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DOE OSTI2023

Structure and epitope of a neutralizing monoclonal antibody that targets the stem helix of β coronaviruses

Monoclonal antibodies that retain neutralizing activity against multiple coronavirus (CoV) lineages and variants of concern (VoC) must be developed to protect against future pandemics. These broadly neutralizing MAbs (BNMAbs) may be used as therapeutics and/or to assist in the rational design of vaccines that induce BNMAbs. 1249A8 is a BNMAb that targets the stem helix (SH) region of CoV spike (S) protein and neutralizes Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) original strain, delta, and omicron VoC, Severe Acute Respiratory Syndrome CoV (SARS-CoV), and Middle East Respiratory Syndrome CoV (MERS-CoV). To understand its mechanism of action, the crystal structure of 1249A8 bound to a MERS-CoV SH peptide was determined at 2.1 Å resolution. BNMAb 1249A8 mimics the SARS-CoV-2 S loop residues 743–749, which interacts with the N-terminal end of the SH helix in the S post-fusion conformation. The conformation of 1249A8-bound SH is distinct from the SH conformation observed in the post-fusion SARS-CoV-2 S structure, suggesting 1249A8 disrupts the secondary structure and refolding events required for CoV post-fusion S to initiate membrane fusion and ultimately infection. This study provides novel insights into the neutralization mechanisms of SH-targeting CoV BNMAbs that may inform vaccine development and the design of optimal BNMAb therapeutics.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1973

Composite materials in space structures

The use of composite materials in space vehicle structures offers significant advantages in reduction of structural weight fractions and in obtaining improved dynamic characteristics. Recent studies and developments include inertial booms for scientific satellites, structural components for future space shuttle applications, and pressurized tanks. Future applications could include major portions of vehicle primary structures as well as many secondary structural components. A number of problems still exist regarding achievement of the objectives, including development of sufficient environmental data, reliable design techniques, and general user confidence. These will be attacked in future R&D programs.

Mayer, N. J.↗

NASA NTRS1986

Polymer of phosphonylmethyl-2,4- and -2,6-diamino benzene and polyfunctional monomer

A phosphonyl methyl benzene is prepared by nitration to produce a 2,4-dinitro phosphonyl methyl benzene, which is then reduced to a diamino compound. The diamino compound is then used to cure a polymerizable monomer. The diamino compound may be polymerized with polyfunctional epoxides to produce heat and fire resistant polymer structures for making flame and fire resistant polymer structures such as for aircraft secondary structures.

Mikroyannidis, J. A.↗

DOE OSTI2024

Dynamic Implications of Noncovalent Interactions in Amphiphilic Single-Chain Polymer Nanoparticles

Single-chain polymer nanoparticles (SCNPs) combine the chemical diversity of synthetic polymers with the intricate structure of biopolymers, generating versatile biomimetic materials. The mobility of polymer chain segments at length scales similar to secondary structural elements in proteins is critical to SCNP structure and thus function. However, the influence of noncovalent interactions used to form SCNPs (e.g., hydrogen-bonding and biomimetic secondary-like structure) on these conformational dynamics is challenging to quantitatively assess. To isolate the effects of noncovalent interactions on SCNP structure and conformational dynamics, we synthesized a series of amphiphilic copolymers containing dimethylacrylamide and monomers capable of forming these different interactions: (1) di(phenylalanine) acrylamide that forms intramolecular β-sheet-like cross-links, (2) phenylalanine acrylamide that forms hydrogen-bonds but lacks a defined local structure, and (3) benzyl acrylamide that has the lowest propensity for hydrogen-bonding. Each SCNP formed folded structures comparable to those of intrinsically disordered proteins, as observed by size exclusion chromatography and small angle neutron scattering. The dynamics of these polymers, as characterized by a combination of dynamic light scattering and neutron spin echo spectroscopy, was well described using the Zimm with internal friction (ZIF) model, highlighting the role of each noncovalent interaction to additively restrict the internal relaxations of SCNPs. These results demonstrate the utility of local scale interactions to control SCNP polymer dynamics, guiding the design of functional biomimetic materials with refined binding sites and tunable kinetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Identifying candidate structured RNAs in CRISPR operons

Noncoding RNAs with secondary structures play important roles in CRISPR-Cas systems. Many of these structures likely remain undiscovered. We used a large-scale comparative genomics approach to predict 156 novel candidate structured RNAs from 36,111 CRISPR-Cas systems. A number of these were found to overlap with coding genes, including palindromic candidates that overlapped with a variety of Cas genes in type I and III systems. Among these 156 candidates, we identified 46 new models of CRISPR direct repeats and 1 tracrRNA. This tracrRNA model occasionally overlapped with predicted cas9 coding regions, emphasizing the importance of expanding our search windows for novel structure RNAs in coding regions. We also demonstrated that the antirepeat sequence in this tracrRNA model can be used to accurately assign thousands of predicted CRISPR arrays to type II-C systems. This study highlights the importance of unbiased identification of candidate structured RNAs across CRISPR-Cas systems.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1994

Lamb Wave Response of Fatigued Composite Samples

Composite materials are being more widely used today by aerospace, automotive, sports equipment, and a number of other commercial industries because of their advantages over conventional metals. Composites have a high strength-to-weight ratio and can be constructed to meet specific design needs. Composite structures are already in use in secondary parts of the Douglas MD-11 and are planned to be used in the new MD-12X. Plans also exist for their use in primary and secondary structures on the Boeing 777. Douglas proposed MD-XX may also incorporate composite materials into primary structures such as the wings and tail. Use of composites in these structures offers weight savings, corrosion resistance, and improved aerodynamics. Additionally, composites have been used to repair cracks in many B-1Bs where traditional repair techniques were not very effective. Plans have also been made to reinforce all of the remaining B-1s with composite materials. Verification of the structural integrity of composite components is needed to insure safe operation of these aerospace vehicles. One aspect of the use of these composites is their response to fatigue. To track this progression of fatigue in aerospace structures, a convenient method to nondestructively monitor this damage needs to be developed. Traditional NDE techniques used on metals are not easily adaptable to composites due to the inhomogeneous and anisotropic nature of these materials. Finding an effective means of nondestructively monitoring fatigue damage is extremely important to the safety and reliability of such structures. Lamb waves offer one method of evaluating these composite materials. As a material is fatigued, the modulus degrades. Since the Lamb wave velocity can be related to the modulus of the material, an effective tool can be developed to monitor fatigue damage in composites by measuring the velocity of these waves. In this work, preliminary studies have been conducted which monitor fatigue damage in composite samples using strain gage measurements as well as Lamb wave velocity measurements. A description of the test samples is followed by the results of two different measurements of Lamb wave velocity. The first technique is a contact measurement done at a single frequency, while the second involves an immersion study of Lamb waves in which dispersion curves are obtained. The results of the Lamb wave monitoring of fatigue damage is compared to the damage progression measured by strain gages. The final section discusses the results and conclusions.

Seale, Michael↗

NASA NTRS2006

Mode I Toughness Measurements of Core/Facesheet Bonds in Honeycomb Sandwich Structures

Composite sandwich structures will be used in many future applications in aerospace, marine and offshore industries due to the fact that the strength and stiffness to mass ratios surpass any other structural type. Sandwich structure also offers advantages over traditional stiffened panels such as ease of manufacturing and repair. During the last three decades, sandwich structure has been used extensively for secondary structure in aircraft (fuselage floors, rudders and radome structure). Sandwich structure is also used as primary structure in rotorcraft, the most common example being the trailing edge of rotor blades. As with other types of composite construction, sandwich structure exhibits several types of failure mode such as facesheet wrinkling, core crushing and sandwich buckling. Facesheet/core debonding has also been observed in the marine and aerospace industry. During this failure mode, peel stresses applied to an existing facesheet/core debond or an interface low in toughness, results in the facesheet being peeled from the core material, possibly leading to a significant loss in structural integrity of the sandwich panel. In an incident during a test on a liquid hydrogen fuel tank of the X-33 prototype vehicle, the outer graphite/epoxy facesheet and honeycomb core became debonded from the inner facesheet along significant areas, leading to failure of the tank. As a consequence of the accident; significant efforts were made to characterize the toughness of the facesheet/core bond. Currently, the only standardized method available for assessing the quality of the facesheet/core interface is the climbing drum peel test (ASTM D1781). During this test a sandwich beam is removed from a panel and the lip of one of the facesheets is attached to a drum, as shown in Fig. 1. The drum is then rotated along the sandwich beam, causing the facesheet to peel from the core. This method has two major drawbacks. First, it is not possible to obtain quantitative fracture data from the test and so the results can only be used in a qualitative manner. Second, only sandwich structure with thin facesheets can be tested (to facilitate wrapping of the facesheet around the climbing drum). In recognition of the need for a more quantitative facesheet/core fracture test, several workers have devised experimental techniques for characterizing the toughness of the facesheet/core interface. In all of these cases, the tests are designed to yield a mode I-dominated fracture toughness of the facesheet/core interface in a manner similar to that used to determine mode I fracture toughness of composite laminates. In the current work, a modified double cantilever beam is used to measure the mode I-dominated fracture toughness of the interface in a sandwich consisting of glass/phenolic honeycomb core reinforced with graphite epoxy facesheets. Two specimen configurations were tested as shown in Fig 2. The first configuration consisted of reinforcing the facesheets with aluminum blocks (Fig. 2a). In the second configuration unreinforced specimens were tested (Fig. 2b). Climbing drum peel tests were also conducted to compare the fracture behavior observed between this test and the modified double cantilever beam. This paper outlines the test procedures and data reduction strategies used to compute fracture toughness values from the tests. The effect of specimen reinforcement on fracture toughness of the facesheet/core interface is discussed.

Nettles, Alan T.↗

NASA NTRS1998

Helicity, membrane incorporation, orientation and thermal stability of the large conductance mechanosensitive ion channel from E. coli

In this report, we present structural studies on the large conductance mechanosensitive ion channel (MscL) from E. coli in detergent micelles and lipid vesicles. Both transmission Fourier transform infrared spectroscopy and circular dichroism (CD) spectra indicate that the protein is highly helical in detergents as well as liposomes. The secondary structure of the proteins was shown to be highly resistant towards denaturation (25-95 degrees C) based on an ellipticity thermal profile. Amide H+/D+ exchange was shown to be extensive (ca. 66%), implying that two thirds of the protein are water accessible. MscL, reconstituted in oriented lipid bilayers, was shown to possess a net bilayer orientation using dichroic ratios measured by attenuated total-reflection Fourier transform infrared spectroscopy. Here, we present and discuss this initial set of structural data on this new family of ion-channel proteins.

NASA Discipline Cell Biology↗

NASA NTRS1999

Early events in the folding of an amphipathic peptide: A multinanosecond molecular dynamics study

Folding of the capped LQQLLQQLLQL peptide is investigated at the water-hexane interface by molecular dynamics simulations for 161.5 ns. Initially placed in the aqueous phase as a beta-strand, the peptide rapidly adsorbs to the interface, where it adopts an amphipathic conformation. The marginal presence of nonamphipathic structures throughout the complete trajectory indicates that the corresponding conformations are strongly disfavored at the interface. It is further suggestive that folding in an interfacial environment proceeds through a pathway of successive amphipathic intermediates. The energetic and entropic penalties involved in the conformational changes along this pathway markedly increase the folding time scales of LQQLLQQLLQL, explaining why the alpha-helix, the hypothesized lowest free energy structure for a sequence with a hydrophobic periodicity of 3.6, has not been reached yet. The formation of a type I beta-turn at the end of the simulation confirms the importance of such motifs as initiation sites allowing the peptide to coalesce towards a secondary structure. Proteins 1999;36:383-399. Copyright 1999 Wiley-Liss, Inc.

NASA Center ARC↗

NASA NTRS1990

Plan, formulate, and discuss a NASTRAN finite element model of the UH-60A helicopter airframe

Under a rotorcraft structural dynamics program sponsored by the NASA Langley Research Center, Sikorsky Aircraft, together with the other major helicopter airframe manufacturers, is engaged in a study to improve the use of finite element analysis to predict the dynamic behavior of helicopter airframes. This program, which was designated DAMVIBS (Design Analysis Methods for VIBrationS), includes activities in the areas of: planning, creating, and documenting finite element models of helicopter airframes; the performance of ground vibration tests; and the correlation of test and analysis. The work performed at Sikorsky Aircraft for planning, creating, and documenting a finite element model of the UH-60A BLACK HAWK helicopter airframe is summarized. A complete description of the components of the helicopter which are to be represented in the model is presented and includes: the structural arrangement, the identification of primary and secondary structure, the components of the drive and power trains, and the attachment of large weight items to the structure. Also presented are the techniques which were used to formulate the structural finite element model for static analysis, for forming the mass and vibration models for dynamic analysis, and the procedures which were used to check out and verify the integrity of the model. Initial predictions for the vibration modes for the helicopter are included.

Dinyovszky, P.↗

NASA NTRS1991

Structure and Mechanics

Artemis is a Common Lunar Lander (CLL) design for the Space Exploration Initiative (SEI). Structure factors for the CLL's primary and secondary structures are listed in tabular form. Additionally, engineering drawings of various systems, including the propulsion and landing systems, are presented.

Sanger, George↗

DOE OSTI2022

Cryo-$\mathrm{EM}$ reveals an entangled kinetic trap in the folding of a catalytic $\mathrm{RNA}$

Functional RNAs fold through complex pathways that can contain misfolded “kinetic traps.” A complete model of RNA folding requires understanding the formation of these misfolded states, but they are difficult to characterize because of their transient and potentially conformationally dynamic nature. We used cryo–electron microscopy (cryo-EM) to visualize a long-lived misfolded state in the folding pathway of the Tetrahymena thermophilagroup I intron, a paradigmatic RNA structure-function model system. The structure revealed how this state forms native-like secondary structure and tertiary contacts but contains two incorrectly crossed strands, consistent with a previous model. This incorrect topology mispositions a critical catalytic domain and cannot be resolved locally as extensive refolding is required. This work provides a structural framework for interpreting decades of biochemical and functional studies and demonstrates the power of cryo-EM for the exploration of RNA folding pathways.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1982

A study of component design loads due to dynamic environment

The random vibration of the components of the space shuttle causing internal cargo bay acoustic impingement on the payload was investigated. The import factors to be considered in the design of acoustically loaded structures are the prediction of acoustic environment, prediction of structural response to this environment, and to determine the effect of the response on the structural strength requirements. Two basic responses were analyzed. The primary structure response due to random vibration is first analyzed. The output of primary structure response is used as an input to the secondary structure to calculate the component response.

Mehta, R. S.↗

NASA NTRS2006

Crew Launch Vehicle (CLV) Upper Stage Configuration Selection Process

The Crew Launch Vehicle (CLV), a key component of NASA's blueprint for the next generation of spacecraft to take humans back to the moon, is being designed and built by engineers at NASA s Marshall Space Flight Center (MSFC). The vehicle s design is based on the results of NASA's 2005 Exploration Systems Architecture Study (ESAS), which called for development of a crew-launch system to reduce the gap between Shuttle retirement and Crew Exploration Vehicle (CEV) Initial Operating Capability, identification of key technologies required to enable and significantly enhance these reference exploration systems, and a reprioritization of near- and far-term technology investments. The Upper Stage Element (USE) of the CLV is a clean-sheet approach that is being designed and developed in-house, with element management at MSFC. The USE concept is a self-supporting cylindrical structure, approximately 115' long and 216" in diameter, consisting of the following subsystems: Primary Structures (LOX Tank, LH2 Tank, Intertank, Thrust Structure, Spacecraft Payload Adaptor, Interstage, Forward and Aft Skirts), Secondary Structures (Systems Tunnel), Avionics and Software, Main Propulsion System, Reaction Control System, Thrust Vector Control, Auxiliary Power Unit, and Hydraulic Systems. The ESAS originally recommended a CEV to be launched atop a four-segment Space Shuttle Main Engine (SSME) CLV, utilizing an RS-25 engine-powered upper stage. However, Agency decisions to utilize fewer CLV development steps to lunar missions, reduce the overall risk for the lunar program, and provide a more balanced engine production rate requirement prompted engineers to switch to a five-segment design with a single Saturn-derived J-2X engine. This approach provides for single upper stage engine development for the CLV and an Earth Departure Stage, single Reusable Solid Rocket Booster (RSRB) development for the CLV and a Cargo Launch Vehicle, and single core SSME development. While the RSRB design has changed since the CLV Project's inception, the USE design has remained essentially a clean-sheet approach. Although a clean-sheet upper stage design inherently carries more risk than a modified design, it does offer many advantages: a design for increased reliability; built-in extensibility to allow for commonality/growth without major redesign; and incorporation of state-of-the-art materials, hardware, and design, fabrication, and test techniques and processes to facilitate a potentially better, more reliable system. Because consideration was given in the ESAS to both clean-sheet and modified USE designs, this paper will highlight the advantages and disadvantages of both approaches and provide a detailed discussion of trades/selections made that led to the final upper stage configuration.

Davis, Daniel J.↗

NASA NTRS1974

Application of advanced composites to helicopter airframe structures

The present work outlines a study whose objective was to assess the possible use of advanced composite materials to helicopter fuselage structure. The study used the CH-53D as a baseline design for comparison of composite with current conventional construction. Boron/epoxy and graphite/epoxy appeared to be the prime candidate materials for the major portion of the primary structure, while Kevlar-49/epoxy was the prime candidate material for secondary structure. A single-laminate shear-carrying skin combined with stringers and frames in an all-molded construction was considered the most promising concept for the airframe shell construction; foam-stabilized graphite/epoxy stringer was considered the prime concept for stringer construction. Shell construction and assembly concepts are discussed, and comparison of weight and material between current CH-53D airframe and the composite airframe shows that the latter may represent an 18% weight saving. Based on a fleet requirement of 600 vehicles, the operating cost for a fleet of helicopters constructed with the composite material airframe flying 500 hours a year per aircraft over a ten-year service life was calculated, indicating a $337,000 saving per helicopter.

Rich, M. J.↗

NASA NTRS2008

Evaluation of Composite Structures Technologies for Application to NASA's Vision for Space Exploration (CoSTS)

A trade study was conducted to determine the suitability of composite structures for weight and life cycle cost savings in primary and secondary structural systems for crew exploration vehicles, crew and cargo launch vehicles, landers, rovers, and habitats. The results of the trade study were used to identify and rank order composite material technologies that can have a near-term impact on a broad range of exploration mission applications. This report recommends technologies that should be developed to enable usage of composites on Vision for Space Exploration vehicles towards mass and life-cycle cost savings.

Deo, Ravi↗

NASA NTRS1990

Development of thermoplastic components for structural validation

Recent activity directed toward advancing the development and validation of graphite reinforced thermoplastic primary and secondary structures is described. The efforts discussed include the design, manufacture and test of a highly-loaded multi-spar wing-box component, and the development of a flight-worthy article that is form, fit and functionally replaceable with the nose landing gear door of the V-22 Osprey.

Avery, John G.↗

NASA NTRS1978

Composite structures for commercial transport aircraft

The development of graphite-epoxy composite structures for use on commercial transport aircraft is considered. Six components, three secondary structures, and three primary structures, are presently under development. The six components are described along with some of the key features of the composite designs and their projected weight savings.

Vosteen, L. F.↗