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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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Mission leverage education: NSU/NASA innovative undergraduate model

The BEST Lab (Center for Excellence in Science Education), the Center for Materials Research (CMR), and the Chemistry, Mathematics, Physics, and Computer Science (CS) Departments at Norfolk State University (NSU) joined forces to implement MiLEN(2) IUM - an innovative approach tu integrate current and emerging research into the undergraduate curricula and train students on NASA-related fields. An Earth Observing System (EOS) mission was simulated where students are educated and trained in many aspects of Remote Sensing: detector physics and spectroscopy; signal processing; data conditioning, analysis, visualization; and atmospheric science. This model and its continued impact is expected to significantly enhance the quality of the Mathematics, Science, Engineering and Technology (MSET or SMET) educational experience and to inspire students from historically underrepresented groups to pursue careers in NASA-related fields. MiLEN(2) IUM will be applicable to other higher education institutions that are willing to make the commitment to this endeavor in terms of faculty interest and space.

Chaudhury, S. Raj↗

Integrated Utility Module for Future NASA Miniature Spacecraft

NASA initiated a program for space-validation of selected technologies relating to miniature spacecraft and microinstruments. Addressed is the proposed development of the Integrated Utility Module (IUM) which integrates structural integrity, thermal management, power distribution, data & signal transmission, radiation & meteoroid protection, etc. into a lightweight, compact, cableless package.

NASA↗

Inclusion Complexes of a Metastable‐State Photoacid with High Acidity and Chemical Stability

Abstract Metastable‐state merocyanine photoacids (MCHs) have been widely applied to various chemical, material and biomedical areas to drive or control chemical processes with light. In this work, stoichiometry and association constants have been determined for inclusion complexes of a photoacid MCH1 ((E)‐3‐(2‐(2‐hydroxystyryl)‐3,3‐dimethyl‐3H‐indol‐1‐ium‐1‐yl)propane‐1‐sulfonate) withβ‐cyclodextrin (β‐CD), 2‐hydroxypropyl‐β‐CD (HP‐β‐CD),γ‐CD and HP‐γ‐CD by means of UV‐Vis absorption spectroscopic titrations. The inclusion complexes were studied to enhance acidity and chemical stability. Kinetic study showed that CDs stabilized the acidic metastable state and slowed its thermal relaxation. The acidity of the ground and metastable state (pK a GS and pK a MS ) increased upon addition of CDs. The pK a MS of [MCH1 ⋅ (γ‐CD) 2 ] is as low as 0.92 in comparison with 2.24 for MCH1, which is close to the lowest pK a MS values (1.20 and 1.03) reported previously, in which case the MCH1 was structurally modified with alkylammonium side chains. Addition of CDs also significantly enhanced the chemical stability of MCH1 against hydrolysis, which is one of the major concerns for the application of MCHs. In particular, the addition of HP‐β‐CD increased the half‐life of MCH1 in aqueous solution more than four‐fold. Moreover, the quantum chemical calculations confirmed the stoichiometry and analyzed the binding sites and hydrogen bonds of the inclusion complexes.

Chemistry↗

Photoelectrochemical Hydride Generation with Oxide-Coated Silicon

Photoelectrochemical generation of a potent organic hydride donor at silicon is demonstrated. Two different oxide-coated p-type silicon photoelectrodes reduced 1,2,3,5,6-pentamethyl-1H-benzo[d]imidazol-3-ium hexafluorophosphate, [PMBI][PF 6 ], to its corresponding imidazole hydride, PMBIH, in the presence of a proton source. Under 1 sun illumination, in acetonitrile with 1,5-diazabicyclo[4.3.0]non-5-ene (DBN) buffer, the p-Si photoelectrodes convert PMBI + to PMBIH with good Faradaic efficiencies (FEs): 78% FE at −2.3 V vs Fc +/0 for Si|TiO 2 and 83% FE at −2.6 V vs Fc +/0 for Si|SiO 2 (where Si|SiO 2 represents silicon coated with an oxide layer). Generally, the Si|TiO 2 catalyzed the reaction at milder potentials than Si|SiO 2 , but the Si|SiO 2 had better selectivity for PMBIH generation over H 2 evolution than Si|TiO 2 . In light of prior studies of these photoelectrodes, the differences in selectivity and onset potential suggest a difference in mechanism, likely an outer-sphere electron transfer (ET) mechanism at the SiO 2 surface and potentially a proton-coupled ET process at the TiO 2 surface. To help understand reaction efficiency and identify areas of improvement, a thermochemical model for understanding net hydride transfer from the semiconductor to an acceptor in solution was developed. We find that the reactions in the present system are quite downhill. The high overpotentials (even while maintaining selectivity over H 2 evolution) emphasize the need for improved catalysts. Furthermore, this approach to evaluate the thermodynamics of net hydride transfer should be broadly valuable for electrochemical and photoelectrochemical processes.

14 SOLAR ENERGY↗

Materials Data on CNCl by Materials Project

CNCl is alpha As structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four 2,4,6-trichloro-1,3,5-triazin-1-ium molecules. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to two equivalent N3- and one Cl1- atom. Both C–N bond lengths are 1.34 Å. The C–Cl bond length is 1.71 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to two N3- and one Cl1- atom. Both C–N bond lengths are 1.34 Å. The C–Cl bond length is 1.71 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent C4+ atoms. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two C4+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on AsC3N3Cl3F7 by Materials Project

(CNCl)3C3N3Cl3F2(AsF6)2 crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of two 2,4,6-trichloro-1,3,5-triazin-1-ium molecules; four AsF6 clusters; and two C3N3Cl3F2 clusters. In each AsF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.77–1.79 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In each C3N3Cl3F2 cluster, there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to two N+2.33- and one Cl1- atom. There is one shorter (1.32 Å) and one longer (1.39 Å) C–N bond length. The C–Cl bond length is 1.64 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to two equivalent N+2.33- and one Cl1- atom. Both C–N bond lengths are 1.36 Å. The C–Cl bond length is 1.62 Å. There are two inequivalent N+2.33- sites. In the first N+2.33- site, N+2.33- is bonded in a trigonal planar geometry to two C4+ and one F1- atom. The N–F bond length is 1.35 Å. In the second N+2.33- site, N+2.33- is bonded in a bent 120 degrees geometry to two equivalent C4+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. F1- is bonded in a single-bond geometry to one N+2.33- atom.

36 MATERIALS SCIENCE↗

Continuing Analysis of Charge Current Interactions in ANNIE

The Accelerator Neutrino Neutron Interaction Experiment (ANNIE) is a gadolinium-loaded water Cherenkov detector on the Fermilab Booster Neutrino Beam (BNB).Using νμ in the energy range of 500 to 1000 MeV, ANNIE is designed to measure final-state neutrons.In this poster we will cover the ongoing analysis work exploring Charged-Current neutrino interactions. Charged-Current (CC) νμ interactions in this regime have uncertainties in the relative contributions of quasielastic and res- onance production. Together with intranuclear final-state interactions (FSI) and missing hadronic energy, these interactions drive important biases in neutrino energy reconstruction. ANNIE mit- igates these effects by combining muon kinematics from the downstream Muon Range Detector (MRD) with neutron identification via delayed gamma cascades from thermal captures on gadolin- ium. We characterize CC0π and Δ samples by measuring neutron multiplicity versus event topology and reconstructed kinematics, comparing neutron-tagged data to interaction-model predictions to probe resonance production and pion FSI/absorption

Fleming, Dylon [UC, Davis; Fermilab] (ORCID:000000↗

Structural Characterization of Alzheimer DNA Promoter Sequences from the Amyloid Precursor Gene in the Presence of Thioflavin T and Analogs

Understanding DNA-ligand binding interactions requires ligand screening, crystallization, and structure determination. In order to obtain insights into the amyloid peptide precursor (APP) gene-Thioflavin T (ThT) interaction, single crystals of two DNA sequences 5'-GCCCACCACGGC-3' (PDB 8ASK) and d(CCGGGGTACCCCGG) 2 (PDB 8ASH) were grown in the presence of ThT or its analogue 2-((4-(dimethylamino)benzylidene)amino)-3,6-dimethylbenzo[d]thiazol-3-ium iodide (XRB). Both structures were solved by molecular replacement. In the case of 8ASK, the space group was H3 with unit cell dimensions of a = b = 64.49 Å, c = 46.19 Å. Phases were obtained using a model generated by X3DNA. The novel 12-base-pair B-DNA structure did not have extra density for the ThT ligand. The 14-base-pair A-DNA structure with bound ThT analog XRB was isomorphous with previously the obtained apo-DNA structure 5WV7 (space group was P 4 1 2 1 2 with unit cell dimensions a = b = 41.76 Å, c = 88.96 Å). Binding of XRB to DNA slightly changes the DNA's buckle parameters at the CpG regions. Comparison of the two conformations of the XRB molecule: alone and bound to DNA indicates that the binding results from the freedom of rotation of the two aromatic rings.

59 BASIC BIOLOGICAL SCIENCES↗

Comprehensive Analysis of the Relative Dispersion of Droplet-Size Distributions and Their Relationships to Key Physical Fog Processes Under Different Aerosol Conditions and Evolutionary Stages

The relative dispersion of cloud and fog droplets has significant impacts on aerosol indirect effects, radiative transfer, and microphysical processes. However, previous studies have been mostly concerned with clouds, with limited studies on fog, particularly those that examine the combined influences of all key physical processes and their roles during fog evolution. As such, this study aims to conduct a comprehensive investigation by examining the relationships between relative dispersion and other microphysical variables, as well as the underlying microphysical and dynamic processes, based on field fog campaigns in polluted and clean conditions. In polluted fog, droplet concentrations are higher, leading to smaller droplets and increased dispersion. The correlation between dispersion and droplet volume-mean radius is positive in the polluted fog, but shifts to negative in clean fog. Here, we attribute the difference to various microphysical processes like aerosol activation, condensation, collision-coalescence, and entrainment-mixing. In polluted fog, high aerosol concentrations, low supersaturations, and strong turbulence (entrainment-mixing) provide suitable conditions for the simultaneous occurrence of droplet condensation and aerosol activation, resulting in a positive correlation between dispersion and volume-mean radius, especially during the fog formation stage. In contrast, during the mature stage in clean fog, condensation is dominant with weak aerosol activation leading to a negative correlation between relative dispersion and volume-mean radius. The collision-coalescence process is more active in the mature stage, increasing radii and leading to the negative correlation between dispersion and volume-mean radius. This result sheds new light on understanding the relative dispersion and mechanisms in fog under different aerosol backgrounds.

54 ENVIRONMENTAL SCIENCES↗

CCDC 2383610: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

bis(pyrrolidin-1-ium) bis(tetrabutylammonium) trid↗