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DOE OSTI2024

Development of CD46 targeted alpha theranostics in prostate cancer using 134 Ce/ 225 Ac-Macropa-PEG 4 -YS5

Rationale: 225 Ac, a long-lived α-emitter with a half-life of 9.92 days, has garnered significant attention as a therapeutic radionuclide when coupled with monoclonal antibodies and other targeting vectors. Nevertheless, its clinical utility has been hampered by potential off-target toxicity, a lack of optimized chelators for 225 Ac, and limitations in radiolabeling methods. In a prior study evaluating the effectiveness of CD46-targeted radioimmunotherapy, we found great therapeutic efficacy but also significant toxicity at higher doses. To address these challenges, we have developed a radioimmunoconjugate called 225 Ac-Macropa-PEG 4 -YS5, incorporating a stable PEGylated linker to maximize tumoral uptake and increase tumor-to-background ratios. Our research demonstrates that this conjugate exhibits greater anti-tumor efficacy while minimizing toxicity in prostate cancer 22Rv1 tumors. Methods: We synthesized Macropa.NCS and Macropa-PEG 4/8 -TFP esters and prepared Macropa-PEG 0/4/8 -YS5 (with nearly ~1:1 ratio of macropa chelator to antibody YS5) as well as DOTA-YS5 conjugates. These conjugates were then radiolabeled with 225 Ac in a 2 M NH 4 OAc solution at 30 °C, followed by purification using YM30K centrifugal purification. Subsequently, we conducted biodistribution studies and evaluated antitumor activity in nude mice (nu/nu) bearing prostate 22Rv1 xenografts in both single-dose and fractionated dosing studies. Micro-PET imaging studies were performed with 134 Ce-Macropa-PEG 0/4/8 -YS5 in 22Rv1 xenografts for 7 days. Toxicity studies were also performed in healthy athymic nude mice. Results: As expected, we achieved a >95% radiochemical yield when labeling Macropa-PEG 0/4/8 -YS5 with 225 Ac, regardless of the chelator ratios (ranging from 1 to 7.76 per YS5 antibody). The isolated yield exceeded 60% after purification. Such high conversions were not observed with the DOTA-YS5 conjugate, even at a higher ratio of 8.5 chelators per antibody (RCY of 83%, an isolated yield of 40%). Biodistribution analysis at 7 days post-injection revealed higher tumor uptake for the 225 Ac-Macropa-PEG 4 -YS5 (82.82 ± 38.27 %ID/g) compared to other conjugates, namely 225 Ac-Macropa-PEG 0/8 -YS5 (38.2 ± 14.4/36.39 ± 12.4 %ID/g) and 225 Ac-DOTA-YS5 (29.35 ± 7.76 %ID/g). The PET Imaging of 134 Ce-Macropa-PEG 0/4/8 -YS5 conjugates resulted in a high tumor uptake, and tumor to background ratios. In terms of antitumor activity, 225 Ac-Macropa-PEG 4 -YS5 exhibited a substantial response, leading to prolonged survival compared to 225 Ac-DOTA-YS5, particularly when administered at 4.625 kBq doses, in single or fractionated dose regimens. Chronic toxicity studies observed mild to moderate renal toxicity at 4.625 and 9.25 kBq doses. Conclusions: Our study highlights the promise of 225 Ac-Macropa-PEG 4 -YS5 for targeted alpha particle therapy. The 225 Ac-Macropa-PEG 4 -YS5 conjugate demonstrates improved biodistribution, reduced off-target binding, and enhanced therapeutic efficacy, particularly at lower doses, compared to 225 Ac-DOTA-YS5. Incorporating theranostic 134 Ce PET imaging further enhances the versatility of macropa-PEG conjugates, offering a more effective and safer approach to cancer treatment. Overall, this methodology has a high potential for broader clinical applications.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2010

World, We Have Problems: Simulation for Large Complex, Risky Projects, and Events

Prior to a spacewalk during the NASA STS/129 mission in November 2009, Columbia Broadcasting System (CBS) correspondent William Harwood reported astronauts, "were awakened again", as they had been the day previously. Fearing something not properly connected was causing a leak, the crew, both on the ground and in space, stopped and checked everything. The alarm proved false. The crew did complete its work ahead of schedule, but the incident reminds us that correctly connecting hundreds and thousands of entities, subsystems and systems, finding leaks, loosening stuck valves, and adding replacements to very large complex systems over time does not occur magically. Everywhere major projects present similar pressures. Lives are at - risk. Responsibility is heavy. Large natural and human-created disasters introduce parallel difficulties as people work across boundaries their countries, disciplines, languages, and cultures with known immediate dangers as well as the unexpected. NASA has long accepted that when humans have to go where humans cannot go that simulation is the sole solution. The Agency uses simulation to achieve consensus, reduce ambiguity and uncertainty, understand problems, make decisions, support design, do planning and troubleshooting, as well as for operations, training, testing, and evaluation. Simulation is at the heart of all such complex systems, products, projects, programs, and events. Difficult, hazardous short and, especially, long-term activities have a persistent need for simulation from the first insight into a possibly workable idea or answer until the final report perhaps beyond our lifetime is put in the archive. With simulation we create a common mental model, try-out breakdowns of machinery or teamwork, and find opportunity for improvement. Lifecycle simulation proves to be increasingly important as risks and consequences intensify. Across the world, disasters are increasing. We anticipate more of them, as the results of global warming prove more and more ominous-glaciers melting in Bolivia, floods in Saudi Arabia, the Maldives sinking and salt rising along the Nile. Fear grows about potential asteroid crashes and nightly television images raise awareness of victims of floods, hurricanes, cyclones and typhoons, fire, tornado, tsunami, bombings, landslides, and cross-boundary criminality. The Red Cross says that disasters impact 250 million people each year. That means that 700,000 people are having a very bad day today. Modeling and simulation is and must be part of the solution.

Elfrey, Priscilla↗
NASA NTRS2005

Comets, Carbonaceous Meteorites, and the Origin of the Biosphere

The biosphere comprises the Earth s crust, atmosphere, oceans, and ice caps and the living organisms that survive within this habitat. The discoveries of barophilic chemolithoautotrophic thermophiles living deep within the crust and in deep-sea hydrothermal vents, and psychrophiles in permafrost and deep within the Antarctic Ice Sheet indicate the Earth s biosphere is far more extensive than previously recognized. Molecular biomarkers and Bacterial Paleontology provide evidence that life appeared very early on the primitive Earth and the origin of the biosphere is closely linked with the emergence of life. The role of comets, meteorites, and interstellar dust in the delivery of water, organics and prebiotic chemicals has long been recognized. Deuterium enrichment of seawater and comets indicates that comets delivered oceans to the early Earth. Furthermore, the similarity of the D/H ratios and the chemical compositions of CI carbonaceous meteorites and comets indicate that the CI meteorites may be remnants of cometary nuclei with most volatiles removed. Comets, meteorites, and interstellar dust also contain complex organic chemicals, amino acids, macromolecules, and kerogen-like biopolymers and may have played a crucial role in the delivery of complex organics and prebiotic chemicals during the Hadean (4.5-3.8 Gyr) period of heavy bombardment. The existence of indigenous microfossils of morphotypes of cyanobacteria in the CI and CM carbonaceous meteorites suggests that the paradigm that life originated endogenously in the primitive oceans of early Earth may require re-consideration. Recent data on the hot (300-400 K) black crust on comet P/Halley and Stardust images of P/Wild 2 showing depressions, tall cliffs, and pinnacles, indicate the presence of thick, durable, dark crusts on comets. If cavities within the ice and crust sustain vapor pressures in excess of 10 millibar, then localized pools of liquid water and brines could exist within the comet. Since life exists on Earth wherever there is liquid water, it is suggested that comets might also harbour viable and/or cryopreserved microbiota.

Hoover, Richard B.↗
DOE OSTI2022

Atomic-Scale Surface Studies of Bulk Metallic Glasses. Final Report

Bulk metallic glasses (BMGs) are of both scientific and technological interest because the absence of periodic atomic arrangements provides them with unique physical, chemical, and mechanical properties. Their high strength, superior elasticity, and an ability to be easily formed into virtually unlimited shapes with feature sizes from centimeters to Angstroms by blow molding and thermoplastic forming makes them an attractive choice for more and more practical applications and products. Due to their complex internal structure, however, experiments that yield insight into their exact atomic arrangements have been scarce. As a result, glass physics is one of the last remaining unexplored fields of materials science despite the scientific and technological importance of glasses in our daily lives, and the question how to characterize and control matter away from equilibrium, as glasses are, was listed as one of five Grand Challenges in a recent DoE report. The main reason for the slow progress in glass physics is the lack of experimental tools that enable access to atomic-scale structural and behavioral information for disordered materials. Such atomic-scale knowledge is mandatory to establish structure-property relationships that ultimately could allow to custom-design alloys featuring specific desired characteristics. With no such relationships available, theory development in glass remains basic and the few that exist are often untested. The aim of this research was to enable progress in our understanding of BMGs by developing a new approach that will allow a meaningful application of local surface science methods to specially prepared BMG samples to obtain a wealth of quantitative information on their atomic arrangements. Key was the availability of specially prepared samples whose surfaces feature large atomically flat terraces despite being entirely amorphous, which we have produced from a Pt 57.5 Cu 14.7 Ni 5.3 P 22.5 alloy (‘Pt-BMG’) both under ambient conditions as well as in ultrahigh vacuum using a unique setup that has been specially developed within this grant. Our approach starts with the in-situ preparation of oxide crystals that are terminated by large terraces, from which exact mirror images out of BMG will be produced using thermoplastic forming (TPF); for the research within this grant, we have successfully used (001)-oriented SrTiO 3 single crystal surfaces as well as (100)-, (110)-, and (111)-oriented single crystals made from LaAlO 3 . Since the resulting BMG replicas display all features of the original crystal with sub-Angstrom fidelity, thereby mimicking the original crystal’s termination by atomically flat terraces without being crystalline themselves, they are ideally suited for further investigation. The following atomic-scale local studies were then carried within this proposal: (i) high-resolution surface imaging and local spectroscopy using scanning probe microscopy, which showed disordered atom-like features and revealed changes in the gradient of the local surface potential on a 1-2 nm length scale; (ii) characterization of atomic-scale plastic flow with affected volumes as low as 1000 atoms, which showed local hardness near or above the theoretically predicted maximum and, once plastic deformation was initiated, homogeneous flow of the atoms involved; (iii) characterization of surface relaxation processes and the onset of crystallization induced by annealing, which showed that upon heating over the material’s glass transition temperature, the surface rearranges and relaxes towards a more stable, denser packed glass, which increases on-terrace surface roughness, while surface tension smoothens step edges; and (iv) studies that investigate the dependence of the material’s mechanical properties and structure on processing parameters, revealing that relaxed glasses get denser, harder, and more elastic. In combination, this information allows to combine structural models with mechanical properties and preparation history, thereby facilitating the development of preparation-structure-property relationships for metallic glasses. With the availability of such information, bulk metallic glasses can be further optimized to be used in more and more applications in industry.

36 MATERIALS SCIENCE↗
NASA NTRS2023

Assessing High Resolution Thermal Monitoring of Complex Intertidal Environments From Space: the Case of ECOSTRESS at Rias Baixas, NW Iberia

Currently, thermal sensors on satellites and other orbital platforms with high spatial resolution designed to monitor the oceans are often insufficient to assess the surface temperature of small bodies of water or within the coastal boundary layer. As the accuracy and sensitivity of remote sensing satellites improve, the demand for more accurate and up-to-date basic data sets for calibration increases. The quality of the thermal data collected by ECOSTRESS on the International Space Station allows the characterization of thermal stress levels in coastal ecosystems with a high spatial resolution of 70 m and a return time from hours to 5 days. This study focused on the calibration of ECOSTRESS estimates with in situ surface temperature data from sensors installed at 3 cm depth in the sediment on the intertidal muddy sandflats of three of the Rías Baixas in Galicia, NW Iberian Peninsula, from 2019 to 2021. A final number of 45 ECOSTRESS temperature images were analyzed. From these, 20% contained substantial georeferencing errors which had to be corrected manually with GIS software tools. We applied the Fourier's law of Heat Conduction to derive surface estimates from loggers sub-surface measurements that could be directly compared with ECOSTRESS data. Overall, a good calibration which explained more than 80% of ECOSTRESS temperature estimates for the whole dataset was obtained, but with an intrinsic cold bias around 1.39 °C. When temperatures at a depth of 3 cm were used, the linear fit became worse and the negative bias increased to 1.49 °C. Closer inspection revealed that night measurements were responsible for this larger deviation, as ECOSTRESS estimates became much colder compared to within sediment measurements because of the combined effect of the instrument intrinsic bias and nocturnal surface cooling. The best calibration was obtained when surface estimates were calculated just for the nighttime, as the cold bias decreased to 0.93 °C. More importantly, during hot daytime conditions in emersion above 20 °C, ECOSTRESS data matched surface temperature estimates, probably because of a better performance of ECOSTRESS algorithm at dry surfaces with lower emissivity. Thus, during the most ecologically relevant periods when high temperatures could drive thermal stress in many commercially-important bivalve species, ECOSTRESS provides accurate surface estimates that can be used to derive sub surface temperatures at the depths at which the different burrowing organisms live. We thus conclude that this instrument constitutes an important global tool to examine thermal stress at an unprecedented spatial scale for complex sea-land boundary systems.

ECOSTRESS↗
NASA NTRS2023

Decoupling in the Vertical Shape of HCHO During a Sea Breeze Event: the Effect on Trace Gas Satellite Retrievals and Column-to-Surface Translation

The effect of sea breeze circulation on stratification of the vertical formaldehyde (HCHO) concentration vertical profiles is explored using a regional atmospheric chemical transport model (CTM) for three synoptically stagnant days focused on the east coast of the U.S in June 2018. During this event, a significant thermal contrast between the Atlantic Ocean and the terrestrial regions (12–17 °C), observed by moderate resolution imaging spectroradiometer (MODIS) and well-captured by the WRF-CMAQ model (15–18 °C), is conducive to monsoon-like flow, perpendicular to the shorelines, carrying clean marine air masses over the land within a few hundreds of meters above the surface. In contrast, the westerly continental polluted air masses prevail in higher altitudes. These two conflicting flows result in atypical vertical shapes of HCHO concentrations increasing with altitude. This decoupling pattern is so pronounced that we observe total column HCHO negatively correlate with surface concentrations. Comparisons of an accredited global model, GEOS-CF, to surface wind measurements and MODIS skin temperature indicate its poor representation of the sea breeze timing and strength, resulting in GEOS-CF HCHO vertical shapes being drastically different from the WRF-CMAQ. Based on radiative transfer calculations, the differences in the vertical distribution of HCHO between the WRF-CMAQ and that of GEOS-CF in the first 3 km are sufficient to induce a 20–30% error in air mass factors (thus total vertical HCHO column abundances). Through an experiment involving converting HCHO total columns to surface mixing ratios, we demonstrate that GEOS-CF allocates noticeably more HCHO molecules (40–150%) to the surface layer due to the misrepresentation of the vertical shape of HCHO during the sea breeze event. It is known that a significant fraction of the human population lives in coastal areas prone to detrimental effects caused by air pollution, and elevated pollutant concentrations usually occur in synoptically stagnant atmospheric conditions when local circulation patterns come into play; accordingly, our experiments emphasize the importance of the effect a priori profiles can have on satellite-derived applications under such conditions. To ensure that the quantitative representation of satellite-based trace gas retrievals on a daily basis is trustworthy and useable for air quality applications, atmospheric models providing a priori profiles for satellite retrievals should be well-tuned to reproduce complex local circulation such as sea-land breezes.

sea breeze↗
NASA NTRS1997

The Solar-Stellar Connection (NAG5-6124: SOHO Guest Investigator Program)

The following is a final report from the SOHO Guest Investigator program to use the SUMER far-UV spectrometer to obtain imaging spectroscopy in support of the goals of the so-called "solar-stellar connection." In particular, a major emphasis was utilization of the long-slit time-resolved maps of the solar surface in bright far-UV emission lines to deduce how particular aspects of the temporally and spatially averaged line profiles trace back to individual structural features of the magnetically disturbed outer atmosphere; to help interpret the unresolved line profiles from high quality stellar observations (say, with the Space Telescope Imaging Spectrograph). The researchers served two tours of duty in the SOHO Operations Center as SUMER planners, during which time we conducted an extensive series of observing programs. These can be divided into three general categories: surface mapping, translimb spectroscopy, and active region diagnostics. We have analyzed some of the large volumes of data to the point where we have presented them in poster papers, and in invited papers at national and international meetings. Listed below are the titles of the preliminary publications we have written, including brief abstracts to indicate the main results. (1) Chromospheric structure and Dynamics-- Observations -- The chromosphere is a highly structured dynamic 'layer' of the solar outer atmosphere. Here, not only are the effects of mechanical heating first evident (moving upward in altitude from the deep photosphere), but also the amount of nonradiative energy deposited is far greater than in the albeit much hotter overlying transition region and corona. Further, the chromosphere is by far the thickest zone of the solar atmosphere with respect to the pressure scale height. A major goal of stellar astrophysics is to understand how the chromosphere is heated and why it adopts its peculiar structure. A cursory examination of solar filtergrams and high-resolution movies demonstrates that much of the chromospheric "action" must be occurring on fine spatial scales and short times; particularly in the cell interior transient brightenings, but also in the longer-lived network fragments. That regime of investigation is far removed from what one usually associates with "synoptic" measurements. Nevertheless, synoptic observations of chromospheric indices, filtergrams, and globally-averaged profile parameters not only can provide important insight concerning the crucial role of the cycle-variable part of the solar magnetic field; but they also can forge a key link with analogous measurements of the stars, where often the phenomena can be significantly exaggerated from the solar case, but high spatial resolution reconnaissance is not even a remote possibility. In addition to discussing the synoptic aspects of chromospheric structure and dynamics, I summarized new insights into the general problem of the solar chromosphere that have been obtained recently with the SUMER far-ultraviolet spectrometer on SOHO. (2) CO and the Temperature Structure of the Solar Atmosphere -- The surface layers of the Sun provide a crucial boundary condition for many of the processes that occur in the deep interior. The stratification of the outer solar atmosphere once was thought to be well understood. However, studies of thermally sensitive molecular absorptions in the infrared revealed puzzling anomalies. Strong lines of the CO fundamental vibration-rotation bands near 5 microns showed very cool temperatures at the extreme limb, and remarkable off-limb emissions extending well into the supposedly hot chromosphere. The conflicting pictures of the photosphere/chromosphere interface, from the widely separated wavelength regimes, has raised suspicions that those "layers" of the atmosphere are much more inhomogeneous than previously suspected. One proposal is that the low chromosphere is dominated by cool gas, the "COmosphere," which is threaded by a network of persistent small-scale hot magnetic filaments and occasionally disrupted by localized acoustic disturbances. The COmosphere is capped by the merged fields of the network elements in the chromospheric "canopy." (3) Translimb Spectroscopy with SOHO/SUMER -- We have used SUMER to obtain deep exposures of the 1300-1400 A spectrum, at the extreme limb and off-limb. Previous "translimb" studies in the thermal infrared had revealed remarkable extensions of cold material (T is approximately equal to 3000 K)-traced by carbon monoxide emission lines-into the heart of the hot chromosphere. A main objective of our program was to search for corresponding far-UV signatures of the "thermally-bifurcated" low chromosphere; for example, radiatively fluoresced emissions of the CO A-X 4th-positive system (collisional excitation would be negligible in cold gas). We conducted two separate observing programs with SUMER. Both made use of the 1 inch-diameter circular aperture, translated across the limb in the minimum motor step increments of 0."375, along the central meridian in the Northern polar coronal hole. The first program executed for nine hours beginning 19UT 25 Oct 1996. The full wavelength range was 1340-1400 A. It was recorded in two overlapping segments, placing key regions of the spectrum alternately on the KBr and bare parts of the detector, to help isolate 2nd-order features. Each segment was integrated for 500 s, and 32 pairs were obtained to span a 12" swath centered on the optical limb. The second program was conducted 00-09UT 01 Dec 1996. It consisted of a single wavelength setting (1300-1340 A) with exposure time 500 s, but twice the spatial coverage of the earlier series: 64 steps, for a total displacement of 24". The strong chromospheric resonance lines of atomic oxygen (1302-1305 A) and ionized carbon (1334-1335 A) were observed on the bare part of the MCP camera.

Ayres, Thomas R.↗
DOE OSTI2023

Rational design of a genetically encoded NMR zinc sensor

Elucidating the biochemical roles of the essential metal ion, Zn 2+ , motivates detection strategies that are sensitive, selective, quantitative, and minimally invasive in living systems. Fluorescent probes have identified Zn 2+ in cells but complementary approaches employing nuclear magnetic resonance (NMR) are lacking. Recent studies of maltose binding protein (MBP) using ultrasensitive 129 Xe NMR spectroscopy identified a switchable salt bridge which causes slow xenon exchange and elicits strong hyperpolarized 129 Xe chemical exchange saturation transfer (hyper-CEST) NMR contrast. To engineer the first genetically encoded, NMR-active sensor for Zn 2+ , we converted the MBP salt bridge into a Zn 2+ binding site, while preserving the specific xenon binding cavity. The zinc sensor (ZS) at only 1 μM achieved ‘turn-on’ detection of Zn 2+ with pronounced hyper-CEST contrast. This made it possible to determine different Zn 2+ levels in a biological fluid via hyper-CEST. ZS was responsive to low-micromolar Zn 2+ , only modestly responsive to Cu 2+ , and nonresponsive to other biologically important metal ions, according to hyper-CEST NMR spectroscopy and isothermal titration calorimetry (ITC). Protein X-ray crystallography confirmed the identity of the bound Zn 2+ ion using anomalous scattering: Zn 2+ was coordinated with two histidine side chains and three water molecules. Penta-coordinate Zn 2+ forms a hydrogen-bond-mediated gate that controls the Xe exchange rate. Metal ion binding affinity, 129 Xe NMR chemical shift, and exchange rate are tunable parameters via protein engineering, which highlights the potential to develop proteins as selective metal ion sensors for NMR spectroscopy and imaging.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

The New National Vision for Space Exploration

From the Apollo landings on the Moon, to robotic surveys of the Sun and the planets, to the compelling images captured by advanced space telescopes, U.S. achievements in space have revolutionized humanity s view of the universe and have inspired Americans and people around the world. These achievements also have led to the development of technologies that have widespread applications to address problems on Earth. As the world enters the second century of powered flight, it is appropriate to articulate a new vision that will define and guide U.S. space exploration activities for the next several decades. Today, humanity has the potential to seek answers to the most fundamental questions posed about the existence of life beyond Earth. Telescopes have found planets around other stars. Robotic probes have identified potential resources on the Moon, and evidence of water - a key ingredient for life - has been found on Mars and the moons of Jupiter. Direct human experience in space has fundamentally altered our perspective of humanity and our place in the universe. Humans have the ability to respond to the unexpected developments inherent in space travel and possess unique skills that enhance discoveries. Just as Mercury, Gemini, and Apollo challenged a generation of Americans, a renewed U.S. space exploration program with a significant human component can inspire us - and our youth - to greater achievements on Earth and in space. The loss of Space Shuttles Challenger and Columbia and their crews are a stark reminder of the inherent risks of space flight and the severity of the challenges posed by space exploration. In preparation for future human exploration, we must advance our ability to live and work safely in space and, at the same time, develop the technologies to extend humanity s reach to the Moon, Mars, and beyond. The new technologies required for further space exploration also will improve the Nation s other space activities and may provide applications that could be used to address problems on Earth. Like the explorers of the past and the pioneers of flight in the last century, we cannot today identify all that we will gain from space exploration; we are confident, nonetheless, that the eventual return will be great. Like their efforts, the success of future U.S. space exploration will unfold over generations. The fundamental goal of this new national vision is to advance U.S. scientific, security, and economic interests through a robust space exploration program. In support of this goal, the United States will: 1) Implement a sustained and affordable human and robotic program to explore the solar system and beyond; 2) Extend human presence across the solar system, starting with a human return to the Moon by the year 2020, in preparation for human exploration of IMars and other destinations; 3) Develop the innovative technologies, knowledge, and infrastructures both to explore and to support decisions about the destinations for human exploration; and 4) Promote international and commercial participation in exploration to further U.S. scientific, security, and economic interests.

Sackheim, Robert L.↗
NASA NTRS1993

The red edge in arid region vegetation: 340-1060 nm spectra

The remote sensing study of vegetated regions of the world has typically been focused on the use of broad-band vegetation indices such as NDVI. Various modifications of these indices have been developed in attempts to minimize the effect of soil background, e.g., SAVI, or to reduce the effect of the atmosphere, e.g., ARVI. Most of these indices depend on the so-called 'red edge,' the sharp transition between the strong absorption of chlorophyll pigment in visible wavelengths and the strong scattering in the near-infrared from the cellular structure of leaves. These broadband indices tend to become highly inaccurate as the green canopy cover becomes sparse. The advent of high spectral resolution remote sensing instrument such as the Airborne Visible and Infrared Imaging Spectrometer (AVIRIS) has allowed the detection of narrow spectral features in vegetation and there are reports of detection of the red edge even for pixels with very low levels of green vegetation cover by Vane et al. and Elvidge et al., and to characterize algal biomass in coastal areas. Spectral mixing approaches similar to those of Smith et al. can be extended into the high spectral resolution domain allowing for the analysis of more endmembers, and potentially, discrimination between material with narrow spectral differences. Vegetation in arid regions tends to be sparse, often with small leaves such as the creosote bush. Many types of arid region vegetation spend much of the year with their leaves in a senescent state, i.e., yellow, with lowered chlorophyll pigmentation. The sparseness of the leaves of many arid region plants has the dual effect of lowering the green leaf area which can be observed and of allowing more of the sub-shrub soil to be visible which further complicates the spectrum of a region covered with arid region vegetation. Elvidge examined the spectral characteristics of dry plant materials showing significant differences in the region of the red edge and the diagnostic ligno-cellulose absorptions at 2090 nm and 2300 nm. Ray et al. detected absorption at 2100 nm in AVIRIS spectra of an abandoned field known to be covered by a great deal of dead plant litter. In order to better study arid region vegetation remote sensing data, it is necessary to better characterize the reflectance spectra of in situ, living, arid region plants.

Ray, Terrill W.↗
DOE OSTI2023

The 100-month Swift catalogue of supergiant fast X–ray transients

Supergiant fast X-ray transients (SFXTs) are high mass X-ray binaries (HMXBs) displaying X-ray outbursts that can reach peak luminosities up to 10 38 erg s -1 and spend most of their lives in more quiescent states with luminosities as low as 10 32 -10 33 erg s -1 . During the quiescent states, less luminous flares are also frequently observed with luminosities of 10 34 -10 35 erg s -1 . The main goal of the comprehensive and uniform analysis of the SFXT Swift triggers presented in this paper is to provide tools to predict whether a transient that has no known X-ray counterpart may be an SFXT candidate. These tools can be exploited for the development of future missions exploring the variable X-ray sky through large field-of-view instruments. We examined all available data on outbursts of SFXTs that triggered the Swift/Burst Alert Telescope (BAT) collected between 2005 August 30 and 2014 December 31, in particular those for which broad-band data, including the Swift/X-ray Telescope (XRT) data, are also available. This work complements and extends our previous catalogue of SFXT flares detected by BAT from 2005 February 12 to 2013 May 31, since we now include the additional BAT triggers recorded until the end of 2014 (i.e. beyond the formal first 100 months of the Swift mission). Due to a change in the mission’s observational strategy, virtually no SFXT triggers obtained a broad-band response after 2014. We processed all BAT and XRT data uniformly by using the Swift Burst Analyser to produce spectral evolution dependent flux light curves for each outburst in the sample. The BAT data allowed us to infer useful diagnostics to set SFXT triggers apart from the general γ-ray burst population, showing that SFXTs uniquely give rise to image triggers and are simultaneously very long, faint, and ‘soft’ hard-X-ray transients. We find that the BAT data alone can discriminate very well the SFXTs from other classes of fast transients, such as anomalous X-ray pulsars and soft gamma repeaters. On the contrary, the XRT data collected around the time of the BAT triggers are shown to be decisive for distinguishing SFXTs from, for instance, accreting millisecond X-ray pulsars and jetted tidal disruption events. The XRT observations of 35 (out of 52 in total) SFXT BAT triggers show that in the soft X-ray energy band, SFXTs display a decay in flux from the peak of the outburst of at least three orders of magnitude within a day and rarely undergo large re-brightening episodes, favouring in most cases a rapid decay down to the quiescent level within three to five days (at most).

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2000

Massive Star Formation in NGC4038/4039: HII Regions and Supernova Remnants in "The Antennae"

The nearest merger, NGC4038/4039 ("The Antennae, Arp244), is undergoing a starburst apparently triggered and driven by the ongoing interaction. The system provides an excellent laboratory to study star formation processes because well-studied and nearby (21 Mpc assumed here). Models of the interaction suggest that the interaction's first periapse occurred 200 Myr ago, and that final coalescence will occur in another 100 Myr. Blue and H alpha images show a continuous loop of bright knots around the NGC4038 (northern) nucleus, continuing down through the NGC4039 (southern) nucleus. Recent HST V and I images resolve the star-forming knots into several thousand blue compact clusters, with ages 5Myr for the youngest clusters. Far Ultraviolet (lambda 1500A) observations directly detect O and B stars in regions of low extinction; the total mass of young stars so observed is approximately 8 x 10 (exp 5) solar mass. FIR observations imply a star formation rate of approximately 5 M (sub 0) dot yr (sup -1) or greater. We used the VLA at 6 and 4 cm to obtain high resolution radio images of the star-formation regions in NGC4038/4038. We used high resolution imaging to identify compact radio emitting regions and spectral indices of the compact regions to differentiate between thermal sources such as HII regions (flat spectra) and supernova, remnants (steep spectra). We found that compact radio sources produce approximately 12% and/sim 25 strongest radio emission occurs between the galaxies, at an optically unremarkable location near but not coincident with an extremely red cluster. The radio peak is at a location of intense star formation (as detected in the mid-IR, reference?) and of dense molecular gas. We identify 115 individual compact 6cm radio sources and 63 individual 4 cm sources in the system, to a limiting luminosity of approximately 2 x 10 (exp 1) 8 W Hz (sup -1) (or /sim4x the luminosity of Cas A). Of the strongest sources, for which the h flux densities are large enough to measure spectral indices with reasonable errors, we find that one third have nominally flat radio spectra (presumeable dominated by thermal emission from HII regions) and two thirds have nominally steep spectra (presumeably dominated by synchrotron emission from supernova, remnants). For the thermal sources, we derive typical masses of 10 (exp 4) to 10 (exp 5) solar mass in massive young stars and ionized gas masses of 10 (exp 3) - 10 (exp 4) solar mass. From the steep-spectrum sources, we derive a total system supernova rate of 0.2-0.3 yr (sup -1), about an order of magnitude larger than that expected from the currently observed O-star population. Taken together, these suggest that that a large number of O stars may have formed in the system in a short-lived burst, less than 10 (exp 6) yr in duration and about 3-4 Myr ago.

Neff, S. G.↗
NASA NTRS2011

TRMM-Based Lightning Climatology

Gridded climatologies of total lightning flash rates seen by the spaceborne Optical Transient Detector (OTD) and Lightning Imaging Sensor (LIS) have been updated. OTD collected data from May 1995 to March 2000. LIS data (equatorward of about 38 deg) has been added for 1998-2010. Flash counts from each instrument are scaled by the best available estimates of detection efficiency. The long LIS record makes the merged climatology most robust in the tropics and subtropics, while the high latitude data is entirely from OTD. The mean global flash rate from the merged climatology is 46 flashes per second. The peak annual flash rate at 0.5 deg scale is 160 fl/square km/yr in eastern Congo. The peak monthly average flash rate at 2.5 scale is 18 fl/square km/mo, from early April to early May in the Brahmaputra Valley of far eastern India. Lightning decreases in this region during the monsoon season, but increases further north and west. A monthly average peak from early August to early September in northern Pakistan also exceeds any monthly averages from Africa, despite central Africa having the greatest yearly average. Most continental regions away from the equator have an annual cycle with lightning flash rates peaking in late spring or summer. The main exceptions are India and southeast Asia, with springtime peaks in April and May. For landmasses near the equator, flash rates peak near the equinoxes. For many oceanic regions, the peak flash rates occur in autumn. This is particularly noticeable for the Mediterranean and North Atlantic. Landmasses have a strong diurnal cycle of lightning, with flash rates generally peaking between 3-5 pm local solar time. The central United States flash rates peak later, in late evening or early night. Flash rates peak after midnight in northern Argentina. These regions are known for large, intense, long-lived mesoscale convective systems.

Cecil, Daniel J.↗
NASA NTRS2004

The Ultra-Luminous X-ray Source Population from the Chandra Archive of Galaxies

One hundred fifty-four discrete non-nuclear Ultra-Luminous X-ray (ULX) sources, with spectroscopically-determined intrinsic X-ray luminosities greater than 1 e39 ergs/s, are identified in 82 galaxies observed with Chandra's Advanced CCD Imaging Spectrometer. Source positions, X-ray luminosities, and spectral and timing characteristics are tabulated. Statistical comparisons between these X-ray properties and those of the weaker discrete sources in the same fields (mainly neutron star and stellar-mass black hole binaries) are made. Sources above approximately le38 ergs per second display similar spatial, spectral, color, and variability distributions. In particular, there is no compelling evidence in the sample for a new and distinct class of X-ray object such as the intermediate-mass black holes. 83% of ULX candidates have spectra that can be described as absorbed power laws with index = 1.74 and column density = 2.24e21 l per square centimeter, or approximately 5 times the average Galactic column. About 20% of the ULX's have much steeper indices indicative of a soft, and likely thermal, spectrum. The locations of ULXs in their host galaxies are strongly peaked towards their galaxy centers. The deprojected radial distribution of the ULX candidates is somewhat steeper than an exponential disk, indistinguishable from that of the weaker sources. About 5--15% of ULX candidates are variable during the Chandra observations (which average 39.5 ks). Comparison of the cumulative X-ray luminosity functions of the ULXs to Chandra Deep Field results suggests approximately 25% of the sources may be background objects including 14% of the ULX candidates in the sample of spiral galaxies and 44% of those in elliptical galaxies implying the elliptical galaxy ULX population is severely compromised by background active galactic nuclei. Correlations with host galaxy properties confirm the number and total X-ray luminosity of the ULXs are associated with recent star formation and with galaxy merging and interactions. The preponderance of ULXs in star-forming galaxies as well as their similarities to less-luminous sources suggest they originate in a young but short-lived population such as the high-mass X-ray binaries with a smaller contribution (based on spectral slope) from recent supernovae. The number of ULXs in elliptical galaxies scales with host galaxy mass and can be explained most simply as the high-luminosity end of the low-mass X-ray binary population.

Swartz, Douglas A.↗
DOE OSTI2022

A High-Throughput Computing Infrastructure to Generate Custom, Open Community Geothermal Datasets

The most significant challenge facing geothermal research, development, and deployment is a lack of comprehensive datasets describing the geological and economical properties of North America. Automated knowledge base construction, the process of designing algorithms to analyze text and images to programmatically build new datasets, is one possible solution to this problem. The xDD library of full-text scientific articles (https://xdd.wisc.edu) is one of the largest collections of open and controlled-access scientific documents available for knowledge base construction in the world, but it has been underutilized by experts in geothermal research. The xDD development team attributed the lack of engagement by software developers and geothermal researchers to two perceived shortcomings of the system. First, the workflow for obtaining data from xDD for local development and testing of data mining applications was unnecessarily abstruse and required significant manual intervention by xDD systems administrators. Second, although xDD already held articles from a broad cross-section of scientific literature with an emphasis on the geosciences, it did not have an explicit set of geothermal research documents that could serve as the nucleus of a geothermal data mining application. To address these issues, the Automated Data Extraction PlaTform (ADEPT) was proposed to extend the data distribution capabilities of the xDD system. The ADEPT extension added the following four key features to xDD: 1) integration of National Geothermal Data System (NGDS) documents into the xDD library to provide an explicitly geothermally-themed collection; 2) improved RESTful (i.e., https-protocol driven) web services for external partners to access xDD data for machine learning application development; 3) a web platform for end-users and xDD administrators to coordinate the development of data mining applications from the initial step of browsing available documents to the final stage of deploying a production-quality machine learning application on high-throughput computing infrastructure; and 4) the development of demonstration data mining applications to illustrate the new workflow to potential collaborators. A total of 21,674 geothermal documents from NGDS were fully ingested into the xDD library and the associated metadata is publicly available through the xDD web services; furthermore, the ADEPT web platform is now publicly accessible and fully live at https://xdd.wisc.edu/adept/.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Expected Gamma-Ray Burst Detection Rates and Redshift Distributions for the BlackCAT CubeSat Mission

We report the results of an extensive set of simulations exploring the sensitivity of the BlackCAT CubeSat to long-duration gamma-ray bursts (GRBs). BlackCAT is a NASA APRA-funded CubeSat mission for the detection and real-time subarcminute localization of high-redshift (z ≳ 3.5) GRBs. Thanks to their luminous and long-lived afterglow emissions, GRBs are uniquely valuable probes of high-redshift star-forming galaxies and the intergalactic medium. In addition, each detected GRB with a known redshift serves to localize a region of high-redshift star formation in three dimensions, enabling deep follow-on searches for host galaxies and associated local and large-scale structures. We explore two distinct models for the GRB redshift distribution and luminosity function, both consistent with Swift observations. We find that, for either model, BlackCAT is expected to detect a mean of 42 bursts per year on orbit, with 6.7% to 10% of these at z > 3.5. BlackCAT bursts will be localized to an r 90 ≲ 55'' precision and reported to the community within seconds. Due to the mission orbit and pointing scheme, bursts will be located in the night sky and well placed for deep multiwavelength follow-up observations. BlackCAT is on schedule to achieve launch readiness in 2025.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2005

Magnetic levitation-based Martian and Lunar gravity simulator

Missions to Mars will subject living specimens to a range of low gravity environments. Deleterious biological effects of prolonged exposure to Martian gravity (0.38 g), Lunar gravity (0.17 g), and microgravity are expected, but the mechanisms involved and potential for remedies are unknown. We are proposing the development of a facility that provides a simulated Martian and Lunar gravity environment for experiments on biological systems in a well controlled laboratory setting. The magnetic adjustable gravity simulator will employ intense, inhomogeneous magnetic fields to exert magnetic body forces on a specimen that oppose the body force of gravity. By adjusting the magnetic field, it is possible to continuously adjust the total body force acting on a specimen. The simulator system considered consists of a superconducting solenoid with a room temperature bore sufficiently large to accommodate small whole organisms, cell cultures, and gravity sensitive bio-molecular solutions. It will have good optical access so that the organisms can be viewed in situ. This facility will be valuable for experimental observations and public demonstrations of systems in simulated reduced gravity. c2005 Published by Elsevier Ltd on behalf of COSPAR.

Non-NASA Center↗
DOE OSTI2024

Cell-Free Gene Expression: Methods and Applications

Cell-free gene expression (CFE) systems empower synthetic biologists to build biological molecules and processes outside of living intact cells. The foundational principle is that precise, complex biomolecular transformations can be conducted in purified enzyme or crude cell lysate systems. This concept circumvents mechanisms that have evolved to facilitate species survival, bypasses limitations on molecular transport across the cell wall, and provides a significant departure from traditional, cell-based processes that rely on microscopic cellular “reactors.” In addition, cell-free systems are inherently distributable through freeze-drying, which allows simple distribution before rehydration at the point-of-use. Furthermore, as cell-free systems are nonliving, they provide built-in safeguards for biocontainment without the constraints attendant on genetically modified organisms. These features have led to a significant increase in the development and use of CFE systems over the past two decades. Here, we discuss recent advances in CFE systems and highlight how they are transforming efforts to build cells, control genetic networks, and manufacture biobased products.

59 BASIC BIOLOGICAL SCIENCES↗