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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 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Structural and Biochemical Characterization of the Human Cyclophilin Family of Peptidyl-Prolyl Isomerases

Peptidyl-prolyl isomerases catalyze the conversion between cis and trans isomers of proline. The cyclophilin family of peptidyl-prolyl isomerases is well known for being the target of the immunosuppressive drug cyclosporin, used to combat organ transplant rejection. There is great interest in both the substrate specificity of these enzymes and the design of isoform-selective ligands for them. However, the dearth of available data for individual family members inhibits attempts to design drug specificity; additionally, in order to define physiological functions for the cyclophilins, definitive isoform characterization is required. In the current study, enzymatic activity was assayed for 15 of the 17 human cyclophilin isomerase domains, and binding to the cyclosporin scaffold was tested. In order to rationalize the observed isoform diversity, the high-resolution crystallographic structures of seven cyclophilin domains were determined. These models, combined with seven previously solved cyclophilin isoforms, provide the basis for a family-wide structure:function analysis. Detailed structural analysis of the human cyclophilin isomerase explains why cyclophilin activity against short peptides is correlated with an ability to ligate cyclosporin and why certain isoforms are not competent for either activity. In addition, we find that regions of the isomerase domain outside the proline-binding surface impart isoform specificity for both in vivo substrates and drug design. We hypothesize that there is a well-defined molecular surface corresponding to the substrate-binding S2 position that is a site of diversity in the cyclophilin family. Computational simulations of substrate binding in this region support our observations. Our data indicate that unique isoform determinants exist that may be exploited for development of selective ligands and suggest that the currently available small-molecule and peptide-based ligands for this class of enzyme are insufficient for isoform specificity.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Video-Based Dynamic Measurement & Analysis for Structural Health Monitoring

LANS has invented and holds patents for a unique platform/suite of tools and methods for the emerging Structural Health Monitoring (SHM) marketplace which may hold value within several industry market sectors. Los Alamos is seeking a commercialization partner for this SHM technology as an OEM or field services company operating in one or more of these markets that is capable of crafting and executing a savvy go to market plan that utilizes or leverages this novel suite of Structural Health Monitoring intellectual property and know-how that LANS has available for exclusive or non-exclusive licensing.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2019

Qualitative Analysis, Structure-Preserving Discretizations and Scalable Solvers for Multiphysics Problems. Final Technical Report

Many problems in physics, engineering, meteorology, computer science, and other fields involve a certain level of coupling between different physical quantities. With the development of advanced computational modeling, simulation, and hardware, simulations for many important multiphysics/multiscale coupling effects are now more tractable. In this project, we have developed robust, efficient, and practical numerical algorithms for such simulation software that are capable of tackling these complex mathematical models in many fundamental ways such as stability, wellposedness, and consistency. We expect that such an integrated theoretical and algorithmic framework will have a substantial impact on numerous multiscale and multiphysics modeling and simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Analysis of Structural Options for Bench Measurement of AGU Segment Prototype

Refer to Tech Note TN #257 for an introduction to the mechanics and structure for the proposed prototype of a multi-segment Adaptive-Gap Undulator (AGU). Here we investigate various proposed design options for a magnet structure intended to prototype the upper and lower halves of a single segment: A) Assembly SLS-15.55-004, the historic X9 platen (0.6m long, with integral strongback) and single large centric mechanical feed-through post; B) Initial assembly SR-ID-SAGU-4300 with three pairs of feed-throughs spaced along platen length (0.7m); C) That assembly SR-ID-SAGU-4300 with increased base plate thickness. All options have “base plate” affixed to the same actuated gap-drive system with single driven axis as was on NSLS X9 MGU. As shown in Figure 1, design criteria like Gap Tolerance, Taper Error, and the critical Planarity of the pole plane within the gap are used to evaluate performance. The error in planarity to be minimized is the differential in vertical displacement (Y direction) along the Platen length (beam Z direction). Applied loads are magnetic pressure and gravity.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Comparative Structural Rigidity Analysis of the NBSR DDE and the NBSR LEU Fuel Element

The National Bureau of Standards Reactor (NBSR) is a 20-MW heavy-water moderated and cooled, enriched-fuel, tank-type reactor located in the NIST Center for Neutron Research laboratory complex. NBSR is one of six U.S. high performance research reactors (USHPRR), including one critical facility, that actively collaborates with the National Nuclear Security Administration (NNSA) Material Management and Minimization (M3) Reactor Conversion Program to convert from the use of highly enriched uranium fuel to the use of low-enriched uranium (LEU, < 20 wt% U-235) fuel. On the LEU U-10Mo fuel qualification side, mini-plate and large-plate irradiations have been successfully performed, and more experiments are either ongoing or planned. As an additional experimental campaign to support licensing of the LEU fuel for the use in the NBSR, the NBSR Design Demonstration Element (DDE) will be a full-sized test element similar to the NBSR LEU fuel element and irradiated in a test reactor under conditions as prototypic of the NBSR LEU fuel element operating conditions as possible.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Resolving Lipid Structures for Threat-Agnostic Signatures

Development of threat-agnostic biosignatures is critical for the detection of and response to biological threats that go beyond the historical list-based approach. Lipids are a class of structurally diverse biomolecules that hold great promise as relevant threat-agnostic biosignatures, yet the fundamental challenge of resolving and decoding structural differences among lipids remains an obstacle in the pursuit of signature development. Structural analysis of complex lipids remains stymied due to spectral complexity and the inability to resolve low abundance lipids. To address these challenges, we integrated ozonolysis with ion mobility mass spectrometry (IMS-MS) analysis to determine the structural information for complex lipid species and (2) reduced lipid sample complexity prior to introduction into the IMS-MS using normal phase high pressure liquid chromatography (HPLC) to enable the ozonolysis of low abundance lipids. We applied these new capabilities to define the lipid structures in antimicrobial resistant (AMR) and antimicrobial susceptible (AMS) biothreat organism Yersinia pestis and cells infected with Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2) variants.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1967

A modal combination computer program for dynamic analysis of structures

Computer program determines the response of a composite linear structure to sinusoidal base motion of a restrained structure or sinusoidal forces of a free structure. This program is applied to problems of testing practices and closed-loop stability of autopilot controlled space vehicles. It is written for the IBM 7094 in FORTRAN 4 language.

Bamford, R. M.↗