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INCREASING THE TRANSPARENCY AND REPRODUCIBILITY OF SPACE RADIATION SCIENCE: THE RADIATION BIOLOGY ONTOLOGY

Among the primary objectives of the Open/Open-Source Science paradigm are making scientific investigation data transparent and results reproducible [1], objectives shared by the FAIR principles [2]. To accomplish this, the conceptual framework that includes all the investigation objects needs to be accurately captured and communicated to all data consumers. A large part of this requires using metadata standards to annotate data collected. These standards should be readily accessible, informed by scientific community consensus and sufficiently specific to encompass all of the important aspects of the investigation. Starting in 2020 we have been co-leading an open consortium to develop a new metadata standard, the Radiation Biology Ontology (RBO), through the Open Biological and Biomedical Ontologies (OBO) Foundry [3]. We began by transforming many of the terms from the National Council on Radiation Protection and Measurement into concepts that can be formally related to existing OBO Foundry classes or attributes. We then identified and imported into the RBO existing OBO Foundry classes that have obvious relevance for radiation biomedicine (for example, concepts from the Environment Ontology that describe radiative processes, and concepts from the Gene Ontology dealing with molecular and cellular responses to radiation). Finally, we scrutinized datasets from investigations of radiation effects held in NASA GeneLab and LSDA repositories and added additional classes, instances, and attributes into the RBO that should be used to annotate these data. We developed the RBO using the open-source tools of GitHub and publish the RBO periodically through the NIH/NCBI BioPortal website, so systems worldwide can leverage the knowledge it contains [4]. This initial phase of concept modeling has yielded an RBO that at present has more than 300 declared concepts, with more than 3500 additional concepts imported from other OBO Foundry ontologies. While this first phase has focused on concepts for annotating samples, environments, exposures, and measurements, the next phase will center on supporting annotation of results and findings, such as concept models of molecular, cellular and tissue effects. The value of the RBO will be determined in part by our ability to engage the community in its development, and we have established a Radiobiology Informatics Consortium with unrestricted membership as the owner of the RBO in order to encourage investigators, system owners and other to join in this effort. Anyone can report issues or request new concept modeling or other features directly on GitHub. By using the BioPortal application programming interface, systems can pose dynamic queries to the latest version of the RBO for information on individual classes or entire hierarchies; this design eliminates the need for systems to be updated in order to use newer versions of the RBO. We hope to contribute to the advancement of open radiobiological science through the continued, open development of the RBO, that will provide more precise, machine-interpretable descriptions of investigations, as well as support data meta-analysis through machine learning or other artificial intelligence methods.

knowledge↗

Forest Potential Productivity Mapping by Linking Remote-Sensing-Derived Metrics to Site Variables

A fine-resolution region-wide map of forest site productivity is an essential need for effective large-scale forestry planning and management. In this study, we incorporated Sentinel-2 satellite data into an increment-based measure of forest productivity (biomass growth index (BGI)) derived from climate, lithology, soils, and topographic metrics to map improved BGI (iBGI) in parts of North American Acadian regions. Initially, several Sentinel-2 variables including nine single spectral bands and 12 spectral vegetation indices (SVIs) were used in combination with forest management variables to predict tree volume/ha and height using Random Forest. The results showed a 10–12 % increase in out of bag (OOB) r2when Sentinel-2 variables were included in the prediction of both volume and height together with BGI. Later, selected Sentinel-2 variables were used for biomass growth prediction in Maine, USA and New Brunswick, Canada using data from 7738 provincial permanent sample plots. The Sentinel-2 red-edge position (S2REP) index was identified as the most important variable over others to have known influence on site productivity. While a slight improvement in the iBGI accuracy occurred compared to the base BGI model (~2%), substantial changes to coefficients of other variables were evident and some site variables became less important when S2REP was included.

site productivity↗

Bulk Oxygen Isotope Composition of Aggregate Samples From Asteroid Bennu Returned By OSIRIS-REx

On 24 September 2023, the OSIRIS-REx spacecraft delivered to Earth material collected from the surface of the B-type asteroid Bennu. During its ~2.5-year encounter with the asteroid, OSIRIS-REx made many important discoveries, including establishing its extremely primitive chemical composition, the presence of at least two lithologies, and evidence of fluid flow on its parent asteroid. One of the driving hypotheses of the Sample Analysis Plan is that Bennu’s dominant lithologies are comparable to the most aqueously altered carbonaceous chondrites. Oxygen three-isotope analysis is a powerful tool for defining the relationship between different meteorite groups and can be used to understand the nature of the returned Bennu samples. The O isotope signatures reflect the materials that parent asteroids accreted from and the geological processes that operated during asteroidal evolution. Aggregate samples of particles (typically <500 μm) likely sampled many different larger stones and boulders, and their composition may therefore represent the average composition of Bennu. Fractionation of the sample, e.g. comparison of aliquots of finer material with coarser particles within the aggregate samples, offers the opportunity to identify different isotopic reservoirs within the returned material. The average O isotope composition will also provide a baseline from which to identify and characterize any exogenous clasts present in the sample.

I. A. Franchi↗

Endogenous Lunar Volatiles

The chapter will begin with an introduction that defines magmatic volatiles (e.g., H, F, Cl, S) versus geochemical volatiles (e.g., K, Rb, Zn). We will discuss our approach of understanding both types of volatiles in lunar samples and lay the ground work for how we will determine the overall volatile budget of the Moon. We will then discuss the importance of endogenous volatiles in shaping the "Newer Views of the Moon", specifically how endogenous volatiles feed forward into processes such as the origin of the Moon, magmatic differentiation, volcanism, and secondary processes during surface and crustal interactions. After the introduction, we will include a re-view/synthesis on the current state of 1) apatite compositions (volatile abundances and isotopic compositions); 2) nominally anhydrous mineral phases (moderately to highly volatile); 3) volatile (moderately to highly volatile) abundances in and isotopic compositions of lunar pyroclastic glass beads; 4) volatile (moderately to highly volatile) abundances in and isotopic compositions of lunar basalts; 5) volatile (moderately to highly volatile) abundances in and isotopic compositions of melt inclusions; and finally 6) experimental constraints on mineral-melt partitioning of moderately to highly volatile elements under lunar conditions. We anticipate that each section will summarize results since 2007 and focus on new results published since the 2015 Am Min review paper on lunar volatiles [9]. The next section will discuss how to use sample abundances of volatiles to understand the source region and potential caveats in estimating source abundances of volatiles. The following section will include our best estimates of volatile abundances and isotopic compositions (where permitted by available data) for each volatile element of interest in a number of important lunar reservoirs, including the crust, mantle, KREEP, and bulk Moon. The final section of the chapter will focus upon future work, outstanding questions, and any in-sights on the types of samples or experimental studies that will be needed to answer these questions.

McCubbin, F. M.↗

Properties of Subsurface Soil Cores from Four Geologic Provinces Surrounding Mars Desert Research Station, Utah: Characterizing Analog Martian Soil in a Human Exploration Scenario

The DOMEX program is a NASA-MMAMA funded project featuring simulations of human crews on Mars focused on science activities that involve collecting samples from the subsurface using both manual and robotic equipment methods and analyzing them in the field and post mission. A crew simulating a human mission to Mars performed activities focused on subsurface science for 2 weeks in November 2009 at Mars Desert Research Station near Hanksville, Utah --an important chemical and morphological Mars analog site. Activities performed included 1) survey of the area to identify geologic provinces, 2) obtaining soil and rock samples from each province and characterizing their mineralogy, chemistry, and biology; 3) site selection and reconnaissance for a future drilling mission; 4) deployment and testing of Mars Underground Mole, a percussive robotic soil sampling device; and 5) recording and analyzing how crew time was used to accomplish these tasks. This paper summarizes results from analysis of soil cores

Stoker, C. R.↗

Direct SERDS sensing of molecular biomarkers in plants under field conditions

Molecular biomarkers such as microRNAs (miRNAs) play important roles in regulating various developmental processes in plants. Understanding these pathways will help bioengineer designing organisms for efficient biomass accumulation. Current methods for RNA analysis require sample extraction and multi-step sample analysis, hindering work in field studies. Recent work in the incorporation of nanomaterials for plant bioengineering research is leading the way of an agri-tech revolution. As an example, surface-enhanced Raman scattering (SERS)–based sensors can be used to monitor RNA in vivo. However, the use of SERS in the field has been limited due to issues with observing Raman signal over complex background. To this end, shifted-excitation Raman difference spectroscopy (SERDS) offers an effective solution to extract the SERS signal from high background based on a physical approach. In this manuscript, we report the first application of SERDS on SERS sensors. We investigated this technique on SERS sensor developed for the detection of a microRNA biomarker, miR858. We tested the technique on in vitro samples and validated the technique by detecting the presence of exogenous miR858 in plants directly under ambient light in a growth chamber. The possibility of moving the detection of nucleic acid targets outside the constraints of laboratory setting enables numerous important bioengineering applications. Finally, such applications can revolutionize biofuel production and agri-tech through the use of nanotechnology-based monitoring of plant growth, plant health, and exposure to pollution and pathogens.

09 BIOMASS FUELS↗

EVA Swab Kit: Tools and Techniques for Collecting Aseptic Samples from Crewed Space Missions

Introduction: When we send humans to search for life on other planets, we'll need to know what we brought with us versus what may already be there. To ensure our crewed spacecraft meet planetary protection requirements—and to protect our science from human contamination—we'll need to assess and verify whether micro-organisms may be leaking/venting from our spacesuits. This requires collecting samples under Extravehicular Activity (EVA) conditions. Detailed, systematic research on forward contamination from robotic spacecraft has been steadily progressing since the Viking missions, but systematic studies of contamination from space suits has not been conducted in many years. The modern EMU (Extravehicular Mobility Unit) suit used by NASA is designed to leak at rates as high as 100 cc/min. Before humans land on Mars there is a critical need to understand the types and quantities of microbes that could be introduced via space suits. The Human Forward Contamination Assessment team at NASA’s Johnson Space Center (JSC) has developed a prototype EVA swab tool [1,2,3,4] designed for use in space to sample cleaned and uncleaned space suits to determine the present day microbial load and eventually the rate of leakage. The ability to assess microbial leakage early in advanced space suit and life support system design cycles will help avoid costly hardware redesign later. Test Objectives: The primary objective of EMU testing was to characterize the type of micro-organisms typically found on or near selected suit pressure joints under suit differential pressure conditions. Most human-borne microbes can fit through a 0.5 to 1.0 µm gap. Knowing which joints are more likely to leak will inform hardware design decisions. Knowing which types of micro-organisms may leak from EVA suits provides a basis for subsequent studies to characterize the viability of those organisms under destination conditions, as well as how far they might spread through natural or human-influenced processes. That data, in turn, will inform exploration mission operations and hardware design. The secondary objective of testing was to evaluate the interface between a fully suited test subject and the EVA swab tool at vacuum. Bulky EVA suits can restrict movement and limit visibility through the helmet visor. Fully suited testing is important for identifying tool design issues prior to flight. At exploration destinations, such as Mars, suited crew may be required to periodically sample their suits as part of an environmental monitoring protocol. Suit Microbial Sampling Results: This report details results of microbial swabs collected from current flight suit configurations worn by crew members assigned to upcoming ISS expedition missions as well as swabs collected from prototype suits intended for use on the Orion spacecraft. These tests were intended to characterize the types of contaminants found on flight suits under current, typical handling conditions. No attempt was made to change suit handling procedures, provide additional sterilization, or to limit typical potential contaminant sources. Using culture based techniques, we cultivated 235 CFU (colony forming units) comprised of 26 bacterial species and one fungal species on the outside of the suits. The fungal species and 14 of the bacterial species were unique to the suit surfaces and were not detected in any of the background samples collected within the chambers. We sequenced 755,434 ribosomal fragments on all of the suit surfaces from swab samples. 557,016 of these sequences represent DNA that survived at least 4 hours at vacuum. These sequences formed 2,464 OTU's (Operational Taxonomic Units, 97% similarity) showing low diversity in the samples. The most abundant sequences that survived vacuum belong to the genera Staphyloccocus, Ralstona, Bacillus and Rhodobacter all of which are common to the human microbiome. [5] See Danko et al., (2021) for more complete details of these first analyses. Further analysis of EVA suit materials with respect to the efficacy of various cleaning protocols and engineered containment solutions is planned to inform suit design for NASA’s Artemis Moon to Mars program crew testing. Swab Tool Function Results: The kit was demonstrated for fit and function in suited subject vacuum tests to determine how well the tool worked as an aseptic microbial sampling device as well as to identify any design elements that could be upgraded for EVA task specific improvement. It was found that sample acquisition efficacy could be enhanced by redesign of the sample canister to end-effector interface. Several modifications of the sample caddy assemblies to optimize EVA safety and functionality were also identified. Consequently, fabrication of the redesigned sample canister to end-effector assembly interfaces and and the sample caddy assemblies are required. Fabrication of sixteen flight sample canister assemblies (8 per each of two EVA Swab Kits) and two sample caddy assemblies are in process to be followed by hardware testing and certification to produce two flight-certified EVA Swab Kits for transport to ISS no earlier than summer of 2022. Sampling Strategy: The International Space Station is an ideal testbed for systematic studies of contamination from crewed vehicles since it has been continuously occupied for 20 years and exposed to non-terrestrial conditions. We will sample the exterior of the ISS during EVA using a purpose-built swab tool capable of maintaining sterility while undergoing temperature changes from -151 to +121°C under hard vacuum. Prior to each EVA, the project team will work with ISS mission managers to identify precise sampling locations, which will vary by EVA based on the translation paths and worksites scheduled for that particular EVA. Ideally, translation path handrails and areas near ECLSS (Environmental Control and Life Support System) external vent openings on a spacecraft would be assessed. There are currently more than a dozen ECLSS external vents on the ISS. Some are connected to systems that vent waste products, while others are intended to equalize cabin pressure. As EVA opportunity allows, microbial samples from any of these external vents would provide a valuable data point, though some will be more useful than others. Four criteria have been identified to help prioritize sampling sites near vents: • EVA Accessibility: To minimize cost, it is desired to piggy-back onto a planned EVA. Therefore, the sampling location must be readily accessible by an EVA crew • Type of Vented Products: Vent products that have been in direct contact with crew, such as cabin air, are more likely to contain microorganisms than vent products associated with isolated systems, such as experiment module combustion products. • Mass of Vented Products: Higher-flow vents are more likely to contain detectible levels of microbial contaminants than lower-flow vents. • Local Environment: Sample locations with relatively benign local conditions, such as warm surfaces shielded from direct ultraviolet (UV) radiation exposure, may be more likely to support microbial growth than locations with harsher local environmental conditions. Because EVA accessibility is the most important criteria, the proposal team worked with an astronaut and flight controllers using the Dynamic Onboard Ubiquitous Graphics (DOUG) tool. The DOUG virtual environment allows an operator to “fly” around the current ISS vehicle configuration to assess EVA translation paths, attach points, and keep-out zones. While analysis on station or rapid return to Earth would be preferable, samples collected from the exterior of the ISS have already been exposed to temperature variations between -157 and +121 °C as well as hard vacuum. Therefore, they should be fairly stable and robust. We hypothesize that samples collected from the ISS exterior could be stored for up to 6 months at -80°C without degradation. Sample canisters will be returned to Earth while frozen at -80°C for analysis, and sterilized canisters can be re-flown back to ISS to support additional sampling opportunities Relevance to NASA Exploration Objectives: These data will allow us to identify new or improved methods, technologies, and procedures for spacecraft sterilization and leakage mitigation to minimize the amount of contamination introduced to the environment by human explorers. This work is funded by NASA research grant: NNH18ZDA001N-PPR References: [1] Bell, M.S. et al. (2015) LPS XLVI, Abst. #1832 [2] Rucker et al. (2018) 42nd COSPAR (PPP.3) [3] Bell, M.S. et al. (2019) Mars Extant Life Conference, Abst. #5096.[4] Bell, M.S. et al., (2020) 43rd COSPAR (BO.2).[5] Danko D, et.al.,(2021)Front.Microbiol.12:608478.

Mary Suzanne Bell↗

The onset of galactic winds in early-type galaxies

Researchers report on a program using Einstein x ray observations of the x ray spectra and surface brightness profiles (or extents) of a large sample of early-type (elliptical and SO) galaxies for which the goal is to determine the critical optical luminosity for which galactic winds are important. For galaxies in which the x ray emission is dominated by hydrostatic coronae, the x ray spectra will be relatively soft (characterized by a temperature of approx. 10 to the 7th power K), while for galaxies with a galactic wind, the emission will be dominated by the spectrally harder discrete sources (since the x ray emission from the wind is essentially negligible). In this new sample of 180 galaxies, there are 28 early type galaxies with sufficient counts to obtain a spectrum with the Einstein Image Proportional Counter (IPC). This sample more than doubles the total number of early-type galaxies in earlier compilations (Forman, Jones, and Tucker 1985; Canizares et al. 1987). The new spectral observations will help determine the critical optical luminosity for the onset of galactic winds which is important for understanding the chemical evolution of galaxies and of the intergalactic medium. The implications of galactic winds for the heavy element enrichment and energy content of the intracluster medium are discussed.

Forman, W.↗

Ar-40/Ar-39 Studies of Martian Meteorite RBT 04262 and Terrestrial Standards

Park et al. recently presented an Ar-40/Ar-39 dating study of maskelynite separated from the Martian meteorite RBT 04262. Here we report an additional study of Ar-40/Ar-39 patterns for smaller samples, each consisting of only a few maskelynite grains. Considered as a material for Ar-40/Ar-39 dating, the shock-produced glass maskelynite has both an important strength (relatively high K concentration compared to other mineral phases) and some potentially problematic weaknesses. At Rutgers, we have been analyzing small grains consisting of a single phase to explore local effects that might be averaged and remain hidden in larger samples. Thus, to assess the homogeneity of the RBT maskelynite and for comparison with the results of, we analyzed six approx. 30 microgram samples of the same maskelynite separate they studied. Furthermore, because most Ar-40/Ar-39 are calculated relative to the age of a standard, we present new Ar-40/Ar-39 age data for six standards. Among the most widely used standards are sanidine from Fish Canyon (FCs) and various hornblendes (hb3gr, MMhb-1, NL- 25), which are taken as primary standards because their ages have been determined by independent, direct measurements of K and A-40.

Park, J.↗

Neutron Capture and Transmission Measurements of 54 Fe at the RPI LINAC

54 Fe radiative capture cross section and transmission measurements were conducted at the Rensselaer Polytechnic Institute (RPI) Gaerttner Linear Accelerator (LINAC) Center using an enriched 54 Fe sample in the keV energy region. 54 Fe is a constituent of natural iron, which is present in a large variety of nuclear grade materials. Therefore, it is important to have an accurate understanding of the cross sections of 54 Fe, which can be measured experimentally. In the time-of-flight measurements conducted at the LINAC, an array of four C 6 D 6 detectors surrounded the sample and radiative capture data were collected using a digital data acquisition system. Additionally, a Li-glass detector was used to collect transmission data using an analog data acquisition system. The radiative capture yield of the 54 Fe measurements were normalized to saturated resonances observed in Au and Ta to obtain an absolute capture yield. The preliminary capture yield and preliminary transmission obtained can be compared to evaluations and existing experimental data. Some disagreements were observed in prominent d-wave capture resonances observed in 54 Fe in the low-keV neutron energy region. Both sets of experimental data along with pre-existing datasets will greatly enhance RPI’s ability to perform resonance evaluation for 54 Fe up to roughly 1 MeV.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Glass Formation in Reluctant Glass Formers

The crystallization kinetics and glass forming ability of reluctant glass formers is investigated. This could ultimately aid the formation of bulk samples of unique glass compositions outside of normal glass forming regions allowing the optimization of certain properties of the glass. One important aspect of processing space is the containerless undercooling of molten substances. Theoretically, the extent of undercooling can be greatly enhanced by solidifying in the absence of heterogeneous nucleation resulting from contact with crucibles or molds. Techniques were established for the measurement of crystallization kinetics and critical cooling rates. The glass formation ability and crystallization kinetics of Ga2O-43CaO and several Al2O3-CaO compositions were measured. An apparatus was set up to measure the temperature of spherical samples on a thermocouple at large cooling rates. The time and temperature of nucleation is recorded and the probability of nucleation at various cooling rates can be measured.

Ethridge, E. C.↗

Climatology and Impact of Convection on the Tropical Tropopause Layer

Water vapor plays an important role in controlling the radiative balance and the chemical composition of the Tropical Tropopause Layer (TTL). Mechanisms ranging from slow transport and dehydration under thermodynamic equilibrium conditions to fast transport in convection have been proposed as regulators of the amount of water vapor in this layer. However,.details of these mechanisms and their relative importance remain poorly understood, The recently completed Tropical Composition, Cloud, and Climate Coupling (TC4) campaign had the opportunity to sample the.TTL over the Eastern Tropical Pacific using ground-based, airborne, and spaceborne instruments. The main goal of this study is to provide the climatological context for this campaign of deep and overshooting convective activity using various satellite observations collected during the summertime. We use the Microwave Humidity Sensor (MRS) aboard the NOAA-18 satellite to investigate the horizontal extent.and the frequency of convection reaching and penetrating into the TTL. We use the Moderate Resolution I1l1aging Spectroradiometer (MODIS) aboard the Aqua satellite to investigate the frequency distribution of daytime cirrus clouds. We use the Tropical Rainfall Measuring Mission(TRMM) and CloudSat to investigate the vertical structure and distribution of hydrometeors in the convective cells, In addition to cloud measurements; we investigate the impact that convection has on the concentration of radiatively important gases such as water vapor and ozone in the TTL by examining satellite measurement obtained from the Microwave Limb Sounder(MLS) aboard the Aura satellite.

Robertson, Franklin↗

Gel Precursors as Glass and Ceramic Starting Materials for Space Processing Applications Research

The crystallization kinetics and glass forming ability of reluctant glass formers is investigated. This could ultimately aid the formation of bulk samples of unique glass compositions outside of normal glass forming regions allowing the optimization of certain properties of the glass. One important aspect of processing in space is the containerless undercooling of molten substances. Theoretically, the extent of undercooling can be greatly enhanced by solidifying in the absence of heterogeneous nucleation resulting from contact with crucibles or molds. Techniques were established for the measurement of crystallization kinetics and critical cooling rates. The glass formation ability and crystallization kinetics of Ga2O-43CaO and several Al2O3-CaO compositions were measured. An apparatus was set up to measure the temperature of spherical samples on a thermocouple at large cooling rates. The time and temperature of nucleation is recorded and the probability of nucleation at various cooling rates can be measured.

Downs, R. L.↗

Inorganic characterization of switchgrass biomass using laser-induced breakdown spectroscopy

The inorganic characterization of 74 samples of switchgrass using laser-induced breakdown spectroscopy (LIBS) was undertaken. Determination of ash and inorganic elements content in biomass materials is vital for feedstock screening for bioconversion processes. Hierarchical models using principal component analysis (PCA) and partial least square analysis (PLS) were used to determine the presence of specific elemental micronutrients that are important in determining plant health for robust biomass production. LIBS uses a 532 nm laser with 45 mJ of laser power to excite the samples of switchgrass plant material and the emission of all the elements present in the plant samples were recorded in single spectra with a wide wavelength range of 200–800 nm. The results were compared to the laboratory standard technique, e.g., ICP-OES technique, to determine the true values for major micronutrients such as, silicon (Si), potassium (K), calcium (Ca), magnesium (Mg), phosphorus (P), and sulfur (S). Overall, our objectives were: 1) To determine the spectral features of switchgrass containing different amounts of these elements and 2) To examine the viability of this technique for determining the quality of the feedstock in terms of its inorganic composition. Cross-validation results showed that the broad-based model developed is promising for inorganics prediction in switchgrass. The LIBS validation prediction for the micronutrient elements mentioned here have been obtained. The regression coefficients for Si, were obtained to be 0.995, 0.994 for calibration and validation respectively, in case of Ca the regression coefficients were, 0.994 and 0.992 for calibration and validation. Similarly, in the case of Mg and K these were calculated to be 0.992 and 0.985, and 0.994 and 0.993 respectively. The regression coefficients are not as good as those for the elements mentioned, in case of the two elements S and P. They are 0.957, and 0.878, and 0.952 and 0.894 respectively for calibration, validation for the two elements. This demonstrates that LIBS-based techniques are inherently well suited for diverse environmental applications. Furthermore, LIBS along with PLS model can show capability in determining the viability of switchgrass as a biomass in the production of biofuels and survivability of switchgrass in processes associated with climate change. LIBS can help determining which switchgrass would be appropriate for a specific conversion process that favors low ash content overall or low value of specific inorganics.

59 BASIC BIOLOGICAL SCIENCES↗

An investigation of arc discharging on negatively biased dielectric conductor samples in a plasma

Proposals are now being developed for the construction of high-power photovoltaic systems for operation in low Earth orbit, where the plasma number density is about 1,000 to 1,000,000 per cubic cm. Existing data indicate that interactions between the plasma and high-voltage surfaces of an orbiting power system will occur. In ground tests, where the applied voltage is increased negatively from ground, the array current collection shows an approximately linear rise until it terminates in arcing at greater than several hundred volts negative. This arcing may reduce the power generation efficiency and could possibly affect the low-level logic circuits of the spacecraft. Therefore it is important that the arcing phenomenon be well understood. This study is a survey of the behavior of different dielectric-conductor samples, including a solar cell module, that were biased negatively in a low-density plasma environment with the intent of defining arc discharge conditions and characteristics. Procedures and results are discussed.

Miller, W. L.↗

Permutationally Invariant Networks for Enhanced Sampling (PINES): Discovery of Multimolecular and Solvent-Inclusive Collective Variables

The typically rugged nature of molecular free energy landscapes can frustrate efficient sampling of the thermodynamically relevant phase space due to the presence of high free energy barriers. Enhanced sampling techniques can improve phase space exploration by accelerating sampling along particular collective variables (CVs). A number of techniques exist for data-driven discovery of CVs parameterizing the important large scale motions of the system. A challenge to CV discovery is learning CVs invariant to symmetries of the molecular system, frequently rigid translation, rigid rotation, and permutational relabeling of identical particles. Of these, permutational invariance has proved a persistent challenge in frustrating the data-driven discovery of multi-molecular CVs in systems of self-assembling particles and solvent-inclusive CVs for solvated systems. In this work, we integrate Permutation Invariant Vector (PIV) featurizations with autoencoding neural networks to learn nonlinear CVs invariant to translation, rotation, and permutation, and perform interleaved rounds of CV discovery and enhanced sampling to iteratively expand sampling of configurational phase space and obtain converged CVs and free energy landscapes. Here, we demonstrate the Permutationally Invariant Network for Enhanced Sampling (PINES) approach in applications to the self-assembly of a 13-atom Argon cluster, association/dissociation of a NaCl ion pair in water, and hydrophobic collapse of a C 45 H 92 n-pentatetracontane polymer chain. We make the approach freely available as a new module within the PLUMED2 enhanced sampling libraries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Spatially Resolved Top-Down Proteomics of Tissue Sections Based on a Microfluidic Nanodroplet Sample Preparation Platform

Conventional proteomics measures the averaged signal from mixed cell populations or bulk tissues, leading to the dilution of significant changes in subpopulations of cells that might serve as important biomarkers. Recent developments in bottom-up proteomics have enabled spatial mapping of cellular heterogeneity in tissue microenvironments. However, bottom-up proteomics cannot precisely infer the abundance changes of intact proteins, which are presented as proteoforms. Herein, we described a spatially resolved top-down proteomics (TDP) platform for proteoform identification and quantification directly on thin tissue sections. The spatial TDP platform consisted of a nanoPOTS (nanodroplet Processing in One pot for Trace Samples)-based sample preparation system and an LCM (laser capture microdissection)-based cell isolation system. We improved the nanoPOTS sample preparation by adding benzonase in the extraction buffer to enhance the coverage of nucleus proteins. Using ~200 cultured cells as model samples, the improved approach increased proteoform identifications from 493 to 700; newly identified proteoforms primarily corresponded to nuclear proteins. To demonstrate the spatial TDP platform in tissue samples, we analyzed LCM-isolated tissue voxels from rat brain cortex and hypothalamus regions. We quantified 426 proteoforms by combining identifications from TopPIC and TDPortal with the quantitation from ProMex. Several proteoforms corresponding to the same gene exhibited mixed abundance profiles between two tissue regions, suggesting potential PTM-specific spatial distributions. The spatial TDP workflow has prospects for biomarker discovery at proteoform level from small tissue sections.

59 BASIC BIOLOGICAL SCIENCES↗

Comparative Analysis of Corrinoid Profiles across Host-Associated and Environmental Samples

Vitamin B 12 (the cyanated form of cobalamin cofactors) is best known for its essential role in human health. In addition to its function in human metabolism, cobalamin also plays important roles in microbial metabolism and can impact microbial community function. Cobalamin is a member of the structurally diverse family of cofactors known as cobamides that are produced exclusively by certain prokaryotes. Cobamides are considered shared nutrients in microbial communities because the majority of bacteria that possess cobamide-dependent enzymes cannot synthesize cobamides de novo. Furthermore, different microbes have evolved metabolic specificity for particular cobamides, and therefore, the availability of cobamides in the environment is important for cobamide-dependent microbes. Determining the cobamides present in an environment of interest is essential for understanding microbial metabolic interactions. By examining the abundances of different cobamides in diverse environments, including 10 obtained in this study, we find that, contrary to its preeminence in human metabolism, cobalamin is relatively rare in many microbial habitats. Comparison of cobamide profiles of mammalian gastrointestinal samples and wood-feeding insects reveals that host-associated cobamide abundances vary and that fecal cobamide profiles differ from those of their host gastrointestinal tracts. Environmental cobamide profiles obtained from aquatic, soil, and contaminated groundwater samples reveal that the cobamide compositions of environmental samples are highly variable. As the only commercially available cobamide, cobalamin is routinely supplied during microbial culturing efforts. Furthermore, these findings suggest that cobamides specific to a given microbiome may yield greater insight into nutrient utilization and physiological processes that occur in these habitats.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗