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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Using quantum chemistry muscle to flex massive systems: How to respond to something perturbing

Computational chemistry uses the theoretical advances of quantum mechanics and the algorithmic and hardware advances of computer science to give insight into chemical problems. It is currently possible to do highly accurate quantum chemistry calculations, but the most accurate methods are very computationally expensive. Thus it is only feasible to do highly accurate calculations on small molecules, since typically more computationally efficient methods are also less accurate. The overall goal of my dissertation work has been to try to decrease the computational expense of calculations without decreasing the accuracy. In particular, my dissertation work focuses on fragmentation methods, intermolecular interactions methods, analytic gradients, and taking advantage of new hardware.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

The mitochondrial Cu + transporter PiC2 (SLC25A3) is a target of MTF1 and contributes to the development of skeletal muscle in vitro

The loading of copper (Cu) into cytochrome c oxidase (COX) in mitochondria is essential for energy production in cells. Extensive studies have been performed to characterize mitochondrial cuproenzymes that contribute to the metallation of COX, such as Sco1, Sco2, and Cox17. However, limited information is available on the upstream mechanism of Cu transport and delivery to mitochondria, especially through Cu-impermeable membranes, in mammalian cells. The mitochondrial phosphate transporter SLC25A3, also known as PiC2, binds Cu + and transports the ion through these membranes in eukaryotic cells, ultimately aiding in the metallation of COX. We used the well-established differentiation model of primary myoblasts derived from mouse satellite cells, wherein Cu availability is necessary for growth and maturation, and showed that PiC2 is a target of MTF1, and its expression is both induced during myogenesis and favored by Cu supplementation. PiC2 deletion using CRISPR/Cas9 showed that the transporter is required for proliferation and differentiation of primary myoblasts, as both processes are delayed upon PiC2 knock-out. The effects of PiC2 deletion were rescued by the addition of Cu to the growth medium, implying the deleterious effects of PiC2 knockout in myoblasts may be in part due to a failure to deliver sufficient Cu to the mitochondria, which can be compensated by other mitochondrial cuproproteins. Co-localization and co-immunoprecipitation of PiC2 and COX also suggest that PiC2 may participate upstream in the copper delivery chain into COX, as verified by in vitro Cu + -transfer experiments. These data indicate an important role for PiC2 in both the delivery of Cu to the mitochondria and COX, favoring the differentiation of primary myoblasts.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Effect of Active Lengthening and Shortening on Small-Angle X-ray Reflections in Skinned Skeletal Muscle Fibres

Our purpose was to use small-angle X-ray diffraction to investigate the structural changes within sarcomeres at steady-state isometric contraction following active lengthening and shortening, compared to purely isometric contractions performed at the same final lengths. We examined force, stiffness, and the 1,0 and 1,1 equatorial and M3 and M6 meridional reflections in skinned rabbit psoas bundles, at steady-state isometric contraction following active lengthening to a sarcomere length of 3.0 µm (15.4% initial bundle length at 7.7% bundle length/s), and active shortening to a sarcomere length of 2.6 µm (15.4% bundle length at 7.7% bundle length/s), and during purely isometric reference contractions at the corresponding sarcomere lengths. Compared to the reference contraction, the isometric contraction after active lengthening was associated with an increase in force (i.e., residual force enhancement) and M3 spacing, no change in stiffness and the intensity ratio I 1,1 /I 1,0 , and decreased lattice spacing and M3 intensity. Compared to the reference contraction, the isometric contraction after active shortening resulted in decreased force, stiffness, I 1,1 /I 1,0 , M3 and M6 spacings, and M3 intensity. This suggests that residual force enhancement is achieved without an increase in the proportion of attached cross-bridges, and that force depression is accompanied by a decrease in the proportion of attached cross-bridges. Furthermore, the steady-state isometric contraction following active lengthening and shortening is accompanied by an increase in cross-bridge dispersion and/or a change in the cross-bridge conformation compared to the reference contractions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

The muscles treasury survey. III. X-ray to infrared spectra of 11 M and K stars hosting planets

We present a catalog of panchromatic spectral energy distributions (SEDs) for 7 M and 4 K dwarf stars that span X-ray to infrared wavelengths (5 Å –5.5 μm). These SEDs are composites of Chandra or XMM-Newton data from 5–∼50 Å, a plasma emission model from ∼50–100 Å, broadband empirical estimates from 100–1170 Å, Hubble Space Telescope data from 1170–5700 Å, including a reconstruction of stellar Lyα emission at 1215.67 Å, and a PHOENIX model spectrum from 5700–55000 Å. Using these SEDs, we computed the photodissociation rates of several molecules prevalent in planetary atmospheres when exposed to each star’s unattenuated flux (“unshielded” photodissociation rates) and found that rates differ among stars by over an order of magnitude for most molecules. In general, the same spectral regions drive unshielded photodissociations both for the minimally and maximally FUV active stars. However, for O{sub 3} visible flux drives dissociation for the M stars whereas near-UV flux drives dissociation for the K stars. We also searched for an far-UV continuum in the assembled SEDs and detected it in 5/11 stars, where it contributes around 10% of the flux in the range spanned by the continuum bands. An ultraviolet continuum shape is resolved for the star ϵ Eri that shows an edge likely attributable to Si ii recombination. The 11 SEDs presented in this paper, available online through the Mikulski Archive for Space Telescopes, will be valuable for vetting stellar upper-atmosphere emission models and simulating photochemistry in exoplanet atmospheres.

79 ASTRONOMY AND ASTROPHYSICS↗