenarios. This concept has many potential applications including near-surface mine detection, swimmer detection for security purposes, wide area search, as well as other civilian applications.

47 OTHER INSTRUMENTATION↗

THUNDER Piezoelectric Actuators as a Method of Stretch-Tuning an Optical Fiber Grating

A method of stretching optical fiber holds interest for measuring strain in smart structures where the physical displacement may be used to tune optical fiber lasers. A small, light weight, low power tunable fiber laser is ideal for demodulating strain in optical fiber Bragg gratings attached to smart structures such as the re-usable launch vehicle that is being developed by NASA. A method is presented for stretching optical fibers using the THUNDER piezoelectric actuators invented at NASA Langley Research Center. THUNDER actuators use a piezoelectric layer bonded to a metal backing to enable the actuators to produce displacements larger than the unbonded piezoelectric material. The shift in reflected optical wavelength resulting from stretching the fiber Bragg grating is presented. Means of adapting THUNDER actuators for stretching optical fibers is discussed, including ferrules, ferrule clamp blocks, and plastic hinges made with stereo lithography.

Allison, Sidney G.↗

Linearity for Ca2+-Doped CeBr3 Scintillating Materials

The National Security Technologies, LLC, Remote Sensing Laboratory (RSL) developed an aliovalently calcium-doped cerium tribromide (CeBr3:Ca2+) crystal with a FWHM resolution of 3.2% at the 137Cs 662 keV gamma energy. RSL completed a crystal assessment and Sandia National Laboratories calculated the predictive performance and physical characteristics using proven density functional theory (DFT) formalism. Results are reported for the work done to map the detector performance, characteristics, calcium doping concentration, and crystal strength. Preliminary scintillation measurements for this aliovalently calcium-doped CeBr3 scintillator exhibit a slight blue shift in fluorescence emission at 371 nm excitation for CeBr3. The structural, electronic, and optical properties of CeBr3 crystals were investigated using the DFT within generalized gradient approximation. The calculated lattice parameters are in good agreement with the experimental data. The energy band structures and density of states were obtained. The optical properties of CeBr3, including the dielectric function of photons per unit energy, were calculated. Specifically, we report excellent linearity with the aliovalent CeBr3:Ca2+ crystal. Proportionality of light yield is one area of performance in which Ce-doped and Ce-based lanthanide halides excel. Maintaining proportionality is the key to producing a strong, high-performance scintillator. Relative light yield proportionality was measured for both doped and undoped samples of CeBr3 to ensure no loss in performance was incurred by doping. The light output and proportionality, however, appear to be similar to CeBr3. There was a reduced yield at low energy. Relative light yield proportionality measurements suggest that dopants do not significantly affect proportionality at higher energies. RSL completed additional testing and evaluation of the new crystal as well as the assessment of benchmarking spectroscopy. Results, which present energy resolution as a function of energy, are summarized. Typical spectroscopy results using a 137Cs radiation source are shown for our crystallites with diameters <1 cm. We obtain 3.2% before packing the crystallite in a sealed detector container and 4.5% for the packaged crystallite. More spectra were obtained for 241Am, 60Co, 228Th, and background to exemplify CeBr3:Ca2+ over a broader energy range.

aliovalent substitution↗

Spectral investigation of nonlinear local field effects in Ag nanoparticles

The capability of Ag nanoparticles to modulate their optical resonance condition, by optical nonlinearity, without an external feedback system was experimentally demonstrated. These optical nonlinearities were studied in the vicinity of the localized surface plasmon resonance (LSPR), using femtosecond pump-and-probe spectroscopy with a white-light continuum probe. Transient transmission changes ΔT/T exhibited strong photon energy and particle size dependence and showed a complex and non-monotonic change with increasing pump light intensity. Peak position and change of sign redshift with increasing pump light intensity demonstrate the modulation of the LSPR. These features are discussed in terms of the intrinsic feedback via local field enhancement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Photophysical properties of zero-dimensional perovskites studied by PBE0 and GW+BSE methods

Due to the exceptional photophysical properties and great potential applications in solid state lighting, zero-dimensional halide perovskites with broadband emitting have recently attracted much attention. In this work, to reveal the origin of the broadband absorption and emission spectra of 0D (C 4 N 2 H 14 Br) 4 SnBr x I 6-x (x = 3), the ground state and exciton dynamics properties have been studied by hybrid PBE0 functional and the GW+BSE method. Different self-trapped excitons (STEs) are obtained, and their emission energies by PBE0 are consistent well with experimental data. By considering the vibrational broadening of emission, our calculated full width at half maximum of emission accords well with the experiment. The absorption of free exciton and STEs is also calculated by considering the quasiparticle and excitonic effect. Our results show that these light-induced trapped states can be observed by experiments, as confirmed in other similar systems by the femtosecond transient absorption spectra.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗