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Deblurring

In most instances, traditional EEG methodology provides insufficient spatial detail to identify relationships between brain electrical events and structures and functions visualized by magnetic resonance imaging or positron emission tomography. This article describes a method called Deblurring for increasing the spatial detail of the EEG and for fusing neurophysiologic and neuroanatomic data. Deblurring estimates potentials near the outer convexity of the cortex using a realistic finite element model of the structure of a subject's head determined from their magnetic resonance images. Deblurring is not a source localization technique and thus makes no assumptions about the number or type of generator sources. The validity of Deblurring has been initially tested by comparing deblurred data with potentials measured with subdural grid recordings. Results suggest that deblurred topographic maps, registered with a subject's magnetic resonance imaging and rendered in three dimensions, provide better spatial detail than has heretofore been obtained with scalp EEG recordings. Example results are presented from research studies of somatosensory stimulation, movement, language, attention and working memory. Deblurred ictal EEG data are also presented, indicating that this technique may have future clinical application as an aid to seizure localization and surgical planning.

Non-NASA Center↗

Magellan Final Science Reports

This volume is a brief summary of the scientific results of the Magellan Venus mapping mission as reported by the Magellan science investigators. Magellan has exceeded all of its mission objectives by obtaining high resolution radar images, surface elevation, and radiometry for more than 98% of the planet. The amount of stereo data gathered on Venus is more than that available for any other planet. Magellan's fourth cycle collected gravity data from an elliptical orbit to provide information on the relationships between surface features and the interior of the planet. With the successful completion of the aerobraking experiment, the spacecraft, in its lower orbit around Venus, has captured high resolution gravity near the poles from the nearly circular orbit. Every attempt has been made to provide useful documentation for the complete Magellan data set. Magellan data have been released to the public through the Planetary Data System (PDS) and the National Space Science Data Center (NSSDC) in photographs, lithos, brochures, digital form, and compact discs. With the release of Magellan data on the compact disc read-only-memory (CD-ROM) a revolutionary new way of doing science has resulted. This technology provides a way to store, distribute and access large volumes of data. The Magellan science investigators have utilized this wealth of data to provide answers to questions we have been asking for a long time. I would like to personally thank everyone on the Magellan team for the success of this important mission, a mission that has revealed information that will help us to better understand our own Planet Earth.

Thompson, Thomas W.↗

Algorithms for High-Speed Noninvasive Eye-Tracking System

Two image-data-processing algorithms are essential to the successful operation of a system of electronic hardware and software that noninvasively tracks the direction of a person s gaze in real time. The system was described in High-Speed Noninvasive Eye-Tracking System (NPO-30700) NASA Tech Briefs, Vol. 31, No. 8 (August 2007), page 51. To recapitulate from the cited article: Like prior commercial noninvasive eyetracking systems, this system is based on (1) illumination of an eye by a low-power infrared light-emitting diode (LED); (2) acquisition of video images of the pupil, iris, and cornea in the reflected infrared light; (3) digitization of the images; and (4) processing the digital image data to determine the direction of gaze from the centroids of the pupil and cornea in the images. Most of the prior commercial noninvasive eyetracking systems rely on standard video cameras, which operate at frame rates of about 30 Hz. Such systems are limited to slow, full-frame operation. The video camera in the present system includes a charge-coupled-device (CCD) image detector plus electronic circuitry capable of implementing an advanced control scheme that effects readout from a small region of interest (ROI), or subwindow, of the full image. Inasmuch as the image features of interest (the cornea and pupil) typically occupy a small part of the camera frame, this ROI capability can be exploited to determine the direction of gaze at a high frame rate by reading out from the ROI that contains the cornea and pupil (but not from the rest of the image) repeatedly. One of the present algorithms exploits the ROI capability. The algorithm takes horizontal row slices and takes advantage of the symmetry of the pupil and cornea circles and of the gray-scale contrasts of the pupil and cornea with respect to other parts of the eye. The algorithm determines which horizontal image slices contain the pupil and cornea, and, on each valid slice, the end coordinates of the pupil and cornea. Information from multiple slices is then combined to robustly locate the centroids of the pupil and cornea images. The other of the two present algorithms is a modified version of an older algorithm for estimating the direction of gaze from the centroids of the pupil and cornea. The modification lies in the use of the coordinates of the centroids, rather than differences between the coordinates of the centroids, in a gaze-mapping equation. The equation locates a gaze point, defined as the intersection of the gaze axis with a surface of interest, which is typically a computer display screen (see figure). The expected advantage of the modification is to make the gaze computation less dependent on some simplifying assumptions that are sometimes not accurate

Talukder, Ashit↗

Model morphing and sequence assignment after molecular replacement

A procedure for model building is described that combines morphing a model to match a density map, trimming the morphed model and aligning the model to a sequence. A procedure termed ‘morphing’ for improving a model after it has been placed in the crystallographic cell by molecular replacement has recently been developed. Morphing consists of applying a smooth deformation to a model to make it match an electron-density map more closely. Morphing does not change the identities of the residues in the chain, only their coordinates. Consequently, if the true structure differs from the working model by containing different residues, these differences cannot be corrected by morphing. Here, a procedure that helps to address this limitation is described. The goal of the procedure is to obtain a relatively complete model that has accurate main-chain atomic positions and residues that are correctly assigned to the sequence. Residues in a morphed model that do not match the electron-density map are removed. Each segment of the resulting trimmed morphed model is then assigned to the sequence of the molecule using information about the connectivity of the chains from the working model and from connections that can be identified from the electron-density map. The procedure was tested by application to a recently determined structure at a resolution of 3.2 Å and was found to increase the number of correctly identified residues in this structure from the 88 obtained using phenix.resolve sequence assignment alone (Terwilliger, 2003 ▶) to 247 of a possible 359. Additionally, the procedure was tested by application to a series of templates with sequence identities to a target structure ranging between 7 and 36%. The mean fraction of correctly identified residues in these cases was increased from 33% using phenix.resolve sequence assignment to 47% using the current procedure. The procedure is simple to apply and is available in the Phenix software package.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Multimode two-dimensional vibronic spectroscopy. II. Simulating and extracting vibronic coupling parameters from polarization-selective spectra

We report experimental demonstrations of polarization-selection two-dimensional Vibrational-Electronic (2D VE) and 2D Electronic-Vibrational (2D EV) spectroscopies aim to map the magnitudes and spatial orientations of coupled electronic and vibrational coordinates in complex systems. The realization of that goal depends on our ability to connect spectroscopic observables with molecular structural parameters. In this paper, we use a model Hamiltonian consisting of two anharmonically coupled vibrational modes in electronic ground and excited states with linear and bilinear vibronic coupling terms to simulate polarization-selective 2D EV and 2D VE spectra. We discuss the relationships between the linear vibronic coupling and two-dimensional Huang–Rhys parameters and between the bilinear vibronic coupling term and Duschinsky mixing. We develop a description of the vibronic transition dipoles and explore how the Hamiltonian parameters and non-Condon effects impact their amplitudes and orientations. Using simulated polarization-selective 2D EV and 2D VE spectra, we show how 2D peak positions, amplitudes, and anisotropy can be used to measure parameters of the vibronic Hamiltonian and non-Condon effects. This paper, along with the first in the series, provides the reader with a detailed description of reading, simulating, and analyzing multimode, polarization-selective 2D EV and 2D VE spectra with an emphasis on extracting vibronic coupling parameters from complex spectra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Postprocessing for the UCLA climate model

Postprocessing programs written to analyze the results of a general circulation model are described. The model history data is interpolated to pressure surfaces, converted from 64-bit Cyber words to 32 bit IBM words, and transferred to tape for further analysis. The time average program reads the interpolation output tape and produces 15-day time averages. The model outputs a very detailed record for selected grid points. This data is sent to a tape in Cyber full words. The conversion program changes the format of the tape from 64 bit Cyber words to 32 bit IBM words, processing a month of data at a time. The grid-point history sorting program inputs the converted grid point history tape and sorts it by time. The end product is a tape with a time history of each field for every point. After the PBP data has been stored, it can be plotted. The plotting package is flexible, and allows the choice of fields and grid points. The one-dimensional fields are plotted as functions of time, and a daily summary is also produced. For the two-dimensional fields, time-height cross sections and daily summaries are produced. The model plotting package produces plots for all fields on the time average and pressure tapes. These plots include world maps, polar projections, zonal means, vectors, streamlines, and latitude-height plots.

Abeles, J.↗

EPRI Demonstration of an Autonomous Site Characterization Vehicle - 20523

A substantial effort is applied in performing radiological characterization of structures and land areas during decommissioning of a nuclear facility. This includes multiple surveys of land areas and large structures to support eventual site release under the Multi Agency Survey and Site Investigation Manual (MARSSIM, Reference 1). These surveys are typically performed using manually delivered systems, which is time consuming and labor intensive. Radiological surveys intentionally follow a prescribed protocol with respect to areas covered, scan speeds, responses to elevated readings, required detector offsets, the need for repeat measurements, etc. Based on these attributes, combined with the repetitive effort of performing surveys over large areas, automation of radiological characterization techniques has a high potential to be successful and promises substantial benefit. EPRI has performed a project that resulted in the development and demonstration of an autonomous site characterization system. This EPRI project focused on building surfaces and the surfaces of large land areas as these configurations lend themselves more readily to automated survey. The project included: - Identification of the requirements for an autonomous site characterization system; - A survey of existing control systems that use automation to conduct characterization of structures and land areas. - As no fully adequate systems were identified, a complete system was developed that utilized commercially available detection and analysis systems and a self driving vehicle owned by EPRI. The system was demonstrated at the Kewaunee nuclear power plant site in the fall of 2019. The demonstration included: - Autonomous surveys of floor areas inside the Auxiliary Building at Kewaunee after manually controlled mapping of the survey areas. - For land areas, the vehicle autonomously surveyed areas using travel paths had been preprogrammed onto an internet available map of area. In this case, GPS coordinates from the preprogramming were used for navigation by the vehicles guidance system. This paper summarizes the characterization system development and system demonstration which will also be published in an EPRI report in the first half of 2020. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Brighter-fatter Effect in Near-infrared Detectors—III. Fourier-domain Treatment of Flat Field Correlations and Application to WFIRST

Weak gravitational lensing has emerged as a leading probe of the growth of cosmic structure. However, the shear signal is very small and accurate measurement depends critically on our ability to understand how non-ideal instrumental effects affect astronomical images. The Wide-Field Infrared Survey Telescope (WFIRST) will fly a focal plane containing 18 Teledyne H4RG-10 near-infrared detector arrays, which present different instrument calibration challenges from previous weak lensing observations. Previous work [Paper I: Hirata & Choi, PASP, 132, 014501 (2020); and Paper II: Choi & Hirata, PASP, 132, 014502 (2020)] has shown that correlation functions of flat field images, including cross-correlations between different time slices that are enabled by the non-destructive read capability of the infrared detectors, are effective tools for disentangling linear and nonlinear inter-pixel capacitance (IPC) and the brighter-fatter effect (BFE). Here we present a Fourier-domain treatment of the flat field correlations, which allows us to expand the previous formalism to all orders in IPC, BFE, and classical nonlinearity. We show that biases in simulated flat field analyses in Paper I are greatly reduced through the use of this formalism. We then apply this updated formalism to flat field data from three WFIRST flight candidate detectors, and explore the robustness to variations in the analysis. We find that the BFE is present in all three detectors, and that its contribution to the flat field correlations dominates over the nonlinear IPC, in accordance with the results from Paper II on a development detector. The magnitude of the BFE is such that the effective area of a pixel is increased by (3.54 ± 0.03) × 10 -7 for every electron deposited in a neighboring pixel (sensor chip assembly [SCA] 20829, statistical error, not IPC-deconvolved). We compare IPC maps from flat field autocorrelation measurements to those obtained from the single pixel reset method and find a median difference of 0.113% for SCA 20829. After further diagnosis of this difference, we ascribe it largely to an additional source of cross-talk, the vertical trailing pixel effect, and recommend further work to develop a model for this effect. These results represent a significant step toward calibration of the non-ideal effects in WFIRST detectors.

79 ASTRONOMY AND ASTROPHYSICS↗

Observations of pressure anisotropy effects within semi-collisional magnetized plasma bubbles

Magnetized plasma interactions are ubiquitous in astrophysical and laboratory plasmas. Various physical effects have been shown to be important within colliding plasma flows influenced by opposing magnetic fields, however, experimental verification of the mechanisms within the interaction region has remained elusive. Here we discuss a laser-plasma experiment whereby experimental results verify that Biermann battery generated magnetic fields are advected by Nernst flows and anisotropic pressure effects dominate these flows in a reconnection region. These fields are mapped using time-resolved proton probing in multiple directions. Various experimental, modelling and analytical techniques demonstrate the importance of anisotropic pressure in semi-collisional, high- β plasmas, causing a reduction in the magnitude of the reconnecting fields when compared to resistive processes. Anisotropic pressure dynamics are crucial in collisionless plasmas, but are often neglected in collisional plasmas. We show pressure anisotropy to be essential in maintaining the interaction layer, redistributing magnetic fields even for semi-collisional, high energy density physics (HEDP) regimes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

JWST NIRCam Defocused Imaging Photometric Stability Performance and How It Can Sense Mirror Tilts

We use JWST NIRCam short-wavelength photometry to capture a transit lightcurve of the exoplanet HAT-P-14 b to assess performance as part of instrument commissioning. The short-wavelength precision is 152 ppm per 27 s integration as measured over the full time series compared to a theoretical limit of 107 ppm, after corrections to spatially correlated 1/f noise. Persistence effects from charge trapping are well fit by an exponential function with short characteristic timescales, settling on the order of 5–15 minutes. The short-wavelength defocused photometry is also uniquely well suited to measure the real-time wave-front error of JWST. Analysis of the images and reconstructed wave-front maps indicates that two different hexagonal primary mirror segments exhibited “tilt events,” where they changed orientation rapidly in less than ∼1.4 s. In some cases, the magnitude and timing of the flux jumps caused by tilt events can be accurately predicted with a telescope model. These tilt events can be sensed by simultaneous longer-wavelength NIRCam grism spectral images alone in the form of changes to the point-spread function, diagnosed from the full width at half maximum. They can also be sensed with the fine guidance sensor instrument from difference images. Tilt events possibly from sudden releases of stress in the backplane structure behind the mirrors were expected during the commissioning period because they were found in ground-based testing. Tilt events have shown signs of decreasing in frequency but have not disappeared completely. The detectors exhibit some minor (less than 1%) deviations from linear behavior in the first few groups of each integration, potentially impacting absolute fluxes and transit depths on bright targets, where only a handful of groups are possible. Overall, the noise is within 50% of the theoretical photon noise and read noise. This bodes well for high-precision measurements of transiting exoplanets and other time variable targets.

Everett Schlawin↗

Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix

Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful methods to determine three-dimensional macromolecular structures, which are required to understand biological processes and to develop new therapeutics against diseases. The overall structure-solution workflow is similar for these techniques, but nuances exist because the properties of the reduced experimental data are different. Software tools for structure determination should therefore be tailored for each method. Phenix is a comprehensive software package for macromolecular structure determination that handles data from any of these techniques. Tasks performed with Phenix include data-quality assessment, map improvement, model building, the validation/rebuilding/refinement cycle and deposition. Each tool caters to the type of experimental data. The design of Phenix emphasizes the automation of procedures, where possible, to minimize repetitive and time-consuming manual tasks, while default parameters are chosen to encourage best practice. A graphical user interface provides access to many command-line features of Phenix and streamlines the transition between programs, project tracking and re-running of previous tasks.

59 BASIC BIOLOGICAL SCIENCES↗

On the feasibility of comprehensive high-resolution 3D remote dosimetry

Purpose: This study investigates the feasibility of remote high-resolution 3D dosimetry with the PRESAGE®/Optical-CT system. In remote dosimetry, dosimeters are shipped out from a central base institution to a remote institution for irradiation, then shipped back to the base institution for subsequent readout and analysis. Methods: Two nominally identical optical-CT scanners for 3D dosimetry were constructed and placed at the base (Duke University) and remote (Radiological Physics Center) institutions. Two formulations of PRESAGE® (SS1, SS2) radiochromic dosimeters were investigated. Higher sensitivity was expected in SS1, which had higher initiator content (0.25% bromotrichloromethane), while greater temporal stability was expected in SS2. Four unirradiated PRESAGE® dosimeters (two per formulation, cylindrical dimensions 11 cm diameter, 8.5–9.5 cm length) were imaged at the base institution, then shipped to the remote institution for planning and irradiation. Each dosimeter was irradiated with the same simple treatment plan: an isocentric 3-field “cross” arrangement of 4 × 4 cm open 6 MV beams configured as parallel opposed laterals with an anterior beam. This simple plan was amenable to accurate and repeatable setup, as well as accurate dose modeling by a commissioned treatment planning system (Pinnacle). After irradiation and subsequent (within 1 h) optical-CT readout at the remote institution, the dosimeters were shipped back to the base institution for remote dosimetry readout 3 days postirradiation. Measured on-site and remote relative 3D dose distributions were registered to the Pinnacle dose calculation, which served as the reference distribution for 3D gamma calculations with passing criteria of 5%/2 mm, 3%/3 mm, and 3%/2 mm with a 10% dose threshold. Gamma passing rates, dose profiles, and color-maps were all used to assess and compare the performance of both PRESAGE® formulations for remote dosimetry. Results: The best agreements between the Pinnacle plan and dosimeter readout were observed in PRESAGE® formulation SS2. Under 3%/3 mm 3D gamma passing criteria, passing rates were 91.5% ± 3.6% (SS1) and 97.4% ± 2.2% (SS2) for immediate on-site dosimetry, 96.7% ± 2.4% (SS1) and 97.6% ± 0.6% (SS2) for remote dosimetry. These passing rates are well within TG119 recommendations (88%–90% passing). Under the more stringent criteria of 3%/2 mm, there is a pronounced difference [8.0 percentage points (pp)] between SS1 formulation passing rates for immediate and remote dosimetry while the SS2 formulation maintains both higher passing rates and consistency between immediate and remote results (differences ≤ 1.2 pp) at all metrics. Both PRESAGE® formulations under study maintained high linearity of dose response (R{sup 2} > 0.996) for 1–8 Gy over 14 days with response slope consistency within 4.9% (SS1) and 6.6% (SS2), and a relative dose distribution that remained stable over time was demonstrated in the SS2 dosimeters. Conclusions: Remote 3D dosimetry was shown to be feasible with a PRESAGE® dosimeter formulation (SS2) that exhibited relative temporal stability and high accuracy when read off-site 3 days postirradiation. Characterization of the SS2 dose response demonstrated linearity (R{sup 2} > 0.998) over 14 days and suggests accurate readout over longer periods of time would be possible. This result provides a foundation for future investigations using remote dosimetry to study the accuracy of advanced radiation treatments. Further work is planned to characterize dosimeter reproducibility and dose response over longer periods of time.

60 APPLIED LIFE SCIENCES↗

Laboratory earthquake forecasting: A machine learning competition

Earthquake prediction, the long-sought holy grail of earthquake science, continues to confound Earth scientists. Could we make advances by crowdsourcing, drawing from the vast knowledge and creativity of the machine learning (ML) community? We used Google’s ML competition platform, Kaggle, to engage the worldwide ML community with a competition to develop and improve data analysis approaches on a forecasting problem that uses laboratory earthquake data. The competitors were tasked with predicting the time remaining before the next earthquake of successive laboratory quake events, based on only a small portion of the laboratory seismic data. The more than 4,500 participating teams created and shared more than 400 computer programs in openly accessible notebooks. Complementing the now well-known features of seismic data that map to fault criticality in the laboratory, the winning teams employed unexpected strategies based on rescaling failure times as a fraction of the seismic cycle and comparing input distribution of training and testing data. In addition to yielding scientific insights into fault processes in the laboratory and their relation with the evolution of the statistical properties of the associated seismic data, the competition serves as a pedagogical tool for teaching ML in geophysics. The approach may provide a model for other competitions in geosciences or other domains of study to help engage the ML community on problems of significance.

58 GEOSCIENCES↗

Computational study of inertial migration of prolate particles in a straight rectangular channel

Inertial migration of spherical particles has been investigated extensively using experiments, theory, and computational modeling. Yet, a systematic investigation of the effect of particle shape on inertial migration is still lacking. Herein, we numerically mapped the migration dynamics of a prolate particle in a straight rectangular microchannel using smoothed particle hydrodynamics at moderate Reynolds number flows. After validation, we applied our model to 2:1 and 3:1 shape aspect ratio particles at multiple confinement ratios. Their effects on the final focusing position, rotational behavior, and transitional dynamics were studied. In addition to the commonly reported tumbling motion, for the first time, we identified a new logrolling behavior of a prolate ellipsoidal particle in the confined channel. This new behavior occurs when the confinement ratio is above an approximate threshold value of K = 0.72. Our microfluidic experiments using cell aggregates with similar shape aspect ratio and confinement ratio confirmed this new predicted logrolling motion. In this study, we also found that the same particle can undergo different rotational modes, including kayaking behavior, depending on its initial cross-sectional position and orientation. Furthermore, we examined the migration speed, angular velocity, and rotation period as well as their dependence on both particle shape aspect ratio and confinement ratio. Our findings are especially relevant to the applications where particle shape and alignment are used for sorting and analysis, such as the use of barcoded particles for biochemical assays through optical reading, or the shape-based enrichment of microalgae, bacteria, and chromosomes.

42 ENGINEERING↗

Automated protein crystal growth facility

A customer for the protein crystal growth facility fills the specially designed chamber with the correct solutions, fills the syringes with their quenching solutions, and submits the data needed for the proper growth of their crystal. To make sure that the chambers and syringes are filled correctly, a NASA representative may assist the customer. The data needed is the approximate growth time, the growth temperature, and the desired crystal size, but this data can be changed anytime from the ground, if needed. The chambers are gathered and placed into numbered slots in special drawers. Then, data is entered into a computer for each of the chambers. Technicians map out when each chamber's growth should be activated so that all of the chambers have enough time to grow. All of this data is up-linked to the space station when the previous growth session is over. Anti-vibrational containers need to be constructed for the high forces encountered during the lift off and the landing of the space shuttle, and though our team has not designed these containers, we do not feel that there is any reason why a suitable one could not be made. When the shuttle reaches the space station, an astronaut removes a drawer of quenched chambers from the growth facility and inserts a drawer of new chambers. All twelve of the drawers can be replaced in this fashion. The optical disks can also be removed this way. The old drawers are stored for the trip back to earth. Once inside the growth facility, a chamber is removed by the robot and placed in one of 144 active sites at a time previously picked by a technician. Growth begins when the chamber is inserted into an active site. Then, the sensing system starts to determine the size of the protein crystal. All during the crystal's growth, the customer can view the crystal and read all of the crystal's data, such as growth rate and crystal size. When the sensing system determines that the crystal has reached the predetermined size, the robot is told to pick up a syringe filled with the correct quenchant solution and inject it into the chamber to stop the crystal growth. The chamber is then removed from the active site and placed into its original storage slot. Another chamber is then placed into the active site and the process is repeated in all of the active sites until all of the chambers have complted their growth. After ninety days (the scheduled time between shuttle visits), the crystal growth is completed, and the old drawers are replaced with new ones. Once the customer extracts the crystals, the chambers are retrieved for future customers.

Donald, Stacey↗

Early results from the Far Infrared Absolute Spectrophotometer (FIRAS)

The Far Infrared Absolute Spectrophotometer (FIRAS) on the Cosmic Background Explorer (COBE) mapped 98 percent of the sky, 60 percent of it twice, before the liquid helium coolant was exhausted. The FIRAS covers the frequency region from 1 to 100/cm with a 7 deg angular resolution. The spectral resolution is 0.2/cm for frequencies less than 20/cm and 0.8/cm for higher frequencies. Preliminary results include: a limit on the deviations from a Planck curve of 1 percent of the peak brightness from 1 to 20/cm, a temperature of 2.735 +/- 0.06 K, a limit on the Comptonization parameter y of 0.001, on the chemical potential parameter mu of 0.01, a strong limit on the existence of a hot smooth intergalactic medium, and a confirmation that the dipole anisotropy spectrum is that of a Doppler shifted blackbody.

Mather, J. C.↗

Mapping the body’s battle with Ebola and Zika

The viruses that cause Ebola and Zika, daunting diseases that inspire concern at every outbreak, share a strong similarity in how they first infiltrate a host’s cells. Through the computer modeling capabilities of Los Alamos National Laboratory, the molecular calisthenics involved in invading a cell are visually documented, an essential step toward vaccine and therapeutic medicine development. “The two very different viruses both use a surface protein to initiate a process called ‘membrane fusion,’ which allows the viral entry into the host cell,” said Chang-Shung Tung, the leading and corresponding author of the recent work in the journal Biomolecules. “Before the membrane fusion started, these two proteins went through large conformational changes that was not fully understood, as the proteins would take on the physical shape that would allow them to fuse with the cell and begin the infection. In this work, we modeled the structures of the two proteins in the fusion-initiation state. Then we used the structures to explain how four different antibodies in our bodies can fight the infection and block the viral entry, based on how they bind to these two proteins,” Tung said. The aim of the team’s work was to understand the specific structure-function relationship of the Ebola glycoprotein (EBOV GP) and Zika envelope (ZIKA E) proteins, the ones that are instrumental in the fusion with the host cell. “This computer modeling approach allowed us to generate atomic-level models of EBOV GP and ZIKV E proteins in the fusion state for the first time,” said Anna Lappala, a postdoctoral fellow at the Center for Nonlinear Studies and the Theoretical Biology & Biophysics Group at Los Alamos. “These models, together with the knowledge of the envelope proteins in the pre-fusion state, allowed us to study the function of neutralizing antibodies as they bind to the viral envelope proteins.” Read the published scientific paper here: http://www.mdpi.com/2218-273X/8/2/25/pdf

59 BASIC BIOLOGICAL SCIENCES↗

Landslides caused by the Mw7.8 Kaikōura earthquake and the immediate response

Tens of thousands of landslides were generated over 10,000 km 2 of North Canterbury and Marlborough as a consequence of the 14 November 2016, M w 7.8 Kaikōura Earthquake. The most intense landslide damage was concentrated in 3500 km 2 around the areas of fault rupture. Given the sparsely populated area affected by landslides, only a few homes were impacted and there were no recorded deaths due to landslides. Landslides caused major disruption with all road and rail links with Kaikōura being severed. The landslides affecting State Highway 1 (the main road link in the South Island of New Zealand) and the South Island main trunk railway extended from Ward in Marlborough all the way to the south of Oaro in North Canterbury. The majority of landslides occurred in two geological and geotechnically distinct materials reflective of the dominant rock types in the affected area. In the Neogene sedimentary rocks (sandstones, limestones and siltstones) of the Hurunui District, North Canterbury and around Cape Campbell in Marlborough, first-time and reactivated rock-slides and rock-block slides were the dominant landslide type. These rocks also tend to have rock material strength values in the range of 5-20 MPa. In the Torlesse ‘basement’ rocks (greywacke sandstones and argillite) of the Kaikōura Ranges, first-time rock and debris avalanches were the dominant landslide type. These rocks tend to have material strength values in the range of 20-50 MPa. A feature of this earthquake is the large number (more than 200) of valley blocking landslides it generated. This was partly due to the steep and confined slopes in the area and the widely distributed strong ground shaking. The largest landslide dam has an approximate volume of 12(±2) M m 3 and the debris from this travelled about 2.7 km 2 downslope where it formed a dam blocking the Hapuku River. The long-term stability of cracked slopes and landslide dams from future strong earthquakes and large rainstorms are an ongoing concern to central and local government agencies responsible for rebuilding homes and infrastructure. A particular concern is the potential for debris floods to affect downstream assets and infrastructure should some of the landslide dams breach catastrophically. At least twenty-one faults ruptured to the ground surface or sea floor, with these surface ruptures extending from the Emu Plain in North Canterbury to offshore of Cape Campbell in Marlborough. The mapped landslide distribution reflects the complexity of the earthquake rupture. Landslides are distributed across a broad area of intense ground shaking reflective of the elongate area affected by fault rupture, and are not clustered around the earthquake epicentre. The largest landslides triggered by the earthquake are located either on or adjacent to faults that ruptured to the ground surface. Surface faults may provide a plane of weakness or hydrological discontinuity and adversely oriented surface faults may be indicative of the location of future large landslides. Their location appears to have a strong structural geological control. Initial results from our landslide investigations suggest predictive models relying only on ground-shaking estimates underestimate the number and size of the largest landslides that occurred.

58 GEOSCIENCES↗