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At least 217 records · Page 12

Development of an Integrated Countermeasure Device for Use in Long-Duration Space Flight

Prolonged weightlessness is associated with declines in musculoskeletal, cardiovascular, and sensorimotor health. Consequently, in-flight countermeasures are required to preserve astronaut health. We developed and tested a novel exercise countermeasure device (CCD) for use in spaceflight with the aim of preserving musculoskeletal and cardiovascular health along with an incorporated balance-training component. Additionally, the CCD features a compact footprint, and a low power requirement. Methods: After design and development of the CCD, we carried out a training study to test its ability to improve cardiovascular and muscular fitness in healthy volunteers. Fourteen male and female subjects (41.4+/-9.0 years, 69.5+/-15.4Kg) completed 12 weeks (3 sessions per week) of concurrent strength and endurance training on the CCD. Subjects were tested at baseline and after 12 weeks for 1-repetition max leg press strength (1RM), peak oxygen consumption (VO2peak), and isokinetic joint torque (ISO) at the hip, knee, and ankle. Additionally, we evaluated subjects after 6 weeks of training for changes in VO2peak and 1RM. Results: VO2peak and 1RM improved after 6-weeks, with additional improvements after 12 weeks (1.95+/-0.5, 2.28+/-0.5, 2.47+/-0.6 LY/min and 131.2+/-63.9,182.8+/-75.0, 207.0+/-75.0 Kg) for baseline, 6 weeks, and 12 weeks respectively. ISO for hip adduction, adduction, and ankle plantar flexion improved after 12 weeks of training (70.3+/-39.5, 76.8+/-39.2 and 55.7+/-21.7 N-m vs. 86.1+/-37.3, 85.1+/-34.3 and 62.1+/-26.4 N-m respectively). No changes were observed for ISO during hip flexion, knee extension, or knee flexion. Conclusions: The CCD is effective at improving cardiovascular fitness and isotonic leg strength in healthy adults. Further, the improvement in hip adductor and abductor torque provides support that the CCD may provide additional protection for the preservation of bone health at the hip.

Streeper, Tim↗

Age Induced Effects on ESD Characteristics of Solar Array Coupons After Combined Space Environmental Exposures

A set of multi-junction GaAs/Ge solar array test coupons provided by Space Systems/Loral were subjected to a sequence of 5-year increments of combined space environment exposure tests. The test coupons capture an integrated design intended for use in a geosynchronous (GEO) space environment. A key component of this test campaign is performing electrostatic discharge (ESD) tests in the inverted gradient mode. The protocol of the ESD tests is based on the ISO standard for ESD testing on solar array panels [ISO-11221]. The test schematic in the ISO reference has been modified with Space System/Loral designed circuitry to better simulate the on-orbit operational conditions of its solar array design. Part of the modified circuitry is to simulate a solar array panel coverglass flashover discharge. All solar array coupons used in the test campaign consist of four cells constructed to form two strings. The ESD tests were performed at the beginning-of-life (BOL) and at each 5-year environment exposure point until end-of-life (EOL) at 15 years. The space environmental exposure sequence consisted of ultra-violet radiation, electron/proton particle radiation, thermal cycling, and Xenon ion thruster plume erosion. This paper describes the ESD test setup and the importance of the electrical test design in simulating the on-orbit operational conditions. Arc inception voltage results along with ESD test behavior from the BOL condition through the 15th year age condition are discussed. In addition, results from a Xenon plasma plume exposure test with an EOL coupon under the full ESD test condition will be discussed.

Wright, Kenneth H.↗

Making Interoperability Easier with NASA's Metadata Management Tool (MMT)

While the ISO-19115 collection level metadata format meets many users' needs for interoperable metadata, it can be cumbersome to create it correctly. Through the MMT's simple UI experience, metadata curators can create and edit collections which are compliant with ISO-19115 without full knowledge of the NASA Best Practices implementation of ISO-19115 format. Users are guided through the metadata creation process through a forms-based editor, complete with field information, validation hints and picklists. Once a record is completed, users can download the metadata in any of the supported formats with just 2 clicks.

metadata quality↗

Evaluating Process Effectiveness to Reduce Risk

It is well documented that government agencies do not have the same incentive as the private sector to focus on process effectiveness and continual improvement of those processes. It is also well documented whenever government agencies fail to deliver efficient, effective, consistent, and fair services to the citizens. In spite of the various "reinventing government" and "effectiveness initiatives" of the past decades, and in spite of the efforts on the part of many agencies to improve, government in general still lags behind industry in creating a culture of effective processes and systems. While the tragic events that unfolded recently in Flint, Michigan, teach us that running government "like a business" does not always take the needs of the citizenry into account, there are many lessons and techniques from the private sector that government agencies can use to improve. The incentive to improve, while mandated by various administrations1, needs to come from within the workforce, in order to effectively take root. The best, most effective incentive is to reduce, control or eliminate risk. Government agencies face some of the same risks as the private sector, while some are unique. While ISO 310002 has been around since 2009, risk has taken on increased visibility within the private sector with the advent of the emphasis on risk-based thinking in ISO 9001:20153. The relationship between risk-based thinking and effective processes is simple and direct. Those processes that are well thought out and standardized (i.e. Plan-Do-Check-Act), will have taken into account the applicable policy, statutory, regulatory, safety, quality and technical parameters, which may not occur to someone performing the process with minimal experience or training; and thus protect the employees, the public and the agency from statutory and regulatory violations; delay in providing services; non-delivery of services; harm to public or employee safety and health; cost overruns; breaches in security; loss of confidence in government; failure of publicly funded projects; damage to the environment; ethics violations, and the list goes on; with local, national and even international consequences. The Plan-Do-Check-Act process, also known as the "process approach" can be used at any time to establish and standardize a process, and it can also be used to check periodically for "process creep" (i.e., informal, unauthorized changes that have occurred over time), any necessary updates and improvements. While ISO 9001 compliance is not mandated for all government agencies, if interpreted correctly, it can be useful in establishing a framework and implementing effective management systems and processes.4 Another method that can be used to evaluate effectiveness is the scorecard definitions in Mallory's Process Management Standard5 as a basis for evaluating work on the process level on effective, and continuously improved and improving processes. With processes on the lower end of the scale, agencies are vulnerable to a great many risks, with employees and managers making up many of the rules as they go, leading to the above listed negative results. Without clear guidance for nominal operations, off-nominal situations can, and do, increase the likelihood of chaos. In an increasingly technical environment, with inter-agency communication and collaboration becoming the norm, agencies need to come to grips with the fact that processes can become rapidly outdated, and that the technical community should take on an increased role in the maturation of the agency's processes. Industry has long known that effective processes are also efficient, and process improvement methods such as Kaizen, Lean, Six Sigma, 5S, and mistake proofing lead to increased productivity, improved quality, and decreased cost. Again, government agencies have different concerns, but inefficiencies and mistakes can have dire and wide reaching consequences for the public that they serve. While no one goes to work planning to cause harm, it is up to agencies to establish upper level systems, which make establishment and compliance with processes possible. Again, Mallory provides us with a Systems Management Standard6, similar to the Process Management Standard, with a scale of 0-5 for systems effectiveness and maturity. Deming determined that "eighty-five percent of the reasons for failure are deficiencies in the systems and process rather than the employee. The role of management is to change the process rather than badgering individual employees to do better." 7 It is not just the working level employees who need effective processes, but the mid-and upper level managers as well. A disciplined management culture sets the tone for the employees, aids both routine and off-nominal decision-making, and incorporates risk -based thinking into the systems and processes as a matter of normal activity. Figure 1, illustrates the relationship between ineffective and effective processes and risk, through the use of the "stoplight" colors that are commonly used to show serious situations (red), situations which may be improving or deteriorating depending on trends (yellow), and situations that are under control and continuously improved (green).

Shepherd, Christena C.↗

It's All Relative: A Validation of Radiation Quality Comparison Metrics

The difference between high-LET and low-LET radiation is quantified by a measure called relative biological effectiveness (RBE). RBE is defined as the ratio of the dose of a reference radiation to that of a test radiation to achieve the same effect level, and thus, is described either as an iso-effector dose-to-dose ratio. A single dose point is not sufficient to calculate an RBE value; therefore, studies with only one dose point usually calculate an effect-to-effect ratio. While not formally used in radiation protection, these iso-dose values may still be informative. Shuryak, et al 2017 investigated the use of an iso-dose metric termed "radiation effects ratio" (RER) and used both RBE and RER to estimate high-LET risks. To apply RBE or RER to risk prediction, the selected metric must be uniquely defined. That is, the calculated value must be consistent within a model given a constant set of constraints and assumptions, regardless of how effects are defined using statistical transformations from raw endpoint data. We first test the RBE and the RER to determine whether they are uniquely defined using transformations applied to raw data. Then, we test whether both metrics can predict heavy ion response data after simulated effect size scaling between human populations or when converting animal to human endpoints.

Chappell, Lori J.↗

Standards and Best Practices - Two NASA Examples

Formal international standards as well as promotion of community or recommended practices have their place in ensuring "FAIRness" of data. Data management in NASA's Earth Observation System Data and Information System (EOSDIS) has benefited from both of these avenues to a significant extent. The purpose of this paper is to present one example of each of these, which promote (re)usability. The first is an ISO standard for specifying preservation content from Earth observation missions. The work on this started in 2011, informally within the Earth Science Information Partners (ESIP) in the US, while the European Space Agency (ESA) was leading an effort on Long-Term Data Preservation (LTDP). Resulting from the ESIP discussions was NASA's Preservation Content Specification, which was applied in 2012 as a requirement for NASA's new missions. ESA's Preserved Data Set Content (PDSC) document was codified into a document adopted by the Committee on Earth Observation Satellites (CEOS). It was recognized that it would be useful to combine PCS and PDSC into an ISO standard to ensure consistency in data preservation on a broader international scale. This standard, numbered ISO 19165-2 has been under development since mid-2017. The second is an example of developing recommendations for "best practices" within more limited (still fairly broad) communities. A Data Product Developers' Guide (DPDG) is currently being developed by one of NASA's Earth Science Data System Working Groups (ESDSWGs). It is for use by developers of products to be derived from Earth observation data to improve product (re)usability. One of the challenges in developing the guide is the fact that there are already many applicable standards and guides. The relevant information needs to be selected and expressed in a succinct manner, with appropriate pointers to references. The DPDG aims to compile the most applicable parts of earlier guides into a single document outlining the typical development process for Earth Science data products. Standards and best practices formally endorsed by the Earth Science Data and Information System (ESDIS) Standards Office (ESO), outputs from ESDSWGs (e.g., Dataset Interoperability Working Group, and Data Quality Working Group), and recommendations from Distributed Active Archive Centers and data producers are emphasized.

Ramapriyan, Hampapuram↗

The Role of Oceanic Processes in the Initiation of Boreal Winter Intraseasonal Oscillations over the Indian Ocean

Observational analyses and a hierarchy of ocean general circulation model (OGCM) experiments were performed to understand the influence of oceanic processes on the warm sea surface temperature anomalies (SSTAs) prior to the convection initiation of boreal winter intraseasonal oscillations (ISOs), including the Madden-Julian Oscillation (MJO), in the equatorial Indian Ocean. We found 39 strong ISOs that passed over the Indian Ocean Warm Pool region during the November-April season of the 2001-2012 period. 17/39 ISO events initiated in the Seychelles-Chagos Thermocline Ridge (SCTR) before propagating eastward; the remaining events initiated in the southern Arabian Sea (6) or Warm Pool (16) regions. The SCTR event set was notable in that it contained more global-scale MJOs (71-76%), as defined by the RMM and OMI indices, than the WP events (25-44%). Additionally, ~24% (44%) of the SCTR (Warm Pool) events were preceded by strong oceanic process-induced SSTAs of similar magnitude to those of shortwave radiative and turbulent heat fluxes. The Arabian Sea events, however, were not associated with statistically significant SSTA signals prior to convection. Based on a mixed layer heat budget analysis, entrainment and upwelling reduction were the dominant oceanic processes contributing to the warming, in contrast with boreal summer, when horizontal advection dominated. We examined several case studies, including primary MJO events, where oceanic Rossby waves were associated with the entrainment and upwelling reduction. Two simple atmospheric boundary layer convergence models revealed that the SSTAs contributed at least half of the total convergence and suggested that the ocean dynamical effect was responsible for the majority of SSTA-forced convergence for those case studies. These results underscore the need for climate prediction models to accurately represent the ocean structure and processes to include the effects of oceanic predictors.

West, B. Jason↗

The Role of Oceanic Processes in the Initiation of Boreal Winter Intraseasonal Oscillations Over the Indian Ocean

Observational analyses and ocean general circulation model experiments were performed to understand the influence of oceanic processes on warm sea surface temperature anomalies (SSTAs) prior to convection initiation of boreal winter intraseasonal oscillations (ISOs), including the Madden‐Julian Oscillation (MJO), in the tropical Indian Ocean. We found 39 strong ISOs that passed over the Indian Ocean Warm Pool (WP) region during the November–April season of the 2001–2012 period. Seventeen of them (44%) initiated over the Seychelles‐Chagos Thermocline Ridge (SCTR) before propagating eastward to the WP and Maritime Continent. Including only global‐scale MJOs, 71% (24%) of the remaining MJO events initiated from the SCTR (WP). Four (seven) SCTR (WP) ISO events were preceded by SSTAs that were strongly influenced by wind stress‐driven oceanic processes; all four (2/7) SCTR (WP) events were MJOs. Composite analyses of the four oceanic process influenced SCTR MJO events showed that wind stress‐driven oceanic processes contributed about 30% (between 0.1 and 0.2 °C) of the preconvection warming in the SCTR, which coincides with the Intertropical Convergence Zone with mean SST > 28 °C. Reduced upwelling and entrainment played a more important role than horizontal advection in elevating the +SSTAs. Case studies revealed that the two ocean process‐influenced primary MJO SCTR events were also associated with oceanic equatorial Rossby waves. Furthermore, results of a linear atmospheric mixed layer model indicated that boundary layer processes related to SSTAs contributed approximately half of the total convergence during MJO initiation, relative to the effect of the free troposphere, for the Rossby wave‐influenced events.

MJO Initiation↗

Rapid Response Missions to Near-Earth Objects, Interstellar Objects, and Long-Period Comets

Over the last several years there has been growing recognition that detailed knowledge of certain classes of small bodies can only be attained through rapid response missions. For example, the development of rapid response mission capabilities has recently been driven by the discovery of the first two interstellar objects (ISOs), the desire for in-situ data of long-period comets (LPCs), and the realization that the next damaging Earth-impact event will likely be from a relatively small, but still hazardous near-Earth object (NEO). Moreover, one of the primary recommendations from the recent National Academies Planetary Science and Astrobiology Decadal Survey supports a rapid reconnaissance planetary defense demonstration mission. In addition, NASA’s Science Mission Directorate concurs with the Decadal Survey recommendation, and states that development of such a capability could also enhance opportunities for the study of ISOs and LPCs. Knowledge of all three of these small body populations will ultimately increase in the upcoming years as the next-generation survey systems Vera Rubin Observatory and NEO Surveyor come online. These systems will provide the data required to assess these populations and identify appropriate targets of opportunity which would enable NASA and the international community to quickly respond to an emerging target such as a NEO, ISO, or LPC.

Paul Alexander Abell↗

Genesis Solar Wind – Capture, Return, Curate and Analyze: Looking Backward and Creating a Timeline

Introduction: In 1997 NASA’S Discovery Program selected the Genesis mission proposal to return solar wind samples to Earth for laboratory analyses. Principal Investigator Donald S. Burnett and the science team defined the purity of collector materials and ability to analyze solar wind composition to the precision required for planetary science. As a small mission, focused on a well-defined science goal, yet needing careful attention to engineering details, the communication among scientists and engineers, nurtured by Don Burnett, was exceptional. Genesis Mission and Curation Legacy: Genesis, as the first U. S. spacecraft to return astromaterial samples since Apollo, not only integrated the mission planning and flight teams, but also the science and sample curation teams during the mission development period. Since Genesis is a sample return mission, the Science Team was essential in certifying the collectors (sample containers for solar atoms). From inception, Genesis established mission funding for returned sample curation. JSC was lead in contamination control during mission preparation, including establishment of an ISO 4 cleanroom facility and use of ultrapure water (UPW) for cleaning flight hardware (and, as it turned out, for cleaning collectors after the mishap). Reliable, fast communication among scientists, engineers and curators at the hands-on level established deep respect among team members and efficient decision-making. JSC’s 50-years of astromaterial sample curation provided experienced sample processors onsite during recovery in Utah (a deep bench for emergency response). Post-recovery curation included iterative collaboration with science sample users to clean or verify cleanliness of samples. The science legacy from Genesis is addressed by Burnett and Jurewicz, this volume. In The Beginning: After Apollo sample return, Burnett and Marcia Neugebauer at JPL began discussing a solar wind sample return, with Neugebauer arguing that separate collection of solar wind regimes was essential science. By 1992 a solar wind sample return mission was presented at a workshop, and by 1994 a mission was proposed named Suess-Urey. The mission was re-proposed under a new name GENESIS and selected in 1997. Susan Niebur captured the Genesis mission history and stories, from high level management documents and from many interviews with participants [2]. Her account lets readers glimpse personality of participants in quotations from interviews. Need and Scope for Detailed Technical Timeline: A timeline constructed from lower level task documents has been initiated to document the resources and skills actually used, as well as task sequence or concurrency. Timelines for high level mission events are captured in two documents [1] [2] and for detailed re-entry events in [3]. A detailed technical timeline for Genesis mission and curation activities will provide data points for lower level tasks, such as ISO 4 curation facility construction time, preparation for nominal sample field recovery, mishap recovery, and UPW expansion. Changes in technology context 1990-2024: Semiconductor technologies were easily accessible in the U.S.A. (1990-1999), and the Genesis team used those resources for cleanroom design and UPW system expansion. Image documentation was changing from film to digital during cleanroom construction and payload cleaning (1997-2001). Engineering design was done using computer aided design proprietary software, making more difficult the archiving of payload configuration and materials. Email of documents, tracked delivery service and virtual meeting capability greatly improved communication efficiency. Information sources – Pre-launch mission preparation: Examples of mission science, engineering and contamination control are collector purity testing, payload design/fabrication and ISO 4 cleanroom construction. Information on timing of these activities comes from facility readiness reviews, management reviews, shipping documents, procurement documents, test reports, travel documents, laboratory logs, Quality Assurance documents, dates on images, participant notebooks and emails. Information sources – Sample return re-entry and field recovery activities: Information comes from event timelines produced by Mid-Air Recovery team, Lockheed team lead notes and from chase video, JPL Quality Assurance. Information also comes from images and logbooks from UTTR cleanroom operations and from curatorial documents. Information sources – Resulting science and sample cleaning processes: Agendas from the annual gatherings of the science team initially trace testing for collector purity/cleanliness, and after sample recovery, include collector cleaning and cleanliness assessment. Post-recovery documents include curatorial orders and procedures, sample allocation documents and LPSC abstracts. Timeline Objectives: A simple spreadsheet timeline with headers DATE, EVENT, PEOPLE, COMMENT, INFORMATION SOURCE has been initiated and currently has over 90 entries. While this is not definitive historical research, it is a quick look at the evolution of Genesis curation with pointers to documents or people with information. Engineers for future missions may find useful points of comparison for development of facilities. References:[1] Genesis Mission Reference Document, (2011) JPL D-62382.[2] Niebur S. M., edited by Brown D. W. (2023) NASA’s Discovery Program: The First 20 Years of Competitive Planetary Exploration, NASA-SP-2023-4238.[3] Genesis Mishap Investigation Board Report, Vol. 1 (July 2005).

solar wind↗

The Linear Point Standard Ruler with DESI DR1 and DR2 Data

The linear point, a purely geometric feature in the monopole of the two-point correlation function, has been proposed as an alternative standard ruler. Compared to the peak in the correlation function, it is more robust to late-time nonlinear effects at the percent level. In light of improved simulations and high quality data, we revisit the robustness of the linear point and use it as an alternative to template-based fitting approaches typically used in BAO analyses. We present the linear point measurements on galaxy samples from the first and second data releases (DR1 and DR2) of the DESI survey. We convert the linear point into a dimensionless parameter $α_{iso,LP}$, defined as the ratio of the linear point in the fiducial cosmology and the observed value, analogous to the isotropic BAO scaling parameter $α_{iso}$ used in previous BAO measurements. Using the 2nd generation of AbacusSummit mock catalogs, we find that linear point measurements are more precise when calculated in the post-reconstruction regime with 15-60% smaller uncertainties than those pre-reconstruction. We find a systematic shift in the linear point measurements compared against the isotropic BAO measurements in mocks; we attribute this to the isotropic damping parameter responsible for smearing the linear point in the nonlinear regime. We propose a sample-dependent correction that mitigates the impact of late-time nonlinear effects. While this introduces a cosmology dependence in an otherwise model-independent measurement, this is necessary given the sub-percent precision dictated by current cosmological surveys. Comparing $α_{iso,LP}$ with isotropic BAO measurements made on the DESI DR1 and DR2 galaxy samples, we find excellent agreement after applying this correction, particularly post-reconstruction. We discuss future scope regarding cosmological inference with linear point measurements.

Uberoi, N. [Yale U.] (ORCID:0000000275179629)↗

Best Practices for Measuring the Modulation Transfer Function of Video Endoscopes

Endoscopes are crucial for assisting in surgery and disease diagnosis, including the early detection of cancer. The effective use of endoscopes relies on their optical performance, which can be characterized with a series of metrics such as resolution, vital for revealing anatomical details. The modulation transfer function (MTF) is a key metric for evaluating endoscope resolution. However, the 2020 version of the ISO 8600-5 standard, while introducing an endoscope MTF measurement method, lacks empirical validation and excludes opto-electronic video endoscopes, the largest family of endoscopes. Measuring the MTF of video endoscopes requires tailored standards that address their unique characteristics. This paper aims to expand the scope of ISO 8600-5:2020 to include video endoscopes, by optimizing the MTF test method and addressing parameters affecting measurement accuracy. We studied the effects of intensity and uniformity of image luminance, chart modulation compensation, linearity of image digital values, auto gain control, image enhancement, image compression and the region of interest dimensions on images of slanted-edge test charts, and thus the MTF based on these images. By analyzing these effects, we provided recommendations for setting and controlling these factors to obtain accurate MTF curves. Our goal is to enhance the standard’s relevance and effectiveness for measuring the MTF of a broader range of endoscopic devices, with potential applications in the MTF measurement of other digital imaging devices.

47 OTHER INSTRUMENTATION↗

ANS-8 Subcommittee Forum [Slides]

This presentation goes over membership of ANS-8 subcommittee (SC) and WGs. Additionally discussed is ANS-8 SC and NCSCC ballots for ANS-8 standards since the last meeting, ANS-8 business, ISO TC85/SC5/WG8 September Meeting – quick summary. Working Group Chair Reports, ISO TC85/SC5/WG8 “Nuclear Criticality Safety” committee, and How to volunteer/participate.

ANS-8 Standards↗

Soot formation and precursor chemistry in Counterflow flames of aviation fuel surrogates

To meet market demands, the aviation sector is interested in utilizing drop-in Synthetic Aviation Turbine Fuels (SATF), either as neat fuels or in blends with conventional Jet A. SATF currently approved in standard specifications may have lower aromatic content with significant fractions of normal, branched, and cyclo-alkanes. Fundamental studies on soot formation from aviation fuels (Jet A, SATF) and their surrogate components are essential to understand how fuel composition influences soot and soot precursor formation. Here, this study reports new measurements of polycyclic aromatic hydrocarbons (PAH) and soot in counterflow diffusion flames (CDFs) of aviation fuel surrogates. Both intrusive and non-intrusive diagnostics are employed to determine the profiles of temperature, gas phase species, PAHs (up to C16), and soot volume fraction (SVF) in CDFs of iso-octane and surrogate mixtures. These measurements shed light on the transition of soot precursors to primary soot particles. In addition to serving as a common surrogate component in Jet A surrogate mixtures, iso-octane is a template species for larger, less volatile branched alkanes found in SATF mixtures. The newly developed Lawrence Livermore National Laboratory (LLNL) PAH and soot model successfully captures temperature, precursor species, and SVF profiles for the mixtures and conditions discussed in this work. Finally, a high-fidelity surrogate for Jet A is proposed that matches targeted physical and chemical properties well, while leveraging the wide range of candidate fuel molecules available in the LLNL detailed chemical model. The proposed surrogate formulation is validated against newly acquired measurements of the surrogate and literature measurements of Jet A. These new experiments and simulations provide critical insights into the PAH and soot formation from aviation fuels. Reaction pathways which require further investigation are highlighted, such that future work may bridge the remaining quantitative gaps in predicting soot formation from aviation fuel surrogates and surrogate components.

Aviation fuels↗

UV-Induced Reaction Pathways in Bromoform Probed with Ultrafast Electron Diffraction

For many chemical reactions, it remains notoriously difficult to predict and experimentally determine the rates and branching ratios between different reaction channels. This is particularly the case for reactions involving short-lived intermediates, whose observation requires ultrafast methods. The UV photochemistry of bromoform (CHBr 3 ) is among the most intensely studied photoreactions. Yet, a detailed understanding of the chemical pathways leading to the production of atomic Br and molecular Br 2 fragments has proven challenging. In particular, the role of isomerization and/or roaming and their competition with direct C–Br bond scission has been a matter of continued debate. Here, in this work, gas-phase ultrafast megaelectronvolt electron diffraction (MeV-UED) is used to directly study structural dynamics in bromoform after single 267 nm photon excitation with femtosecond temporal resolution. The results show unambiguously that isomerization contributes significantly to the early stages of the UV photochemistry of bromoform. In addition to direct C–Br bond breaking within <200 fs, formation of iso-CHBr 3 (Br-CH-Br-Br) is observed on the same time scale and with an isomer lifetime of >1.1 ps. The branching ratio between direct dissociation and isomerization is determined to be 0.4 ± 0.2:0.6 ± 0.2, i.e., approximately 60% of molecules undergo isomerization within the first few hundred femtoseconds after UV excitation. The structure and time of formation of iso-CHBr 3 compare favorably with the results of an ab initio molecular dynamics simulation. The lifetime and interatomic distances of the isomer are consistent with the involvement of a roaming reaction mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A ligand discovery toolbox for the WWE domain family of human E3 ligases

The WWE domain is a relatively under-researched domain found in twelve human proteins and characterized by a conserved tryptophan-tryptophan-glutamate (WWE) sequence motif. Six of these WWE domain-containing proteins also contain domains with E3 ubiquitin ligase activity. The general recognition of poly-ADP-ribosylated substrates by WWE domains suggests a potential avenue for development of Proteolysis-Targeting Chimeras (PROTACs). Here, we present novel crystal structures of the HUWE1, TRIP12, and DTX1 WWE domains in complex with PAR building blocks and their analogs, thus enabling a comprehensive analysis of the PAR binding site structural diversity. Furthermore, we introduce a versatile toolbox of biophysical and biochemical assays for the discovery and characterization of novel WWE domain binders, including fluorescence polarization-based PAR binding and displacement assays, 15 N-NMR-based binding affinity assays and 19 F-NMR-based competition assays. Through these assays, we have characterized the binding of monomeric iso -ADP-ribose ( iso -ADPr) and its nucleotide analogs with the aforementioned WWE proteins. Finally, we have utilized the assay toolbox to screen a small molecule fragment library leading to the successful discovery of novel ligands targeting the HUWE1 WWE domain.

59 BASIC BIOLOGICAL SCIENCES↗

Shear strength of a refractory high entropy alloy MoNbTaVW under high pressure

Radial X-ray diffraction (R-XRD) was performed in situ using a Panoramic Diamond Anvil Cell on the refractory high entropy alloy MoNbTaVW. The lattice parameters were determined through a Le Bail fit using a body centered cubic (BCC) lattice of symmetry $Im$$\overline{3}$$m$ (international space group number 229). Upper and lower bounds to the shear strength were determined up to 80 GPa nonhydrostatically using copper as a pressure standard. The equation of state was derived at the magic angle ψ = 54.7° and yielded a bulk modulus of K 0 = 220.8 ± 1.65 GPa. The experimental lattice parameters and bulk modulus match closely with corresponding density functional theory (DFT) calculations. The BCC phase remains stable up to the highest pressure of 80 GPa studied and is shown to be elastically anisotropic. The shear strength was found to saturate around 70 GPa with a value of τ = 1.75 GPa, and the shear moduli are presented in different limits of iso-strain and iso-stress.

36 MATERIALS SCIENCE↗

HOD-dependent systematics for luminous red galaxies in the DESI 2024 BAO analysis

In this paper, we present the estimation of systematics related to the halo occupation distribution (HOD) modeling in the baryon acoustic oscillations (BAO) distance measurement of the Dark Energy Spectroscopic Instrument (DESI) 2024 analysis. This paper focuses on the study of HOD systematics for luminous red galaxies (LRG). We consider three different HOD models for LRGs, including the base 5-parameter vanilla model and two extensions to it, that we refer to as baseline and extended models. The baseline model is described by the 5 vanilla HOD parameters, an incompleteness factor and a velocity bias parameter, whereas the extended one also includes a galaxy assembly bias and a satellite profile parameter. We utilize the 25 dark matter simulations available in the AbacusSummit simulation suite at z=0.8 and generate mock catalogs for our different HOD models. To test the impact of the HOD modeling in the position of the BAO peak, we run BAO fits for all these sets of simulations and compare the best-fit BAO-scaling parameters α iso and α AP between every pair of HOD models. Furthermore, we do this for both Fourier and configuration spaces independently, using post-reconstruction measurements. We find a 3.3σ detection of HOD systematic for α AP in configuration space with an amplitude of 0.19%. For the other cases, we did not find a 3σ detection, and we decided to compute a conservative estimation of the systematic using the ensemble of shifts between all pairs of HOD models. By doing this, we quote a systematic with an amplitude of 0.07% in α iso for both Fourier and configuration spaces; and of 0.09% in α AP for Fourier space.

79 ASTRONOMY AND ASTROPHYSICS↗