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DOE OSTI2024

Urban morphology and urban water demand: a case study in the land constrained Los Angeles region using urban growth modeling

The interactions between population growth, urban morphology, and water demand have important implications for water resources and supply in urban regions. Water use for irrigation comprises a significant fraction of urban water demand, and is potentially influenced by long-term changes in urban morphology. To investigate this, we used spatially explicit projections of urban land development intensity (fraction impervious area) generated from a 30 m resolution urban growth model for the Los Angeles (LA) region. Recent historical data on water use and high resolution landcover were used to establish relationships between green area, urban development intensity, and outdoor water demand. These relationships were then used to project outdoor and total water demand in 2100 using the urban growth model outputs. We considered two different population scenarios informed by the shared socioeconomic pathway (SSP) projections for the region (SSP3 and SSP5), and three scenarios of urban development intensification. Our analysis is resolved for over 80 water providers in the region, from the urban core to suburban fringe, and highlights diverse demand responses influenced by initial urban form and water demand attributes. Assumptions about outdoor water use factors based on recent water supply data were found to be nearly as influential on future outdoor demand as the urban growth scenario settings. Compared to previous studies, our work is unique in coherently linking high resolution SSP population scenarios, urban land cover evolution, and urban water demand projections, demonstrating the approach for the LA region—the largest population center in the western United States.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1984

Balloon-borne and aircraft infrared measurements of ethane (C2H6) in the upper troposphere and lower stratosphere

Quantitative infrared measurements of ethane (C2H6) in the upper troposphere and lower stratosphere are reported. The results have been obtained from the analysis of absorption features of the nu9 band at 12.2 microns, which have been identified in high-resolution balloon-borne and aircraft solar absorption spectra. The balloon-borne spectral data were recorded at sunset with the 0.02/cm resolution University of Denver interferometer system, from a float altitude of 33.5 km near Alamogordo, New Mexico, on March 23, 1981. The aircraft spectra were recorded at sunset in July 1978 with a 0.06/cm resolution interferometer aboard a jet aircraft at 12 km altitude, near 35 deg N, 96 deg W. The balloon analysis indicates the C2H6 mixing ratio decreased from 3.5 ppbv near 8.8 km to 0.91 ppbv near 12.1 km. The results are consistent with the column value obtained from the aircraft data.

Goldman, A.↗

NASA NTRS2013

Co-registration of Laser Altimeter Tracks with Digital Terrain Models and Applications in Planetary Science

We have derived algorithms and techniques to precisely co-register laser altimeter profiles with gridded Digital Terrain Models (DTMs), typically derived from stereo images. The algorithm consists of an initial grid search followed by a least-squares matching and yields the translation parameters at sub-pixel level needed to align the DTM and the laser profiles in 3D space. This software tool was primarily developed and tested for co-registration of laser profiles from the Lunar Orbiter Laser Altimeter (LOLA) with DTMs derived from the Lunar Reconnaissance Orbiter (LRO) Narrow Angle Camera (NAC) stereo images. Data sets can be co-registered with positional accuracy between 0.13 m and several meters depending on the pixel resolution and amount of laser shots, where rough surfaces typically result in more accurate co-registrations. Residual heights of the data sets are as small as 0.18 m. The software can be used to identify instrument misalignment, orbit errors, pointing jitter, or problems associated with reference frames being used. Also, assessments of DTM effective resolutions can be obtained. From the correct position between the two data sets, comparisons of surface morphology and roughness can be made at laser footprint- or DTM pixel-level. The precise co-registration allows us to carry out joint analysis of the data sets and ultimately to derive merged high-quality data products. Examples of matching other planetary data sets, like LOLA with LRO Wide Angle Camera (WAC) DTMs or Mars Orbiter Laser Altimeter (MOLA) with stereo models from the High Resolution Stereo Camera (HRSC) as well as Mercury Laser Altimeter (MLA) with Mercury Dual Imaging System (MDIS) are shown to demonstrate the broad science applications of the software tool.

Laser↗

NASA NTRS2000

Monitoring Global Sea Level: Eustatic Variations, Local Variations, and Solid Earth Effects

Project BIFROST (Baseline Inferences for Fennoscandian Rebound Observations. Sea-level and Tectonics) combines networks of continuously operating CPS receivers in Sweden and Finland to measure ongoing crustal deformation due to glacial isostatic adjustment, (CIA). We present an analysis of data collected in the years 1993-1998. We compare the CPS determinations of three-dimensional crustal motion to predictions calculated using the high resolution Fennoscandian deglaciation model recently proposed by Lambeck et al. We find that the the maximum observed uplift rate (approx. 10 mm/ yr) and the maximum predicted uplift rate agree to better than 1 mm/ yr. The patterns of uplift also agree quite well, although differences are discernible. The chi(exp 2) difference between predicted and GPS-observed radial rates is reduced by a factor of 5-6 compared to that for the "null" (no uplift) model, depending on whether a mean difference is first removed. The north components of velocity agree at about the same relative level. whereas the agreement for the east components is worse, a problem possibly related to the lack of bias fixing. We have also compared the values for the observed radial deformation rates to those based on sea-level rates from Baltic tide gauges. The weighted RMS difference between CPS and tide-gauge rates (after removing a mean) is 0.6 mm/ yr, giving an indication of the combined accuracy of the CPS and tide-gauge measurement systems. Spectral analysis of the time series of position estimates yields spectral indices in the range -1 to -2. An EOF analysis indicates, however, that much of this power is correlated among the sites. The correlation appears to be regional and falls off only slightly with distance. Some of this correlated noise is associated with snow accumulation on the antennas or, for those antennas with radomes, on the radomes. This problem has caused us to modify the radomes used several times, leading to one of our more significant sources of uncertainty.

Davis, James L.↗

NASA NTRS1984

LANDSAT-4 MSS and Thematic Mapper data quality and information content analysis

LANDSAT-4 thematic mapper (TM) and multispectral scanner (MSS) data were analyzed to obtain information on data quality and information content. Geometric evaluations were performed to test band-to-band registration accuracy. Thematic mapper overall system resolution was evaluated using scene objects which demonstrated sharp high contrast edge responses. Radiometric evaluation included detector relative calibration, effects of resampling, and coherent noise effects. Information content evaluation was carried out using clustering, principal components, transformed divergence separability measure, and supervised classifiers on test data. A detailed spectral class analysis (multispectral classification) was carried out to compare the information content of the MSS and TM for a large number of scene classes. A temperature-mapping experiment was carried out for a cooling pond to test the quality of thermal-band calibration. Overall TM data quality is very good. The MSS data are noisier than previous LANDSAT results.

Anuta, P.↗

NASA NTRS2001

Horizontal Temperature Variability in the Stratosphere: Global Variations Inferred from CRISTA Data

In two separate orbital campaigns (November, 1994 and August, 1997), the Cryogenic Infrared Spectrometers and Telescopes for the Atmosphere (CRISTA) instrument acquired global stratospheric data of high accuracy and high spatial resolution. The standard limb-scanned CRISTA measurements resolved atmospheric spatial structures with vertical dimensions greater than or equal to 1.5 - 2 km and horizontal dimensions is greater than or equal to 100 - 200 km. A fluctuation analysis of horizontal temperature distributions derived from these data is presented. This method is somewhat complementary to conventional power-spectral analysis techniques.

FLUCTUATION ANALYSIS↗

NASA NTRS1995

Detection and Location of Transverse Matrix Cracks in Cross-Ply Gr/Ep Composites Using Acoustic Emission

Transverse matrix cracking in cross-ply gr/ep laminates was studied with advanced acoustic emission (AE) techniques. The primary goal of this research was to measure the load required to initiate the first transverse matrix crack in cross-ply laminates of different thicknesses. Other methods had been previously used for these measurements including penetrant enhanced radiography, optical microscopy, and audible acoustic microphone measurements. The former methods required that the mechanical test be paused for measurements at load intervals. This slowed the test procedure and did not provide the required resolution in load. With acoustic microphones, acoustic signals from cracks could not be clearly differentiated from other noise sources such as grip damage, specimen slippage, or test machine noise. A second goal for this work was to use the high resolution source location accuracy of the advanced acoustic emission techniques to determine whether the crack initiation site was at the specimen edge or in the interior of the specimen.In this research, advanced AE techniques using broad band sensors, high capture rate digital waveform acquisition, and plate wave propagation based analysis were applied to cross-ply composite coupons with different numbers of 0 and 90 degree plies. Noise signals, believed to be caused by grip damage or specimen slipping, were eliminated based on their plate wave characteristics. Such signals were always located outside the sensor gage length in the gripped region of the specimen. Cracks were confirmed post-test by microscopic analysis of a polished specimen edge, backscatter ultrasonic scans, and in limited cases, by penetrant enhanced radiography. For specimens with three or more 90 degree plies together, there was an exact 1-1 correlation between AE crack signals and observed cracks. The ultrasonic scans and some destructive sectioning analysis showed that the cracks extended across the full width of the specimen. Furthermore, the locations of the cracks from the AE data were in excellent agreement with the locations measured with the microscope. The high resolution source location capability of this technique, combined with an array of sensors, was able to determine that the cracks initiated at the specimen edges, rather than in the interior. For specimens with only one or two 90 degree plies, the crack-like signals were significantly smaller in amplitude and there was not a 1-1 correlation to observed cracks. This was similar to previous results. In this case, however, ultrasonic and destructive sectioning analysis revealed that the cracks did not extend across the specimen. They initiated at the edge, but did not propagate any appreciable distance into the specimen. This explains the much smaller AE signal amplitudes and the difficulty in correlating these signals to actual cracks in this, as well as in the previous study.

Prosser, W. H.↗

NASA NTRS2000

Supporting Scientific Analysis within Collaborative Problem Solving Environments

Collaborative problem solving environments for scientists should contain the analysis tools the scientists require in addition to the remote collaboration tools used for general communication. Unfortunately, most scientific analysis tools have been designed for a "stand-alone mode" and cannot be easily modified to work well in a collaborative environment. This paper addresses the questions, "What features are desired in a scientific analysis tool contained within a collaborative environment?", "What are the tool design criteria needed to provide these features?", and "What support is required from the architecture to support these design criteria?." First, the features of scientific analysis tools that are important for effective analysis in collaborative environments are listed. Next, several design criteria for developing analysis tools that will provide these features are presented. Then requirements for the architecture to support these design criteria are listed. Sonic proposed architectures for collaborative problem solving environments are reviewed and their capabilities to support the specified design criteria are discussed. A deficiency in the most popular architecture for remote application sharing, the ITU T. 120 architecture, prevents it from supporting highly interactive, dynamic, high resolution graphics. To illustrate that the specified design criteria can provide a highly effective analysis tool within a collaborative problem solving environment, a scientific analysis tool that contains the specified design criteria has been integrated into a collaborative environment and tested for effectiveness. The tests were conducted in collaborations between remote sites in the US and between remote sites on different continents. The tests showed that the tool (a tool for the visual analysis of computer simulations of physics) was highly effective for both synchronous and asynchronous collaborative analyses. The important features provided by the tool (and made possible by the specified design criteria) are: 1. The tool provides highly interactive, dynamic, high resolution, 3D graphics. 2. All remote scientists can view the same dynamic, high resolution, 3D scenes of the analysis as the analysis is being conducted. 3. The responsiveness of the tool is nearly identical to the responsiveness of the tool in a stand-alone mode. 4. The scientists can transfer control of the analysis between themselves. 5. Any analysis session or segment of an analysis session, whether done individually or collaboratively, can be recorded and posted on the Web for other scientists or students to download and play in either a collaborative or individual mode. 6. The scientist or student who downloaded the session can, individually or collaboratively, modify or extend the session with his/her own "what if" analysis of the data and post his/her version of the analysis back onto the Web. 7. The peak network bandwidth used in the collaborative sessions is only 1K bit/second even though the scientists at all sites are viewing high resolution (1280 x 1024 pixels), dynamic, 3D scenes of the analysis. The links between the specified design criteria and these performance features are presented.

Watson, Velvin R.↗

NASA NTRS1984

Landsat-4 MSS and Thematic Mapper data quality and information content analysis

Landsat-4 Thematic Mapper and Multispectral Scanner data were analyzed to obtain information on data quality and information content. Geometric evaluations were performed to test band-to-band registration accuracy. Thematic Mapper overall system resolution was evaluated using scene objects which demonstrated sharp high contrast edge responses. Radiometric evaluation included detector relative calibration, effects of resampling, and coherent noise effects. Information content evaluation was carried out using clustering, principal components, transformed divergence separability measure, and numerous supervised classifiers on data from Iowa and Illinois. A detailed spectral class analysis (multispectral classification) was carried out on data from the Des Moines, IA area to compare the information content of the MSS and TM for a large number of scene classes.

Anuta, P. E.↗

NASA NTRS2011

SPoRT's Participation in the GOES-R Proving Ground Activity

The next generation geostationary satellite, GOES-R, will carry two new instruments with unique atmospheric and surface observing capabilities, the Advanced Baseline Imager (ABI) and the Geostationary Lightning Mapper (GLM), to study short-term weather processes. The ABI will bring enhanced multispectral observing capabilities with frequent refresh rates for regional and full disk coverage to geostationary orbit to address many existing and new forecast challenges. The GLM will, for the first time, provide the continuous monitoring of total lightning flashes over a hemispherical region from space. NOAA established the GOES-R Proving Ground activity several years ago to demonstrate the new capabilities of these instruments and to prepare forecasters for their day one use. Proving Ground partners work closely with algorithm developers and the end user community to develop and transition proxy data sets representing GOES-R observing capabilities. This close collaboration helps to maximize refine algorithms leading to the delivery of a product that effectively address a forecast challenge. The NASA Short-term Prediction Research and Transition (SPoRT) program has been a participant in the NOAA GOES-R Proving Ground activity by developing and disseminating selected GOES-R proxy products to collaborating WFOs and National Centers. Established in 2002 to demonstrate the weather and forecasting application of real-time EOS measurements, the SPoRT program has grown to be an end-to-end research to operations activity focused on the use of advanced NASA modeling and data assimilation approaches, nowcasting techniques, and unique high-resolution multispectral data from EOS satellites to improve short-term weather forecasts on a regional and local scale. Participation in the Proving Ground activities extends SPoRT s activities and taps its experience and expertise in diagnostic weather analysis, short-term weather forecasting, and the transition of research and experimental data to operational decision support systems like NAWIPS, AWIPS, AWIPS2, and Google Earth. Recent SPoRT Proving Ground activities supporting the development and use of a pseudo GLM total lightning product and the transition of the AWG s Convective Initiation (CI) product, both of which were available in AWIPS and AWIPS II environments, by forecasters during the Hazardous Weather Testbed (HWT) Spring Experiment. SPoRT is also providing a suite of SEVIRI and MODIS RGB image products, and a high resolution composite SST product to several National Centers for use in there ongoing demonstration activities. Additionally, SPoRT has involved numerous WFOs in the evaluation of a GOES-MODIS hybrid product which brings ABI-like data sets in front of the forecaster for everyday use. An overview of this activity will be presented at the conference.

Jedlovec, Gary↗

NASA NTRSDate not supplied

Aeroacoustic Computations of a Transonic Truss-Braced Wing Aircraft: Part 2 – Acoustic Signature and Noise Source Identification

High-fidelity, time-dependent simulations of a Boeing-designed, transonic, truss-braced-wing aircraft in cruise (clean) and landing configurations are leveraged to generate synthetic microphone-phased-array data for airframe noise prediction and assessment. These data sets are used to compute source localization (beamform) maps to determine the location and strength of primary and secondary airframe noise sources associated with this unique configuration. The synthetic phased-array implementation mimics the setup of a flight test. As this study is ongoing, preliminary integrated far-field spectra for the cruise configuration obtained at multiple spatial resolutions revealed significant tonal content that lacked convergence with increased resolution. The origin of several of these tones and their unusual convergence behavior was traced to the larger-than-normal trailing-edge thickness of the “as-tested” cruise model being simulated. Reducing the trailing-edge thickness to more realistic values eliminated most of the tones at low to moderate frequencies and improved spectrum convergence significantly. Applying lessons learned from the cruise simulations, several modifications to the geometry of the landing configuration were made and are described in this work. Results from permeable and solid Ffowcs-Williams and Hawkings surfaces at two different spatial resolutions (coarse and medium) are used to illustrate the major noise sources and determine convergence of the CLEAN integrated noise levels for the entire aircraft as well as major subcomponents. We demonstrate that the low-frequency content of the far-field spectrum is dominated by noise generated from the main landing gear, while the medium- and high-frequency content is dominated by the wing-leading-edge Krueger flaps. Since analysis of the acoustic maps for the landing configuration revealed several clusters of multiple sources along the wing leading edge, “high resolution” processing of the array data was used to distinguish more accurately the locations of sources.

Transonic Truss-Braced Wing↗

NASA NTRS1992

High-resolution measurements and analysis of (N-14)(O-16)2 in the (001)-(000) and (011)-(010) bands

High-resolution spectra of NO2 were recorded with a Fourier-transform spectrometer, covering transitions in the (001)-(000) and (011)-(010) bands from 1540 to 1662/cm. The measured line frequencies were used with additional data taken from studies at microwave and far-IR frequencies in an analysis to obtain spin-rotation constants and rotational energies of levels in the (001) and (011) states. Line strengths of these two bands were also measured and analyzed. The analyses included spin-rotation levels of the (001) state for Ka up to and including 13 and N to 73 and those of the (001) state for Ka up to and including 7 and N to 55. The study included observed and enhanced Ka = 5 - 6 transitions in the (020)-(000) band that interact, by means of a Coriolis-type interaction, with Ka = 5 transitions in the (011)-(000) band. Also observed and analyzed were the results of spin-rotation resonance interactions between two levels of the same state. These perturbations affected one or more levels of a given Ka and state and were observed for Ka = 0 with Ka = 2 and Ka = 1 with Ka = 3 for the (001) and (000) states and for Ka = 0 with Ka = 2 for the (011) and (001) states.

Toth, Robert A.↗

NASA NTRS2006

International Space Station Increment-6/8 Microgravity Environment Summary Report November 2002 to April 2004

This summary report presents the analysis results of some of the processed acceleration data measured aboard the International Space Station during the period of November 2002 to April 2004. Two accelerometer systems were used to measure the acceleration levels for the activities that took place during Increment-6/8. However, not all of the activities during that period were analyzed in order to keep the size of the report manageable. The National Aeronautics and Space Administration sponsors the Microgravity Acceleration Measurement System and the Space Acceleration Measurement System to support microgravity science experiments that require microgravity acceleration measurements. On April 19, 2001, both the Microgravity Acceleration Measurement System and the Space Acceleration Measurement System units were launched on STS-100 from the Kennedy Space Center for installation on the International Space Station. The Microgravity Acceleration Measurement System unit was flown to the station in support of science experiments requiring quasi-steady acceleration measurements, while the Space Acceleration Measurement System unit was flown to support experiments requiring vibratory acceleration measurement. Both acceleration systems are also used in support of the vehicle microgravity requirements verification as well as in support of the International Space Station support cadre. The International Space Station Increment-6/8 reduced gravity environment analysis presented in this report uses acceleration data collected by both sets of accelerometer systems: 1. The Microgravity Acceleration Measurement System, which consists of two sensors: the Orbital Acceleration Research Experiment Sensor Subsystem, a low frequency range sensor (up to 1 Hz), is used to characterize the quasi-steady environment for payloads and vehicle, and the High Resolution Accelerometer Package, which is used to characterize the vibratory environment up to 100 Hz. 2. The Space Acceleration Measurement System measures vibratory acceleration data in the range of 0.01 to 400 Hz. This summary report presents analysis of some selected quasi-steady and vibratory activities measured by these accelerometers during Increment-6/8 from November 2002 to April 2004.

Jules, Kenol↗

NASA NTRSDate not supplied

Utilizing Earth Observations to Understand Landscape Patterns and Assist in Wildlife Management in Iona National Park, Angola

Following the end of the Angolan Civil War (1975-2002), human habitation in Iona National Park has grown exponentially, as has the livestock population. An ongoing drought beginning in 2017 has brought people, livestock, and wildlife into increasing competition for resources within the park. This study used Earth observation data, primarily Landsat and Sentinel imagery, to examine landscape trends to improve wildlife preservation approaches in Iona National Park, Angola. In collaboration with the NGO African Parks, we developed a robust land use and land cover (LULC) classification model using remote sensing data to augment sparse ground-based data in this arid land region. We used Google Earth Engine and a random forest classifier to map vegetation types, water bodies, and potential wildlife habitats. This analysis resulted in a high spatial resolution LULC time-series between 1984-2023, highlighting critical periods of socioecological change over the past 40 years. These results increased the partner’s ability to make scientifically grounded decisions about resource allocation and conservation priorities. This analysis supports the feasibility of applying remote sensing techniques coupled with machine learning models in dry regions, where standard survey methods are frequently limited by accessibility and resource availability. However, we identified limitations in ground-truth data and the difficulty of recognizing certain vegetation types in arid areas. Despite these limitations, the study demonstrated Earth observations' ability to transform wildlife management techniques in distant and data-scarce locations, providing a reproducible foundation for similar ecosystems around the world.

Emmanuel Aklie↗

DOE OSTI2020

Mapping of Benthic Habitats at Marine Renewable Energy Sites Using Multibeam Echosounder and Sediment Profile Imaging Technologies

Objectives/Scope: The goal of this work was to develop a consistent and semi-automated seafloor survey method for generating high-resolution, benthic habitat maps for environmental assessments and monitoring of marine renewable energy sites. Sediment profile and plan view imaging (SPI/PV) technology was combined with multibeam bathymetry and acoustic backscatter methods to demonstrate a rapid, cost-effective benthic mapping protocol. A key technical innovation of this project was the development of an image processing platform that automatically measures key features from the images. Methods: Multibeam echosounder (MBES) acoustic and SPI/PV surveys were conducted at three coastal areas off the U.S. west coast, including the PacWave South energy test site off of Newport, Oregon. Point data on physical and biological sediment conditions obtained from the SPI/PV imagery were used to efficiently ground-truth the high-resolution MBES bathymetry and backscatter mosaics. The SPI camera is an optical corer that obtains an undisturbed 21 by 15 cm, high-resolution, cross-sectional image of the sediment–water interface and upper sediment column. The plan view camera attached to the SPI camera frame captures a downward looking view of the seabed immediately before the SPI image is obtained. As part of this project, we developed a computer vision image processing platform (iSPI) that uses deep convolutional neural networks and other approaches to automatically identify and measure key features in the images, such as grain size and surface relief. Results: Detailed benthic habitat maps were generated using this mapping approach for three different marine settings. The sites mapped included a silt-dominated embayment; a sloping, nearshore, transitional very fine to coarse sand bottom; and a medium, sand-dominated continental shelf marine energy test site. In each case, acoustic and imaging surveys were completed in less than week, and detailed benthic habitat maps were generated within 60 days. The results were placed within the Coastal and Marine Ecological Classification Standard (CMECS) habitat mapping framework, and various combinations of the bathymetry, backscatter, and SPI and PV data were used to generate CMECS component maps. Novel Information: This project developed and demonstrated a repeatable and cost-effective approach for efficiently mapping benthic habitat conditions over broad areas of the seafloor by combining state-of-the-art acoustic and imaging techniques. The primary survey tools used in this project have been used previously in both the offshore renewable (wind) and oil and gas sectors to map and monitor benthic environments. This project’s innovations include 1) the focused use of high-resolution SPI/PV imagery to ground-truth acoustic mosaics, and 2) the development of a computer automated image analysis processing tool that both streamlines and standardizes the generation of data from the imagery and makes the data extraction process more cost-effective and repeatable.

13 HYDRO ENERGY↗

DOE OSTI2020

Sparse Matrix-Based HPC Tomography

Tomographic imaging has benefited from advances in X-ray sources, detectors and optics to enable novel observations in science, engineering and medicine. These advances have come with a dramatic increase of input data in the form of faster frame rates, larger fields of view or higher resolution, so high performance solutions are currently widely used for analysis. Tomographic instruments can vary significantly from one to another, including the hardware employed for reconstruction: from single CPU workstations to large scale hybrid CPU/GPU supercomputers. Furthermore, flexibility on the software interfaces and reconstruction engines are also highly valued to allow for easy development and prototyping. This paper presents a novel software framework for tomographic analysis that tackles all aforementioned requirements. The proposed solution capitalizes on the increased performance of sparse matrix-vector multiplication and exploits multi-CPU and GPU reconstruction over MPI. Furthermore, the solution is implemented in Python and relies on CuPy for fast GPU operators and CUDA kernel integration, and on SciPy for CPU sparse matrix computation. As opposed to previous tomography solutions that are tailor-made for specific use cases or hardware, the proposed software is designed to provide flexible, portable and high-performance operators that can be used for continuous integration at different production environments, but also for prototyping new experimental settings or for algorithmic development. The experimental results demonstrate how our implementation can even outperform state-of-the-art software packages used at advanced X-ray sources worldwide.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Mutations in penicillin-binding protein 2 from cephalosporin-resistant Neisseria gonorrhoeae hinder ceftriaxone acylation by restricting protein dynamics

The global incidence of the sexually transmitted disease gonorrhea is expected to rise due to the spread of Neisseria gonorrhoeae strains with decreased susceptibility to extended-spectrum cephalosporins (ESCs). ESC resistance is conferred by mosaic variants of penicillin-binding protein 2 (PBP2) that have diminished capacity to form acylated adducts with cephalosporins. To elucidate the molecular mechanisms of ESC resistance, we conducted a biochemical and high-resolution structural analysis of PBP2 variants derived from the decreased-susceptibility N. gonorrhoeae strain 35/02 and ESC-resistant strain H041. Our data reveal that mutations both lower affinity of PBP2 for ceftriaxone and restrict conformational changes that normally accompany acylation. Specifically, we observe that a G545S substitution hinders rotation of the β3 strand necessary to form the oxyanion hole for acylation and also traps ceftriaxone in a noncanonical configuration. In addition, F504L and N512Y substitutions appear to prevent bending of the β3–β4 loop that is required to contact the R1 group of ceftriaxone in the active site. Other mutations also appear to act by reducing flexibility in the protein. Overall, our findings reveal that restriction of protein dynamics in PBP2 underpins the ESC resistance of N. gonorrhoeae.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1976

High resolution radiometric measurements of convective storms during the GATE experiment

Using passive microwave data from the NASA CV-990 aircraft and radar data collected during the Global Atmospheric Research Program Atlantic Tropical Experiment (GATE), an empirical model was developed relating brightness temperatures sensed at 19.35 GHz to surface rainfall rates. This model agreed well with theoretical computations of the relationship between microwave radiation and precipitation in the tropics. The GATE aircraft microwave data was then used to determine the detailed structure of convective systems. The high spatial resolution of the data permitted identification of individual cells which retained unique identities throughout their lifetimes in larger cloud masses and allowed analysis of the effects of cloud merger.

Fowler, G.↗