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ManganesehasbeenobservedonMarsbytheNASACuriosityroverinavarietyofcontextsand isanimportantindicatorofredoxprocessesinhydrologicsystemsonEarth.WithintheMurrayformation,an ancientprimarilyfine‐grainedlacustrinesedimentarydeposit inGalecrater,Mars,haveobservedupto45× enrichmentinmanganeseandupto1.5×enrichmentinironwithincoarsergrainedbedrocktargetscomparedto themeanMurraysedimentcomposition.Thisenrichment inmanganesecoincideswiththetransitionbetween twostratigraphicunitswithintheMurray:SuttonIsland, interpretedasalakemarginenvironment,andBlunts Point,interpretedasalakeenvironment.OnEarth,lacustrineenvironmentsarecommonlocationsofmanganese precipitationduetohighlyoxidizingconditionsinthelakes.Here,weexplorethreemechanismsfor ferromanganeseoxideprecipitationatthislocation:authigenicprecipitationfromlakewateralongalakeshore, authigenicprecipitationfromreducedgroundwaterdischargingthroughporoussandsalongalakeshore,and earlydiageneticprecipitationfromgroundwaterthroughporoussands.All threescenariosrequirehighly oxidizingconditionsandwediscussoxidantsthatmayberesponsiblefortheoxidationandprecipitationof manganeseoxides.Thisworkhasimportant implicationsforthehabitabilityofMarstomicrobesthatcould haveusedMnredoxreactions,owingtoitsmultipleredoxstates,asanenergysourceformetabolism.

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In recent years, the growth of scientific data and the increasing need for data sharing and collaboration in the field of environmental chemistry has led to the creation of various software and databases that facilitate research and development into the safety and toxicity of chemicals. The US-EPA Center for Computational Toxicology and Exposure has been developing software and databases that serve the chemistry community for many years. This presentation will focus on several web-based software applications which have been developed at the USEPA and made available to the community. While the primary software application from the Center is the CompTox Chemicals Dashboard almost a dozen proof-of-concept applications have been built serving various capabilities. The publicly accessible Cheminformatics Modules (https://www.epa.gov/chemicalresearch/cheminformatics) provides access to six individual modules to allow for hazard comparison for sets of chemicals, structure-substructure-similarity searching, structure alerts and batch QSAR prediction of both physicochemical and toxicity endpoints. A number of other applications in development include a chemical transformations database (ChET) and a database of analytical methods and open mass spectral data (AMOS). Each of these depends on the underlying DSSTox chemicals database, a rich source of chemistry data for over 1.2 million chemical substances. I will provide an overview of all tools in development and the integrated nature of the applications based on the underlying chemistry data. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.

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COVID-19 had an unprecedented impact on scientific collaboration. The pandemic and its broad response from the scientific community has forged new relationships among public health practitioners, mathematical modelers, and scientific computing specialists, while revealing critical gaps in exploiting advanced computing systems to support urgent decision making. Informed by our team’s work in applying high-performance computing in support of public health decision makers during the COVID-19 pandemic, we present how Globus technologies are enabling the development of an open science platform for robust epidemic analysis, with the goal of collaborative, secure, distributed, on-demand, and fast time-to-solution analyses to support public health.

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The thermal continuum emission observed from accreting black holes across X-ray bands has the potential to be leveraged as a powerful probe of the mass and spin of the central black hole. The vast majority of existing ‘continuum fitting’ models neglect emission sourced at and within the innermost stable circular orbit (ISCO) of the black hole. Numerical simulations, however, find non-zero emission sourced from these regions. In this work, we extend existing techniques by including the emission sourced from within the plunging region, utilizing new analytical models that reproduce the properties of numerical accretion simulations. We show that in general the neglected intra-ISCO emission produces a hot-and-small quasi-blackbody component, but can also produce a weak power-law tail for more extreme parameter regions. A similar hot-and-small blackbody component has been added in by hand in an ad hoc manner to previous analyses of X-ray binary spectra. We show that the X-ray spectrum of MAXI J1820+070 in a soft-state outburst is extremely well described by a full Kerr black hole disc, while conventional models that neglect intra-ISCO emission are unable to reproduce the data. We believe this represents the first robust detection of intra-ISCO emission in the literature, and allows additional constraints to be placed on the MAXI J1820 + 070 black hole spin which must be low a• < 0.5 to allow a detectable intra-ISCO region. Emission from within the ISCO is the dominant emission component in the MAXI J1820 + 070 spectrum between 6 and 10 keV, highlighting the necessity of including this region. Our continuum fitting model is made publicly available.

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Mars is a particularly attractive candidate among known astronomical objects to potentially host life. Results from space exploration missions have provided insights into Martian geochemistry that indicate oxychlorine species, particularly perchlorate, are ubiquitous features of the Martian geochemical landscape. Perchlorate presents potential obstacles for known forms of life due to its toxicity. However, it can also provide potential benefits, such as producing brines by deliquescence, like those thought to exist on present-day Mars. Here we show perchlorate brines support folding and catalysis of functional RNAs, while inactivating representative protein enzymes. Additionally, we show perchlorate and other oxychlorine species enable ribozyme functions, including homeostasis-like regulatory behavior and ribozyme-catalyzed chlorination of organic molecules. We suggest nucleic acids are uniquely wellsuited to hypersaline Martian environments. Furthermore, Martian near- or subsurface oxychlorine brines, and brines found in potential lifeforms, could provide a unique niche for biomolecular evolution.

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