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At least 127 records · Page 7

Phylodynamics of SARS-CoV-2 Lineages B.1.1.7, B.1.1.529 and B.1.617.2 in Nigeria Suggests Divergent Evolutionary Trajectories

Background: The early months of the COVID-19 pandemic were characterized by high transmission rates and mortality, compounded by the emergence of multiple SARS-CoV-2 lineages, including Variants of Concern (VOCs). This study investigates the phylodynamic and spatio-temporal trends of VOCs during the peak of the pandemic in Nigeria. Methods: Whole-genome sequencing (WGS) data from three major VOCs circulating in Nigeria, B.1.1.7 (Alpha), B.1.617.2 (Delta), and B.1.1.529 (Omicron), were analyzed using tools such as Nextclade, R Studio v 4.2.3, and BEAST X v 10.5.0. The spatial distribution, evolutionary history, viral ancestral introductions, and geographic dispersal patterns were characterized. Results: Three major lineages following WHO nomenclature were identified: Alpha, Delta, and Omicron. The Delta variant exhibited the widest geographic spread, detected in 14 states, while the Alpha variant was the least distributed, identified in only eight states but present across most epidemiological weeks studied. Evolutionary rates varied slightly, with Alpha exhibiting the slowest rate (2.66 × 10 −4 substitutions/site/year). Viral population analyses showed distinct patterns: Omicron sustained elevated population growth over time, while Delta declined after initial expansion. The earliest Times to Most Recent Common Ancestor (TMRCA) were consistent with the earliest outbreaks of SARS-CoV-2 globally. Geographic transmission analysis indicated a predominant coastal-to-inland spread for all variants, with Omicron showing the most diffuse dispersal, highlighting commercial routes as significant drivers of viral diffusion. Conclusion: The SARS-CoV-2 epidemic in Nigeria was characterized by multiple variant introductions and a dominant coastal-to-inland spread, emphasizing that despite lockdown measures, commercial trade routes played a critical role in viral dissemination. These findings provide insights into pandemic control strategies and future outbreak preparedness.

Nigeria↗

TDCOSMO - XVII. New time delays in 22 lensed quasars from optical monitoring with the ESO-VST 2.6m and MPG 2.2m telescopes

We present new time delays, the main ingredient of time delay cosmography, for 22 lensed quasars resulting from high-cadence r-band monitoring on the 2.6 m ESO VLT Survey Telescope and Max-Planck-Gesellschaft 2.2 m telescope. Each lensed quasar was typically monitored for one to four seasons, often shared between the two telescopes to mitigate the interruptions forced by the COVID-19 pandemic. The sample of targets consists of 19 quadruply and 3 doubly imaged quasars, which received a total of 1918 hours of on-sky time split into 21 581 wide-field frames, each 320 seconds long. In a given field, the 5-σ depth of the combined exposures typically reaches the 27th magnitude, while that of single visits is 24.5 mag – similar to the expected depth of the upcoming Vera-Rubin LSST. The fluxes of the different lensed images of the targets were reliably de-blended, providing not only light curves with photometric precision down to the photon noise limit, but also high-resolution models of the targets whose features and astrometry were systematically confirmed in Hubble Space Telescope imaging. This was made possible thanks to a new photometric pipeline, lightcurver, and the forward modelling method STARRED. Finally, the time delays between pairs of curves and their uncertainties were estimated, taking into account the degeneracy due to microlensing, and for the first time the full covariance matrices of the delay pairs are provided. Of note, this survey, with 13 square degrees, has applications beyond that of time delays, such as the study of the structure function of the multiple high-redshift quasars present in the footprint at a new high in terms of both depth and frequency. The reduced images will be available through the European Southern Observatory Science Portal.Key words: methods: data analysis / surveys / distance scale

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A Hands-On Curriculum for Training in HPC Cluster Deployment and Management

This paper presents the design, methodology, and outcomes of the High-Performance Computing Technologies (HPCT) course, a hands-on training program focused on the system-side of HPC cluster deployment and administration. Delivered as part of the Master in High Performance Computing (MHPC) program, the course introduces students to key concepts in cluster configuration, including networking, software stack provisioning, job scheduling, and monitoring. Initially taught in person, the course was transitioned to an online format during the COVID-19 pandemic. This shift led to the development of openly available instructional material and a flipped-classroom approach that continues to support both in-person and hybrid delivery. All course materials are publicly available at www.hpc.temple.edu/mhpc/hpc-technology/index.html. By documenting the structure, infrastructure, and evolution of HPCT, this paper offers a model for accessible HPC system training that supports workforce development in computational science.

Posada Correa, Fernando [ORNL] (ORCID:000000022565↗

Novel High Barrier Films for Packaging Food and Medicine

Long manned missions require food packaging to maintain food safety, nutrition, and acceptability for the length of 3-5 years1,2 while the shelf life assigned by NASA for current provisions is 18-24 months1. The focus of this design project was to make a polymer film specifically to function as a high oxygen barrier to later be included in an improved multi-layer packaging system of other specialized polymers with capabilities to allow for a 5-year shelf-life. To qualify as a high oxygen barrier film and to be a successful design for the future packaging, the resulting film is required to have an oxygen transmission rate (OTR) less than 0.06 cc/ m2/24 hr/atm, the standard for the current packaging3. This new film was designed to have a decreased permeability by increasing the “tortuous path” a gas molecule travels to permeate through a film. The increase in the “tortuous path” of a gas molecule is accomplished by introducing a 2D material additive. The additive chosen for this project was hexagonal boron nitride (h-BN) which exfoliates into boron nitride nanosheets (BNNs). Nylon 6 was chosen as the candidate for the matrix. This project is required to determine the best methods to synthesize the sample film and then to test the OTR of the film to determine if this design was successful. This project examined methods for pulverizing polymer resin pellets, h-BN exfoliation, and film fabrication using a hot press. This report includes the exfoliation and analysis of h-BN, procedural preparations for films, and a modeling study of estimated OTR of the h-BN/Nylon. The work in this report did not yield a high barrier composite film because of the laboratory closure in response to COVID -19 guidance but provides a concise method of the additive preparation and film synthesis. This gives a good starting point for future research in high barrier films by 2D additive composites.

Polymer, Nylon, PET, boron nitride, nanocomposite↗

AERoBOND Project Summary

Under NASA’s Convergent Aeronautics Solutions (CAS) project, the Adhesive-Free Bonding of Complex Composites (AERoBOND) project investigated off-stoichiometric epoxy polymers for fast, reliable assembly of epoxy matrix composite structures. The project goal was to demonstrate feasibility of the AERoBOND joining method by demonstrating mechanical properties greater than 80% of conventional co-cured materials while reducing structure weight by 1%. The project consisted of three convergent research areas: material and process development, systems analysis, and material and process modeling. Material and process development was the largest component of AERoBOND with approximately 6 FTE and 1WYE of support to formulate and characterize new resins, prepare carbon fiber prepregs, fabricate laminates, measure mechanical properties, analyze failure results, and select material and process improvements. The systems analysis activity estimated the potential reduction in part count and aircraft weight by comparing models of composite wing boxes with no fasteners (co-cured structure), fasteners in major joints (co-cured stringers), and fasteners in all joints. The materials and process modeling activity included a molecular model of the AERoBOND materials system to predict mechanical properties of resins with offset stoichiometry and a process model to predict the effect of resin formulation and processing conditions on the extent of mixing and degree of cure in a finished joint. As the number of airline passenger trips doubles in the next 20 years (IATA/Tourism Economics Air Passenger Forecasts, April 2019), the increased demand for new commercial aircraft is now the single greatest technical challenge to the airframe manufacturing industry. To meet efficiency requirements, new aircraft must be fabricated primarily from high performance structural composites, but manufacturing processes are inherently slow with the largest bottleneck attributed to assembly and installation of fasteners (NASA/TM–2019-220428). Manufactures of commercial transport aircraft are compelled to install more than 100,000 redundant fasteners into bonded joints to prevent failures due to unpredictable weak bonds. In structural adhesive bonds, the interface between adherend and adhesive is nearly two-dimensional making it susceptible to minute quantities of contamination, which can cause weak bonds. Currently, bond strength assessment is only possible through destructive testing (i.e., breaking the joint). For these reasons, regulatory organizations such as the Federal Aviation Administration (FAA) often require redundant load paths in secondary-bonded, primary-structures to alleviate concerns with bond performance. The AERoBOND process enables reflow of matrix resin during assembly to eliminate the material discontinuity at the interface, thereby eliminating the dependence of mechanical performance on interfacial adhesion. The AERoBOND joint is equivalent to the interlaminar region obtained during a co-cure process, so joint performance depends on the cohesive properties of the matrix resin. Conventional co-cured structures, although too costly and complex for large-scale manufacturing, are trusted by manufacturers and regulators, and are certified for flight with few or no redundant fasteners.Systems analysis performed on a composite wing model at the scale of a single-aisle commercial transport aircraft indicated that >20,000 redundant fasteners per wing could be eliminated by implementing the AERoBOND joining method. A total weight reduction of 15% was predicted in a wing box by eliminating fasteners and thinning components that must no longer support localized fastener loads and accommodate fastener dimensions. Interlaminar shear fracture toughness measured by the end-notched flexure test was greater than 1 kJ/m2 (nearly 140% of the co-cured benchmark property), which is greatly in excess of the project goals for mechanical properties. Testing was planned to measure interlaminar tensile fracture toughness as well as interlaminar tensile and shear strengths using the same AERoBOND configuration, but was delayed due to closure of LaRC facilities during the COVID-19 pandemic. The AERoBOND process model is partially validated and available for experimental use. It allows the user to input AERoBOND process parameters such as material composition, laminate configuration, and cure cycle to predict the final cure state of the AERoBOND joint. A preliminary, multi-scale material model was developed to predict AERoBOND joint mechanical properties (stiffness and strength) based on the cure state of the joint provided by the process model. The timing for transition of this technology within NASA is excellent as NASA initiates new enduring projects to address composites manufacturing rate challenges. AERoBOND technology is well suited to AAVP/AATT objectives for rapid manufacturing of a composite wing. A minimal effort (1 FTE/$15k procurement/0 WYE) is proposed in FY21 to continue a minor mechanical testing effort and maintain a SAA with ASX composites to develop commercial quality prepreg material. An RFI with the composites industry is suggested to quantify the technology gap between the current TRL and the TRL needed for transition to industry. A moderate effort [3-4 FTE/$150k/1 WYE (~$115k)] is proposed in FY22 for the “high rate composites manufacturing” project currently in planning. The partnership with ASX Composites will be expanded to produce material for sub-element/element-scale “panel-off” activities. Industry partnerships with airframe manufacturers is an expected component to explore damage tolerance and environmental stability. Further development of multi-scale modeling tools (process model, meso-scale model, and molecular model) is planned to enhance and deliver tools for rapid manufacturing infusion.

Frank Louis Palmieri↗

OSAM Autonomy

Workshop Description: NASA hosts an annual technology transfer workshop to facilitate the transfer of OSAM technologies to U.S. industry. Due to precautions surrounding COVID-19, the fifth OSAM Technology Transfer Workshop will be held virtually on September 22-23. Workshop attendees will enjoy access to an updated technology catalog, information about the latest developments from NASA subject matter experts, and a tour of NASA facilities.

OSAM↗

Electromagnetic Pain Relief/Blocking: Feasibility Assessment

Context/Background: Astronauts use pharmaceuticals during spaceflight to manage acute and chronic pain, but use of analgesics will have drawbacks for exploration-class missions because the shelf life of these medications is limited, resupply will be curtailed, astronauts may develop tolerance and/or addiction to these medications, and side effects can include impairment of cognitive abilities. Electromagnetic devices have been developed that treat pain terrestrially by affecting neuromodulation–dubbed “electroceuticals”, these devices have varied mechanisms of action that either stimulate or suppress neural activity in the central nervous system or peripheral nerves. Objective/Purpose: The available literature was reviewed and FDA-approved pain treatments (both pharmacological and non-pharmacological), as well as those currently under development, were assessed for their suitability for use in exploration class spaceflight missions. Data Sources: Due to the COVID-19 pandemic and the resulting closure of libraries, data sources were restricted to those available digitally. Online database searches included PubMed, U.S. Patent and Trademark Office, federal grant award databases (National Aeronautics and Space Administration (NASA), Department of Defense (DoD), National Institutes of Health (NIH)), and general internet searches. More than 1,600 records were reviewed in this effort. Study Selection/Eligibility Criteria: Targeted searches included different aspects of pain management. Priority was given to review studies, to cover as much of the available literature as possible in this limited effort. Study Appraisal and Synthesis Methods/Data Extraction and Data Synthesis: The titles of the studies and the awards that were obtained by searching online databases were reviewed and further information was sought for the relevant titles. Abstracts or award summaries were generally available online; for journal abstracts, full text articles were either available online or were requested via interlibrary loan. Results: An overwhelming majority of the literature focuses on the treatment of chronic rather than acute pain because it is assumed that acute pain only rarely fails to resolve and instead transitions into chronic pain when the central nervous system becomes hypersensitized. The available electromagnetic devices marketed for pain treatment have varying levels of invasiveness, use different mechanisms of action, and have demonstrated varying efficacy when evaluated scientifically. A truly noninvasive, highly efficient device is desired for use during spaceflight. One portable, self-contained, FDA-approved device was identified that, from preliminarily assessment, best met these criteria; the device noninvasively applies pulsed shortwave therapy (PSWT) to modify pain signals from peripheral nerves, however, the device has limited battery life and the effects are relatively non-selective in type of neural signal modified. Limitations: This current effort, although extensive, did not identify a comprehensive list of all alternatives for pain treatment. Once the pandemic limitations are lifted, a longer, more thorough effort may find additional options. Conclusions/Implications: The ideal electromagnetic pain treatment device for use on exploration-class spaceflight missions does not yet exist, but it may be available soon. It is not feasible for NASA to develop medical devices due to the schedule constraints for pending exploration-class missions, but adapting a promising device that is already FDA-approved might be an option. Monitoring research that is ongoing at other federal agencies is recommended, and further review of the candidate PSWT device identified in this current effort may be warranted.

Carol Mullenax↗

Legume Organoleptic and Nutritional Analysis

Long-duration missions beyond low Earth orbit will encounter challenges in maintaining adequate nutrition and acceptability in the food system. In situ production of fresh produce can supplement nutrients deficient in the stored diet. Currently there is a limited number of crops that can be reliably grown for space crop production. Recent challenges with Veggie plant growth technical demonstrations (i.e. Tokyo Bekana Chinese cabbage interveinal chlorosis and necrosis when grown under elevated CO2 (~3000ppm) and narrow-band LED lighting) have highlighted the necessity to conduct rigorous ISS-relevant crop screening on the ground. Additionally, crops must be selected to address specific nutritional deficits as identified by HRP, with an emphasis on having a large diversity of crops available to meet nutritional requirements and crew acceptability. A variety of crop types are necessary to address known nutritional deficits in the stored astronaut diet, to include leafy greens (vitamin C, vitamin K, potassium), tomatoes and peppers (vitamin C, potassium, lycopene), and legumes (vitamin B1).Legumes are being evaluated for biological performance and suitability under ISS-like environmental conditions as well as nutritional content and acceptability. Legumes are one of the few pick and eat crop types that is an excellent source of Vitamin B1.In FY21-22 Biological and Physical Sciences (BPS) is funding screening of 32 legume crop cultivars at KSC, 16 of which will be down-selected based on horticultural performance and informal taste testing for further horticultural assessment and analysis. HRP in FY21-22 is funding organoleptic and nutritional analysis of these 16 down-selected legume cultivars to determine the most promising candidates for future space applications. Nutritional analysis will include full elemental, proximate (fat, protein, calories, carbohydrates, ash), and vitamins B1, C, K. This new work is currently postponed due to Covid-19.

L E Spencer↗

Microgreens Food Safety Evaluation

Microgreens have been recently identified as a new type of pick and eat salad crop that can be utilized in space crop production systems. The majority of traditionally grown leafy green crops can be grown as microgreens, in addition to crops such as legumes (e.g. pea shoots), sunflower, buckwheat, most herbs, and corn, presenting hundreds of microgreen crop options. With a wide variety of flavors, exceptional nutritional density, short growth cycles (7-14 days), and unmatched volume optimization potential, microgreens present as an interesting option for sustainable production of nutritious and flavorful crops in space. The food safety aspects of microgreens have been investigated by USDA in recent years, however, an assessment for crew consumption purposes has not yet been conducted to capture the variety of microgreen cultivar types grown in spaceflight relevant environmental conditions and hardware that could be a part of the astronaut diet. Seed sanitation methods will be developed for each microgreen cultivar to sanitize the seed coat and ensure viable germination and plant growth. Food safety analysis will be performed on 24 different fast-growing cultivars of microgreens by performing aerobic plate counts (APC), fungal counts, and select pathogen screening of edible plant tissue before and after treatment with ProSan sanitizing produce wash. Additional avenues of investigation into microgreens food safety will be undertaken to understand impacts of plant height at time of harvest (able to be manipulated by light spectrum), seed density at time of planting, and role of blue light in food safety metrics of microgreens (n=6-12 microgreen cultivars tested, depending on variable). These findings will be included in the Space Crop Production Hazard Analysis Critical Control Point (HACCP) plan. This new work is currently postponed due to Covid-19.

M E Hummerick↗

GEOS-Carb III: Delivering a Mature, Physically Consistent Set of Flux and Concentration Products o in Support of Carbon Monitoring

This iposter presents work completed under the CMS supported GEOS-Carb project, which seeks to provide an advanced and physically consistent set of carbon flux and concentration data products in support of carbon monitoring. We focus here on reviewing the overall goals and project structure and highlighting recent work on COVID-19 impacts.

Carbon↗

Urban Air Mobility: Predictive Modelling on the Behavior of Air-Service Bookings in Metropolitan Areas

The demand for a ride to work without running into the inefficiencies of traffic in a bustling, metropolitan area beckons for a system to tackle on-the ground traffic congestion, thus fueling the need for Urban Air Mobility (UAM). The instant gratification culture, notably its effect on Generation Z, has given way to the nature of impulsive decision making. The 2020 COVID-19 crisis, with its use of tap-to-gratify technology, highlights passengers preferring late booking. This last-minute airport reorganization crisis spearheaded our research goal to create a more user-personalized assessment of cancellation rates. Our research highlights that there will be a market in the 2030s for UAM, short-distance air transportation, and the world must prepare for the challenges that come with this new market. Through a two-part model, we obtained two randomized sets of profiles of user-specific and ridership attributes and their relationship with cancellations. Recommendations for future research include factoring this personalized aspect into cancellation projections to provide reasoned user discounts as well as a remedy for the scheduling chaos that stems from the airport organizational crisis.

Srushti Adesara↗

Algorithmic Analysis of the Effect of Human Behavior on Future Urban Air Mobility Operations

The demand for a ride to work without running into the inefficiencies of traffic in a bustling, metropolitan area beckons for a system to tackle on-the ground traffic congestion, thus fueling the need for Urban Air Mobility (UAM). The instant gratification culture, notably its effect on Generation Z, has given way to the nature of impulsive decision making. The 2020 COVID-19 crisis, with its use of tap-to-gratify technology, highlights passengers preferring late booking. This last-minute airport reorganization crisis spearheaded our research goal to create a more user-personalized assessment of cancellation rates. Our research highlights that there will be a market in the 2030s for UAM, short-distance air transportation, and the world must prepare for the challenges that come with this new market. Through a two-part model, we obtained two randomized sets of profiles of user-specific and ridership attributes and their relationship with cancellations. Recommendations for future research include factoring this personalized aspect into cancellation projections to provide reasoned user discounts as well as a remedy for the scheduling chaos that stems from the airport organizational crisis.

Harbani Jaggi↗

m:N ConOps/R&R Remote Simulation

This presentation details the experimental design of an investigation of small unmanned aircraft system (sUAS) operations involving multiple vehicle management by a remote operator. The study is part of an ongoing effort to explore multiple vehicle control by multiple operators, i.e., the control of N vehicles by m operators (m:N operations). For this effort, NASA and collaborators have developed prototypes of a concept of operations (ConOps), roles and responsibilities (R&R) for operators and supervisors, and a ground control station (GCS), including software displays and interfaces. Participants in this study acted as the pilot-in-command of twelve aircraft flying pre-approved routes in a simulation of a food delivery operation utilizing sUAS in the San Diego, CA area. Each participant experienced four experimental trials. Twice within the course of each trial, participants were responsible for responding to a sudden, unanticipated, and high-priority contingency: an airspace restriction for sUAS operations known as a UAS Volume Reservation (UVR). Upon issuance of a UVR, pilots were expected to reroute affected vehicles around the airspace. The level of automation (LoA) and workload of the flight rerouting task were varied. The LoA was manipulated by providing reroute suggestions ("auto" condition) for aircraft or by requiring pilots to manually reroute ("manual" condition) affected vehicles. Workload was varied as a function of the number of vehicles affected by the UVR contingencies: 2 vehicles ("low workload" condition) versus 4 vehicles ("high workload" condition). Additionally, some vehicles required pilots to adjust for terrain conflicts while avoiding the UVR region. Due to the COVID-19 pandemic, in-person data collection for this study was not possible. Researchers adapted to this circumstance through the development of remote data collection protocol. Participants were able to view adapted GCS displays using the Microsoft Teams teleconferencing platform and responded to events by using a verbal protocol developed for the experiment. Using this protocol, participants provided instructions for actions to a researcher, referred to as the surrogate, to carry out on their behalf. This presentation describes the experiment design, including special details for remote data collection via a subject-surrogate configuration, and concludes with planned data analysis and results to be presented at a later date.

multi-UAS↗

Multi-Physics Based Thermo-Well Fatigue Design Tool

In this study, mathematical-based models for fatigue life were developed for Resistance Temperature Detectors (RTDs)/thermo-wells in high-pressure, cryogenic flow environments. A literature review that identified bench-scale stainless steel fatigue data at cryogenic temperatures that can be used to validate fatigue life mathematical models was pursued. Developing the ability to predict the fatigue life of RTDs/thermo-wells in high-pressure, cryogenic flow environments, especially liquid oxygen (LOX), will lead to a lower incidence of RTD damage and failure during propulsion test activities. During this performance period, the project was transitioned to a computational RTD/thermos-well fatigue modeling effort rather than the previously proposed experimental fatigue testing in FY19 since the computational modeling approach will provide a better fundamental understanding of fatigue behavior at cryogenic temperatures prior to pursuing potentially costly experimental tests. Due to COVID-19 issues impairing access to some needed university partnerships, tools and lab facilities, FY20efforts are continuing into FY21 and will be reported upon in greater detail in the FY21 report

Harry Ryan↗

Tonlé Sap Food Security and Agriculture II: Evaluating Changes in Ecosystem Vitality and Freshwater Healthin the Tonlé Sap Basin using Remotely Sensed Data

The Tonlé Sap Lake and river basin in central Cambodia provide critical ecosystem services to the region, including fisheries, agricultural irrigation, hydropower, and biodiverse habitats. Deforestation, increased pumping for farming, and effects of climate change such as droughts and forest fires threaten the health of the lake and food security in the region. This project built upon the previous term through a partnership with Conservation International (CI), the Cambodian Ministry of Water Resources and Meteorology, and the Tonlé Sap Authority to assess ecosystem vitality and implement CI’s Freshwater Health Index (FHI) tool, in an effort to prioritize resource expenditure and highlight areas of concern. Due to the COVID-19 pandemic and related travel restrictions, partners had not been able to readily collect in situ data for the past year, which make up the majority of FHI inputs. To help fill this data gap, we developed a methodology for using Gravity Recovery and Climate Experiment (GRACE) satellite data to calculate groundwater storage depletion, and a Python Application Programming Interface for processing and formatting remotely-sensed data for the Soil and Water Assessment Tool (SWAT) model. We then used SWAT to model nutrient flows and of phosphorous, nitrogen and suspended sediments amounts in the basin from October 2000 to December 2020. These outputs served as inputs for the FHI and provided policy makers with robust monitoring information to aid decision-making in the area and safeguard the lake’s vital fisheries and biodiversity.

Justine Spore↗

Resilient Autonomy in the Face of Adversity

The NASA Resilient Autonomy Project developed a software framework that implemented a Run Time Assurance (RTA) architecture that leveraged ASTM International’s F3269 Industry Standard for safely bounding complex behavior in aircraft. This framework was called the Expandable Variable Autonomy Architecture, or EVAA. EVAA was developed during the height of the Covid-19 lockdown that caused the Resilient Autonomy team to pivot from flight test to distributed simulator testing. EVAA was developed to be platform and mission agnostic where platform specifics were behind a hardware abstraction layer that EVAA called a Coupler. EVAA was able to host multiple safety monitors that could resolve individual safety hazards. EVAA was able to resolve priority conflicts when multiple safety hazards needed to be resolved simultaneously and was able to resolve highly complex situations in a safe manner that could exceed human capabilities.

Ethan Williams↗

Identification and Exploration of a Series of SARS-Cov-2 M Pro Cyano-Based Inhibitors Revealing Ortho-Substitution Effects within the P3 Biphenyl Group

Starting from a simple scaffold hopping exercise based on our previous exploration of cysteine protease inhibitors against legumain, compound 6a was identified as a starting point for the development of a SARS-CoV-2 main protease (M Pro ) inhibitor. Compound 6a displayed submicromolar biochemical potency in the ultrasensitive assay developed by Drag and coworkers. Through an iterative structure−activity relationship campaign, we discovered an unexpected improvement in both biochemical and cellular potency through the incorporation of an ortho substituent within the P3 benzamide. X-ray crystallography revealed that incorporation of the ortho substituent caused a subtle but important binding enhancement of the P1 glutamate group within the M Pro S1 pocket. While incorporation of the ortho substituent improved the potency, the off-target selectivity against a panel of cysteine proteases and cell activity remained suboptimal. Further scanning of the P2 core revealed that incorporation of the 3.1.0 proline could address these issues and afford compound 22e, a highly potent and cellularly active M Pro inhibitor.

COVID-19 infection↗

Tracking 2020 Decreases in Carbon Dioxide Due to the COVID19 Pandemic in NASA’s GEOS Modeling system: Implications for Space-Based Carbon Monitoring

The COVID19 pandemic led to abrupt, worldwide changes in human activity and related emissions of air pollutants and greenhouse gases that are unprecedented in modern times. NASA satellites have demonstrated their ability to observe some of these impacts, particularly in relation to short-lived gases like nitrogen dioxide (NO2), which is emitted primarily from transportation. Bottom-up analyses of carbon dioxide (CO2) emissions suggest that the growth of atmospheric CO2 has also slowed, but differences are much more subtle than for NO2 because of the lifetime of atmospheric CO2 and sectoral differences in emission reductions. Estimates of CO2 from NASA’s Orbiting Carbon Observatory 2 (OCO-2) provide a unique view of COVID19 impacts, but observed changes in the column-average CO2 can be difficult to interpret because of gaps in spatial coverage. Assimilating these data into the Goddard Earth Observing System (GEOS), an integrated Earth system model with an advanced Constituent Data Assimilation System (CoDAS), helped to reveal changes in CO2 that are consistent with separate, bottom-up analyses of emissions reductions. Both indicate that from February-April of 2020, the growth in CO2 over Europe, North America, and Asia was roughly 0.3 ppm less than during the previous four years. Anomalies derived from gap-filled GEOS OCO-2 CoDAS products contribute to a joint effort by the world’s space agencies to track COVID19 impacts on the Earth. However, attribution of these changes is complicated by interannual variability in atmospheric circulation and the influence of climate on ocean and land carbon sinks. We discuss these results from the perspective of space-based carbon monitoring, which has received considerable support over the past decade from NASA. Our results demonstrate the accomplishments of current sensors and data assimilation systems, but also highlight challenges in providing high quality, low latency information to the public. In particular, understanding and attributing CO2 changes during 2020 requires year-specific information about land and ocean fluxes, which is often delayed for months or even years. We discuss current limitations and potential solutions to address these lags, which would support more reliable and timely space-based carbon monitoring.

COVID-19↗