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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Interaction assessments of the first S-adenosylmethionine competitive inhibitor and the essential interacting partner methylosome protein 50 with protein arginine methyltransferase 5 by combined computational methods

Highlights: • Interaction assessment of the first SAM competitive inhibitor of PRMT5 was made. • The direct inhibition activity of a previously reported PRMT5 inhibitor was tested. • It's the first time quantifying the interaction between PRMT5 and MEP50. Protein arginine methyltransferase 5 (PRMT5) is the most promising anticancer target in PRMT family. In this study, based on the first S-adenosylmethionine (SAM) competitive small molecule inhibitor (17, compound number is from original paper) of PRMT5 reported in our recent paper, we determined the molecular mechanism of 17 interacting with PRMT5 by computational methods. Previously reported CMP5 was also thought of as a SAM competitive inhibitor of PRMT5, but the direct inhibition activity against PRMT5 at enzymatic level was not provided. Therefore, we tested the half-maximal inhibitory concentration (IC{sub 50}) of CMP5 against PRMT5 at enzymatic level for the purpose of summarizing the interaction characteristics of SAM binding site inhibitors with PRMT5. Additionally, as the essential interacting partner of PRMT5, the binding attributes of the WD-repeat-containing protein MEP50 (methylosome protein 50) was investigated, and nine key residues that contribute most to PRMT5:MEP50 interaction were identified. These results could be helpful in discovering new potent and specific inhibitors of PRMT5, as well as in designing mutant residue assay to modulate the catalytic activity of PRMT5.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Binding partner- and force-promoted changes in αE-catenin conformation probed by native cysteine labeling

Adherens Junctions (AJs) are cell-cell adhesion complexes that sense and propagate mechanical forces by coupling cadherins to the actin cytoskeleton via β-catenin and the F-actin binding protein αE-catenin. When subjected to mechanical force, the cadherin•catenin complex can tightly link to F-actin through αE-catenin, and also recruits the F-actin-binding protein vinculin. In this study, labeling of native cysteines combined with mass spectrometry revealed conformational changes in αE-catenin upon binding to the E-cadherin•β-catenin complex, vinculin and F-actin. A method to apply physiologically meaningful forces in solution revealed force-induced conformational changes in αE-catenin when bound to F-actin. Comparisons of wild-type αE-catenin and a mutant with enhanced vinculin affinity using cysteine labeling and isothermal titration calorimetry provide evidence for allosteric coupling of the N-terminal β-catenin-binding and the middle (M) vinculin-binding domain of αE-catenin. Cysteine labeling also revealed possible crosstalk between the actin-binding domain and the rest of the protein. The data provide insight into how binding partners and mechanical stress can regulate the conformation of full-length αE-catenin, and identify the M domain as a key transmitter of conformational changes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Partners in root nodule symbiosis respond uniquely to heavy metal stresses in a host genotype-dependent manner

Abstract The mutualistic symbiosis between legume roots and soil rhizobia culminates in the formation of root nodules, where nitrogen is fixed. Root nodule symbiosis is inhibited by heavy metal stress. In this study, we investigated the relative responses of the symbiotic partners to a non-essential heavy metal cadmium (Cd) and an essential heavy metal zinc (Zn) stress and identified patterns in gene expression. We performed dual transcriptomics in nodules, using theMedicago truncatula-Sinorhizobium melilotisymbiotic system. Phenotypes were measured in the wild-typeMedicago truncatulaand a mutant in anABCtransporter gene (Mtabcg36), which showed compromised nodule formation in control conditions and further after heavy metal treatment. We observed that the rhizobia were particularly sensitive to Zn in mutant nodules. The greatest degree of differential gene expression in the host plant were observed under Cd and Zn treatments in wild-type nodules. Most Cd-regulated host genes were also differentially regulated by Zn, revealing little discernment between an essential and a non-essential ion under increased exposure. Furthermore, the host response to both the stresses affected auxin and iron homeostasis genes in a host genotype-dependent manner. Our results suggested impaired cadmium export from the mutant nodules. These results have potential implications in agricultural management systems and bioremediation strategies.

Science & Technology - Other Topics↗
DOE OSTI2018

Structural basis for activation of SAGA histone acetyltransferase Gcn5 by partner subunit Ada2

The Gcn5 histone acetyltransferase (HAT) subunit of the SAGA transcriptional coactivator complex catalyzes acetylation of histone H3 and H2B N-terminal tails, posttranslational modifications associated with gene activation. Binding of the SAGA subunit partner Ada2 to Gcn5 activates Gcn5’s intrinsically weak HAT activity on histone proteins, but the mechanism for this activation by the Ada2 SANT domain has remained elusive. We have employed Fab antibody fragments as crystallization chaperones to determine crystal structures of a yeast Ada2/Gcn5 complex. Our structural and biochemical results indicate that the Ada2 SANT domain does not activate Gcn5’s activity by directly affecting histone peptide binding as previously proposed. Instead, the Ada2 SANT domain enhances Gcn5 binding of the enzymatic cosubstrate acetyl-CoA. As a result, this finding suggests a mechanism for regulating chromatin modification enzyme activity: controlling binding of the modification cosubstrate instead of the histone substrate.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Search for direct pair production of supersymmetric partners of τ leptons in the final state with two hadronically decaying τ leptons and missing transverse momentum in proton-proton collisions at s = 13 TeV

A search for the direct production of a pair of $τ$ sleptons, the supersymmetric partners of $τ$ leptons, is presented. Each $τ$ slepton is assumed to decay to a $τ$ lepton and the lightest supersymmetric particle (LSP), which is assumed to be stable and to not interact in the detector, leading to an imbalance in the total reconstructed transverse momentum. The search is carried out in events identified as containing two $τ$ leptons, each decaying to one or more hadrons and a neutrino, and significant transverse momentum imbalance. In addition to scenarios in which the $τ$ sleptons decay promptly, the search also addresses scenarios in which the $τ$ sleptons have sufficiently long lifetimes to give rise to nonprompt $τ$ leptons. The data were collected in proton-proton collisions at a center-of-mass energy of 13 TeV at the CERN LHC with the CMS detector in 2016–2018, and correspond to an integrated luminosity of 138 fb -1 . No significant excess is seen with respect to standard model expectations. Upper limits on cross sections for the pair production of $τ$ sleptons are obtained in the framework of simplified models. In a scenario in which the $τ$ sleptons are superpartners of left-handed $τ$ leptons, and each undergoes a prompt decay to a $τ$ lepton and a nearly massless LSP, $τ$ slepton masses between 115 and 340 GeV are excluded. In a scenario in which the lifetime of the $τ$ sleptons corresponds to c$τ$ 0 = 0.1 mm, where $τ_{0}$ represents the mean proper lifetime of the $τ$ slepton, masses between 150 and 220 GeV are excluded.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Search for singly produced vectorlike top partners in multilepton final states with 139 fb −1 of 𝑝⁢𝑝 collision data at √𝑠 =13 TeV with the ATLAS detector

A search for the single production of a vectorlike top partner (𝑇) with mass greater than 1 TeV decaying into a 𝑍 boson and a top quark is presented, using the full Run 2 dataset corresponding to 139 fb −1 of 𝑝⁢𝑝 collisions at √𝑠 =13 TeV, collected in 2015–2018 with the ATLAS detector at the Large Hadron Collider. The targeted final state is characterized by the presence of a pair of electrons or muons with opposite-sign charges which form a 𝑍-boson candidate, as well as by the presence of 𝑏-tagged jets and forward jets. Events with exactly two or at least three leptons are categorized into two independently optimized analysis channels. No significant excess above the background expectation is observed and the results from the two channels are statistically combined to set exclusion limits at 95% confidence level on the masses and couplings of 𝑇. The results are interpreted in several benchmark scenarios to set limits on the mass and universal coupling strength (𝜅) of the vectorlike quark. For singlet 𝑇 quarks, 𝜅 values between 0.22 and 0.64 are excluded for masses between 1000 and 1975 GeV. For 𝑇 quarks in the doublet scenario, where the production cross section is much lower, 𝜅 values between 0.54 and 0.88 are excluded for masses between 1000 and 1425 GeV.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Pseudomonas aeruginosa C-Terminal Processing Protease CtpA Assembles into a Hexameric Structure That Requires Activation by a Spiral-Shaped Lipoprotein-Binding Partner

Pseudomonas aeruginosa CtpA is a carboxyl-terminal processing protease that partners with the outer membrane lipoprotein LbcA to degrade at least five cell wall-associated proteins, four of which are cell wall hydrolases. This activity plays an important role in supporting P. aeruginosa virulence in a mouse model of acute pneumonia. However, almost nothing is known about the molecular mechanisms underlying CtpA and LbcA function. Here, we used structural analysis to show that CtpA alone assembles into an inactive hexamer comprising a trimer of dimers, which limits its substrate access and prevents nonspecific degradation. The adaptor protein LbcA is a right-handed open spiral with 11 tetratricopeptide repeats, which might wrap around a substrate to deliver it to CtpA for degradation. By structure-guided mutagenesis and functional assays, we also showed that the interfaces of the CtpA trimer of dimers and an N-terminal helix of LbcA are important for LbcA-mediated substrate degradation by CtpA both in vitro and in vivo. This work improves our understanding of the molecular mechanism of the LbcA-CtpA proteolytic system and reveals some striking differences from the arrangements found in some other bacterial CTPs.

structural biology↗
DOE OSTI2020

Search for a scalar partner of the top quark in the all-hadronic $t{\bar{t}}$ plus missing transverse momentum final state at $\sqrt{s}=13$ TeV with the ATLAS detector

A search for direct pair production of scalar partners of the top quark (top squarks or scalar third-generation up-type leptoquarks) in the all-hadronic $t{\bar{t}}$ plus missing transverse momentum final state is presented. The analysis of 139 $\hbox {fb}^{-1}$ of ${\sqrt{s}=13}$ TeV proton–proton collision data collected using the ATLAS detector at the LHC yields no significant excess over the Standard Model background expectation. To interpret the results, a supersymmetric model is used where the top squark decays via ${\tilde{t}} \rightarrow t^{(*)} {\tilde{\chi }}^0_1$ t ~ → t ( * ) χ ~ 1 0 , with $t^{(*)}$ t ( * ) denoting an on-shell (off-shell) top quark and ${\tilde{\chi }}^0_1$ χ ~ 1 0 the lightest neutralino. Three specific event selections are optimised for the following scenarios. In the scenario where $m_{{\tilde{t}}}> m_t+m_{{\tilde{\chi }}^0_1}$ m t ~ > m t + m χ ~ 1 0 , top squark masses are excluded in the range 400–1250 GeV for ${\tilde{\chi }}^0_1$ χ ~ 1 0 masses below 200 GeV at 95% confidence level. In the situation where $m_{{\tilde{t}}}\sim m_t+m_{{\tilde{\chi }}^0_1}$ m t ~ ~ m t + m χ ~ 1 0 , top squark masses in the range 300–630 GeV are excluded, while in the case where $m_{{\tilde{t}}}< m_W+m_b+m_{{\tilde{\chi }}^0_1}$ m t ~ < m W + m b + m χ ~ 1 0 (with $m_{{\tilde{t}}}-m_{{\tilde{\chi }}^0_1}\ge 5$ m t ~ - m χ ~ 1 0 ≥ 5 GeV), considered for the first time in an ATLAS all-hadronic search, top squark masses in the range 300–660 GeV are excluded. Limits are also set for scalar third-generation up-type leptoquarks, excluding leptoquarks with masses below 1240 GeV when considering only leptoquark decays into a top quark and a neutrino.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

A minimal supersymmetric SU(5) missing-partner model

We explore a missing-partner model based on the minimal SU(5) gauge group with 75, 50 and 50¯ Higgs representations, assuming a super-GUT CMSSM scenario in which soft supersymmetry-breaking parameters are universal at some high scale Min above the GUT scale MGUT. We identify regions of parameter space that are consistent with the cosmological dark matter density, the measured Higgs mass and the experimental lower limit on τ(p → K + ν). These constraints can be satisfied simultaneously along stop coannihilation strips in the super-GUT CMSSM with tanβ ~ 3.5–5 where the input gaugino mass m 1/2 ~15–25 TeV, corresponding after strong renormalization by the large GUT Higgs representations between M in and M GUT to m LSP ,m t ~ 1 ~ 2.5–5 TeV and m g ~ ~ 13–20 TeV, with the light-flavor squarks significantly heavier. We find that τ(p → K + ν) ≲ 3 × 10 34 years throughout the allowed range of parameter space, within the range of the next generation of searches with the JUNO, DUNE and Hyper-Kamiokande experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Search for pair-produced vector-like top and bottom partners in events with large missing transverse momentum in $pp$ collisions with the ATLAS detector

A search for pair-produced vector-like quarks using events with exactly one lepton ($e$ or $μ$), at least four jets including at least one $b$-tagged jet, and large missing transverse momentum is presented. Data from proton–proton collisions at a centre-of-mass energy of $\sqrt{s}$ = 13 TeV, recorded by the ATLAS detector at the LHC from 2015 to 2018 and corresponding to an integrated luminosity of 139 fb –1 , are analysed. Vector-like partners $T$ and $B$ of the top and bottom quarks are considered, as is a vector-like $X$ with charge +5/3, assuming their decay into a $W$, $Z$, or Higgs boson and a third-generation quark. No significant deviations from the Standard Model expectation are observed. Upper limits on the production cross-section of $T$ and $B$ quark pairs as a function of their mass are derived for various decay branching ratio scenarios. The strongest lower limits on the masses are 1.59 assuming mass-degenerate vector-like quarks and branching ratios corresponding to the weak-isospin doublet model, and 1.47 TeV (1.46 TeV) for exclusive $T$→$Zt$ ($B/X$→$Wt$) decays. In addition, lower limits on the $T$ and $B$ quark masses are derived for all possible branching ratios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

A single β-octyl glucoside molecule induces HIV-1 Nef dimer formation in the absence of partner protein binding

The HIV-1 Nef accessory protein is essential for viral pathogenicity and AIDS progression. Nef forms complexes with multiple host cell factors to facilitate viral replication and promote immune escape of HIV-infected cells. Previous X-ray crystal structures demonstrate that Nef forms homodimers, the orientation of which are influenced by host cell binding partners. In cell-based fluorescence complementation assays, Nef forms homodimers at the plasma membrane. However, recombinant Nef proteins often exist as monomers in solution, suggesting that membrane interaction may also trigger monomer to dimer transitions. In this study, we show that monomeric Nef core proteins can be induced to form dimers in the presence of low concentrations of the non-ionic surfactant, β-octyl glucoside (βOG). X-ray crystallography revealed that a single βOG molecule is present in the Nef dimer, with the 8-carbon acyl chain of the ligand binding to a hydrophobic pocket formed by the dimer interface. This Nef-βOG dimer interface involves helix αB, as observed in previous dimer structures, as well as a helix formed by N-terminal residues 54–66. Nef dimer formation is stabilized in solution by the addition of βOG, providing biochemical validation for the crystal structure. These observations together suggest that the interaction with host cell lipid mediators or other hydrophobic ligands may play a role in Nef dimerization, which has been previously linked to multiple Nef functions including host cell protein kinase activation, CD4 downregulation, and enhancement of HIV-1 replication.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Joint Appointments: General Principles for Joint Appointments between LANL and University Partners

The Joint Appointment Program provides opportunities for LANL and partner universities to recruit, retain, and recognize premier scientists and engineers by offering them the ability to work in both the LANL and university environments. These interactions enhance the ability of both institutions to achieve their respective research and development missions while providing increased academic strength to educational institutions.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2020

Partner program with local college is a gateway to lasting careers

The first graduates of a newly revised associate degree program at Northern New Mexico College (NNMC) are starting their careers in radiation protection at the Laboratory. NNMC has long provided courses in radiation protection, but last year partnered with the Associate Laboratory Directorate of Weapons Production (ALDWP) to invigorate the college’s offerings.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2020

2.3.3.01- xSDK-Multiprecision Quarterly Report for Subcontract Partner KIT

In collaboration with the project partners, the subcontractor conducted the multiprecision landscape survey. Following the survey, the subcontractor orchestrated the processing of the survey findings in the “Multiprecision Landscape Assessment” (attached to this quarterly report) and published the document as a preprint. Furthermore, the team initiated the process of publishing the survey results in a compressed form as a scientific paper. The subcontractor also conducted research on the accessor design, created a prototype implementation, and delivered an “Accessor Design Document” (attached to this quarterly report). Furthermore, the subcontractor organized bi-weekly meetings of all project participants to encourage scientific discussions and collaboration.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Partnering for the Future: Leadership, Innovation, and Proven Solutions (Progress Report 2021)

This annual report from the Better Buildings Initiative contains information about partner projects, energy and cost savings, and new program initiatives. The 2021 Progress Report also recognizes the latest group of Better Buildings Goal Achievers - organizations who have met their energy, water, and/or financing commitments under the Better Buildings or Better Plants Challenge.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Solar Decathlon Education Partner: Cooperative Research and Development Final Report

The U.S. Department of Energy Solar Decathlon (DOE/SD) is a collegiate competition, comprising 10 contests, that challenges student teams to design and build highly efficient and innovative buildings powered by renewable energy. The winners will be those teams that best blend architectural and engineering excellence with innovation, market potential, building efficiency, and smart energy production. Solar Decathlon is comprised of two Challenges - Design Challenge (annual) and Build Challenge (biennial). The National Renewable Energy Laboratory (NREL) provides competition management for Solar Decathlon. NREL and Participant establish this CRADA to enable the success of the Solar Decathlon program in managing sponsorship funds and creating a K12 education program. Participant is to act as an Education Partner to Solar Decathlon, which includes: 1) accepting and dispersing sponsorship funds for DOE/SD; and 2) providing K12 education program to support Solar Decathlon Competition Events in April each year.

14 SOLAR ENERGY↗