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DOE OSTI2021

Transparent window 2D IR spectroscopy of proteins

Proteins are complex, heterogeneous macromolecules that exist as ensembles of interconverting states on a complex energy landscape. A complete, molecular-level understanding of their function requires experimental tools to characterize them with high spatial and temporal precision. Infrared (IR) spectroscopy has an inherently fast time scale that can capture all states and their dynamics with, in principle, bond-specific spatial resolution. Two-dimensional (2D) IR methods that provide richer information are becoming more routine but remain challenging to apply to proteins. Spectral congestion typically prevents selective investigation of native vibrations; however, the problem can be overcome by site-specific introduction of amino acid side chains that have vibrational groups with frequencies in the “transparent window” of protein spectra. This Perspective provides an overview of the history and recent progress in the development of transparent window 2D IR of proteins.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1998

Anisotropic Optical-Response of Eu-doped Yttrium Orthosilicate

Eu-doped yttrium orthosilicate (Eu(3+) : Y2SiO5) had been a subject being investigated for coherent time-domain optical memory and information processing applications since its ultraslow optical dephasing was discovered several years ago. In this crystal the weakly allowed (7)F0 - (5)D0 transition of europium ions exhibits a sufficient long dephasing time and no spectral difli.usion on a time scale of several hours at low temperature, thus an information pattern or data can be stored as a population grating in the ground state hyperfine levels. On the other hand, the study on photon-echo relaxation shows that the dephasing time T2 of Eu (3+) and other rare-earth ions doped YAG, YAlO3 strongly depends on the intensity of the excitation pulses. In Eu (3+) :YAlO3, an exponential decay of photon-echo with T2 = 53 microseconds if the excitation pulses are weak (5 vJ/pulse) was observed. However, when the excitation pulses are strong (80 pJ/pulse) they observed a much shortened T2 with a highly nonexponential decay pattern. The conclusion they derived is that the intensity-dependent dephasing rate effects are quite general, and it depends on how much the excitation intensity varies. In this paper we use transient grating formation technique showing that a temporal lattice distortion may only occur along crystal c axis, caused by EU (3+) excitation. At high excitation level the produced exciton in conduction band may also couple to the dynamical lattice relaxation process, giving rise to an apparently much shortened dephasing time.

Liu, Huimin↗

NASA NTRS2014

Effects of Long Duration Spaceflight on Venous and Arterial Compliance

The visual impairment and intracranial pressure syndrome (VIIP) is a newly described space flight-associated medical condition made up of a constellation of symptoms affecting at least 34% of American astronauts who have flown International Space Station (ISS) missions. VIIP is defined primarily by visual acuity deficits and anatomical changes to eye structures, and is thought to be related to elevated intracranial pressure secondary to space flightinduced cephalad fluid shifts. Loss of visual acuity could be a significant threat to crew health and performance and may be suggestive of other adaptations with implications for years post-flight. Our primary objective is to determine whether vascular compliance is altered by space flight and whether such adaptations are related to the incidence of VIIP. In particular, we will measure ocular parameters and vascular compliance in vessels of the head and neck in astronauts who have no space flight experience, in astronauts before, during, and after space flight, and in bed rest subjects with conditions similar to space flight. Additionally, we will analyze astronaut data from the Lifetime Surveillance of Astronaut Health (LSAH) archive to determine which factors might be predictive of the development of VIIP. The project will be conducted in four separate but related parts. To understand the baseline condition of astronauts without any prior space flight experience, we will study 10 astronauts who have never flown in space by performing a comprehensive evaluation of the vasculature of the head, neck and eyes. Hemodynamic data (stroke volume and blood pressure), ocular (tonometry and ocular ultrasound), venous and arterial parameters will be acquired across a range of tilt angles (20, 10, 0, -10, -20 degrees). Vessels to be studied include the temporal, jugular, and vertebral veins and the cerebral, carotid and vertebral arteries. Ophthalmic data from the annual physical will be obtained through data sharing. To examine the relation between vascular compliance in the head and neck and the development of VIIP after a long duration space flight, we will study 10 astronauts before, during, and after long-duration ISS missions. Pre- and post-flight testing will be identical to that described above. During flight, images of the same vessels of interest will be obtained for later analysis. Ophthalmic data including VIIP scores will be obtained through data sharing from medically-required tests. To investigate the effects of age and elevated sodium intake, two potential contributors to VIIP, we will study 24 men (in two age groups: 25-35 and 45-55) during a 14 day 6deg head-down bed rest, a well-accepted analog of space flight. Standard NASA bed rest conditions will be maintained except for dietary sodium. Sodium intake will be similar to that of ISS astronauts, which is higher than consumed in previous bed rest studies. Pre- and post-bed rest testing procedures will be identical to the testing protocol described above for astronauts. Ophthalmic testing (optical coherence tomography, fundoscopy, and tonometry) will be conducted on the same day that vascular compliance measures are obtained. To identify parameters that may relate to an increase in an astronaut's susceptibility to developing VIIP, we will use data mining techniques to evaluate astronaut data obtained from the LSAH. Medical history, family history, space flight history and its related exposures, and history of high performance jet aircraft exposure will be examined for their potential relationship to ocular data. We hypothesize that the cephalad fluid shift induced by space flight will result in structural and functional adaptations in head and neck vessels leading to decreased vascular compliance and related to the development of VIIP symptoms. Further, although VIIP has not been observed in previous bed rest studies, we hypothesize that an elevated sodium intake will increase the incidence of VIIP symptoms in this space flight analog. Finally, we hypothesize that data mining analyses will reveal relationships between health history, previous exposures (including space flight and high performance aircraft), and the development of VIIP in the astronaut population.

Ribeiro, L. C.↗

DOE OSTI2021

The ultrafast Kerr effect in anisotropic and dispersive media

The ultrafast optical Kerr effect (OKE) is widely used to investigate the structural dynamics and interactions of liquids, solutions, and solids by observing their intrinsic nonlinear temporal responses through nearly collinear four-wave mixing. Non-degenerate mixing schemes allow for background free detection and can provide information on the interplay between a material’s internal degrees of freedom. Here, we show a source of temporal dynamics in the OKE signal that is not reflective of the internal degrees of freedom but arises from a group index and momentum mismatch. It is observed in two-color experiments on condensed media with sizable spectral dispersion, a common property near an optical resonance. In particular, birefringence in crystalline solids is able to entirely change the character of the OKE signal via the off-diagonal tensor elements of the nonlinear susceptibility. We develop a detailed description of the phase-mismatched ultrafast OKE and show how to extract quantitative information on the spectrally resolved birefringence and group index from time-resolved experiments in one and two dimensions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Simultaneous Measurements of Noncommuting Observables: Positive Transformations and Instrumental Lie Groups

We formulate a general program for describing and analyzing continuous, differential weak, simultaneous measurements of noncommuting observables, which focuses on describing the measuring instrument autonomously, without states. The Kraus operators of such measuring processes are time-ordered products of fundamental differential positive transformations, which generate nonunitary transformation groups that we call instrumental Lie groups. The temporal evolution of the instrument is equivalent to the diffusion of a Kraus-operator distribution function, defined relative to the invariant measure of the instrumental Lie group. This diffusion can be analyzed using Wiener path integration, stochastic differential equations, or a Fokker-Planck-Kolmogorov equation. This way of considering instrument evolution we call the Instrument Manifold Program. We relate the Instrument Manifold Program to state-based stochastic master equations. We then explain how the Instrument Manifold Program can be used to describe instrument evolution in terms of a universal cover that we call the universal instrumental Lie group, which is independent not just of states, but also of Hilbert space. The universal instrument is generically infinite dimensional, in which case the instrument’s evolution is chaotic. Special simultaneous measurements have a finite-dimensional universal instrument, in which case the instrument is considered principal, and it can be analyzed within the differential geometry of the universal instrumental Lie group. Principal instruments belong at the foundation of quantum mechanics. We consider the three most fundamental examples: measurement of a single observable, position and momentum, and the three components of angular momentum. As these measurements are performed continuously, they converge to strong simultaneous measurements. For a single observable, this results in the standard decay of coherence between inequivalent irreducible representations. For the latter two cases, it leads to a collapse within each irreducible representation onto the classical or spherical phase space, with the phase space located at the boundary of these instrumental Lie groups.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2001

Separating Spatial and Temporal Variations of the Aurora Using Two Nearly Colocated Satellites

This final report describes the efforts accomplished during the grant's period of performance, covering the period of 1 May 1997 to 30 April 2001, of a NASA Supporting Research and Technology Program grant under the Ionospheric, Thermospheric, and Mesospheric Physics component of the Sun-Earth Connections program. We have met and exceeded the goals set forth in the proposed research objectives. Referred publications have appeared in the scientific literature and several others are in the review process. In addition, numerous invited and contributed presentations of these studies were presented at national and international meetings during the performance period. One graduate student completed his PhD and won two AGU Best Student Paper awards based on research funded by this grant. These studies are summarized below. The science goal delineated in the initial proposal was "to systematically explore the temporal and spatial characteristics of the aurora in a way heretofore impossible, using data from two coplanar DMSP spacecraft." We accomplished this goal through a series of related studies. One study used these unique data to establish the role of Ps6 waves in coupling between the magnetosphere and the auroral ionosphere (omega bands) during the recovery phase of a magnetic storm; the published paper demonstrated the causal relationships between geospace processes occurring in different regions and established a simple conceptual model based on the fortuitous constellation of observations. In the second string of papers, we used these data to explore velocity-dispersed ions (VDIS) in and near the cusp, to test region identification models, and to look at space/time structure of auroral precipitation. On the first topic, the unique DMSP data revealed a remarkable double VDIS with a latitudinal overlap. This could only be explained in terms of a unified reconnection geometry that builds on several earlier unrelated models. The paper outlining this discovery has drawn considerable attention from the community and is currently in press - it adds significantly to the debate over whether reconnection is study state versus bursty and patchy versus global. The second paper develops the model further by incorporating the electron signature - these ionospheric particle precipitation signatures reveal the presence of magnetospheric "fossilized" FTEs, demonstrating the power of ionospheric measurements as a remote diagnostic of magnetospheric processes. Finally, the general nature of aurora] stability and coherence and region identification by particle characteristics were fully explored in a final paper. We identify candidate mechanisms controlling coherence time scales and length scales and refine boundary region identification criteria. We also use the dual-DMSP observations to identify the open and closed LLBL region and related its significance to the generalized bursty, multiple x-line model developed in the first paper. All of these topics are chapters of Dr. Boudouridis' recently completed PhD thesis.

Spence, Harlan E.↗

DOE OSTI2025

Ultrafast low-temperature metal–insulator interface phonon dynamics and heat transport in a Pt/Gd 3 Fe 5 O 12 heterostructure

Interfacial thermal and acoustic phenomena have an important role in quantum science and technology, including in spintronic and spincaloritronic materials and devices. Simultaneous measurements of the low-temperature thermal and acoustic properties of a metal/insulator heterostructure reveal distinct dynamics in the characteristic phonon frequency ranges of acoustic and thermal transport. The measurements probed a heterostructure consisting of a thin film of Pt on the ferrimagnetic insulator gadolinium iron garnet (Gd 3 Fe 5 O 12 , GdIG) grown epitaxially on a gadolinium gallium garnet substrate. Ultrafast structural dynamics within the Pt layer were tracked using time-resolved ultrafast x-ray diffraction and analyzed to probe interfacial acoustic and thermal properties. The rapid heating of the Pt layer by a 400 nm wavelength femtosecond-duration optical pulse produced transient structural changes that provided the stimulus for these measurements. Rapid heating produced a broadband acoustic pulse that was partially reflected by the Pt/GdIG interface. Temporal frequencies up to 740 GHz, corresponding to angular frequencies of several THz, were detected in a wavelet analysis of the acoustic oscillations of the strain in the Pt layer. The structural results were analyzed to determine (i) the acoustic damping coefficient and phonon mean free path in Pt at frequencies of hundreds of GHz and (ii) the Grüneisen anharmonicity parameter. The thermal conductance of the Pt/GdIG interface was tracked using the slower, tens-of-picosecond-scale, dynamics of the initial cooling of the heated Pt layer. Analysis using a model based on the Boltzmann transport equation shows that the phonon transmission is lower at the phonon frequencies relevant to thermal transport than for subterahertz regime acoustics.

Acoustic phenomena↗

NASA NTRS2023

The Extreme 2016 Wheat Failure in France

France suffered in 2016 the most extreme wheat yield decline in recent history, with some districts losing 55% yield. To attribute causes, we combined the largest coherent detailed wheat field experimental dataset with statistical and crop model techniques, climate information and yield physiology. The 2016 yield was composed of up to 40% fewer grains that were up to 30% lighter than expected across eight research stations in France. The flowering stage was affected by prolonged cloud cover and heavy rainfall when 31% of the loss in grain yield was incurred from reduced solar radiation and 19% from floret damage. Grain filling was also affected as 26% of grain yield loss was caused by soil anoxia, 11% by fungal foliar diseases and 10% by ear blight. Compounding climate effects caused the extreme yield decline. The likelihood of these compound factors recurring under future climate change is estimated to change with a higher frequency of extremely low wheat yields.

Extreme weather↗

DOE OSTI2026

Time-resolved X-ray imaging of the current filamentation instability in solid-density plasmas

The streaming of energetic charged particles can magnetize astrophysical and laboratory plasmas via the current filamentation instability. Despite its importance, the experimental characterization of this instability has remained a challenge. Here, we report an experiment combining a high-intensity optical laser with a high-brightness X-ray free electron laser that successfully images the instability in solid-density plasmas with 200 nm spatial and 50 fs temporal resolution. We characterize the development of μm-scale filamentary structures and their evolution over tens of picoseconds through a non-linear merging process. The measured plasma density modulations and long merging time reveal the critical importance of space-charge effects and ion motion on this electron-driven instability. Supporting theoretical analysis and kinetic simulations help distinguish the relative role of space-charge and resistive effects. Our findings indicate that magnetic fields on the order of 10 megagauss are produced, with important implications for transport and radiation emission of energetic particles in plasmas.

Schoenwaelder, Christopher [SLAC National Accelera↗

NASA NTRS2010

NASA Goddard Giovanni Support for YOTC

The fundamental challenges to overcoming our shortcomings in understanding and modeling/predicting tropical convection have been twofold: I) the need to represent the broad range of scales applicable to the tropical organization problem (i.e. cumulus to planetary), and II) the lack of observations that adequately and simultaneously characterize this broad range of scales and that also provide three-dimensional information on thermodynamic, radiative and dynamical interactions, including cloud microphysical processes. In regards to the second challenge, it should be stressed that this problem will not be solved through the production and examination of one or a few high quality long-term records of fundamental quantities (e.g., SST, water vapor, cloud fraction). Rather, an alternative and more comprehensive paradigm is needed, one that integrates the multitude of applicable resources and measures of tropical convection in a manner that that can be better utilized by the diagnostic, modeling and forecasting communities to more completely and coherently focus on the problem.Because the goal of YOTC involves examining a scientifically complex, multi-scale process , rather than documenting the characteristics of a single parameter (e.g., SST, cloud cover), YOTC has an IOP perspective that targets a period, May 2008 April 2010, long enough to encompass many cases of tropical convection activity in many of its most challenging yet influential forms. This includes mesoscale and synoptic variability, easterly waves and hurricanes, convectively coupled waves, the MJO and the culmination of these in terms of the monsoon, their interactions with the extra-tropics, and mean characteristics such as tropical-to-subtropical transitions. The YOTC time period and length are driven in part by the following: 1) keeping the multi-sensor/multi-platform and model-analyses data sets and associated infrastructure manageable, 2) facilitating a focused effort by the research and operational communities on a specific scientific problem, and 3) capitalizing on the recent key additions to the armada of satellites (e.g., CloudSat and CALIPSO). The proposed dissemination framework for the YOTC satellite data archive is based on the Giovanni system. Giovanni is a web-based application developed by the NASA Goddard Earth Science (GES) Data and Information Service Center (DISC) that provides a simple and intuitive way to visualize, analyze, and access/download vast amounts of Earth science remote sensing data. A prototype YOTC Giovanni System (hereafter YOTC-GS) is in the process of being developed. YOTC-GS will provide access to level 2 (i.e. swath level data) and/or level 3 (i.e. gridded/mapped data) forms of satellite data, the choice or both depending on what is appropriate and relevant. The former is needed and better suited for detailed process examination, exploiting the highest temporal-spatial resolutions available and comparison to regional cloud-system resolving model / cloud resolving model (CSRM/CRM) model output. The latter is needed and more well suited for examination of phenomena, conditions and processes on large to global scales, and for comparisons to global model analyses, prediction and simulation output.

Ostrenga, Dana↗

DOE OSTI2025

Bistable random momentum transfer in a linear on-chip resonator

Optical switches and bifurcation rely on the nonlinear response of materials. Here, we demonstrate linear temporal bifurcation responses in a passive multimode microresonator, with strongly coupled chaotic and whispering gallery modes (WGMs). In microdisks, the chaotic modes exhibit broadband transfer within the deformed cavities, but their transient response is less explored and yields a random output of the analog signal distributed uniformly from “0” to “1.” Here, we build chaotic states by perturbing the multimode microring resonators with densely packed silicon nanocrystals on the waveguide surface. In vivo measurements reveal random and “digitized” output that ONLY populates around 0 and 1 intensity levels. The bus waveguide mode couples first to chaotic modes, then either dissipates or tunnels into stable WGMs. This binary pathway generates high-contrast, digitized outputs. In conclusion, the fully passive device enables real-time conversion of periodic clock signals into binary outputs with contrasts exceeding 12.3 dB, data rates of up to 10 7 · bits per second, and 20 dB dynamic range.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2004

Comparison of Local Scale Measured and Modeled Brightness Temperatures and Snow Parameters from the CLPX 2003 by Means of a Dense Medium Radiative Transfer Theory Model

Microwave remote sensing offers distinct advantages for observing the cryosphere. Solar illumination is not required, and spatial and temporal coverage are excellent from polar-orbiting satellites. Passive microwave measurements are sensitive to the two most useful physical quantities for many hydrological applications: physical temperature and water content/state. Sensitivity to the latter is a direct result of the microwave sensitivity to the dielectric properties of natural media, including snow, ice, soil (frozen or thawed), and vegetation. These considerations are factors motivating the development of future cryospheric satellite remote sensing missions, continuing and improving on a 26-year microwave measurement legacy. Perhaps the biggest issues regarding the use of such satellite measurements involve how to relate parameter values at spatial scales as small as a hectare to observations with sensor footprints that may be up to 25 x 25 km. The NASA Cold-land Processes Field Experiment (CLPX) generated a dataset designed to enhance understanding of such scaling issues. CLPX observations were made in February (dry snow) and March (wet snow), 2003 in Colorado, USA, at scales ranging from plot scale to 25 x 25 km satellite footprints. Of interest here are passive microwave observations from ground-based, airborne, and satellite sensors, as well as meteorological and snowpack measurements that will enable studies of the effects of spatial heterogeneity of surface conditions on the observations. Prior to performing such scaling studies, an evaluation of snowpack forward modelling at the plot scale (least heterogeneous scale) is in order. This is the focus of this paper. Many forward models of snow signatures (brightness temperatures) have been developed over the years. It is now recognized that a dense medium radiative transfer (DMRT) treatment represents a high degree of physical fidelity for snow modeling, yet dense medium models are particularly sensitive to snowpack structural parameters such as grain size, density, and depth---parameters that may vary substantially within a snowpack. Microwave radiometric data and snow pit measurements collected at the Local-Scale Observation Site (LSOS) during the third Intensive Observation Period (IOP3) of the CLPX have been used to test the capabilities of a DMRT model using the Quasi Crystalline Approximation with Coherent Potential (QCA-CP). The radiometric measurements were made by the University of Tokyo s Ground Based Microwave Radiometer-7 (GBMR-7) system. We evaluate the degree to which a DMRT-based model can accurately reproduce the GBMR-7 brightness temperatures at different frequencies and incidence angles.

Tedescol, Marco↗

NASA NTRS2016

Validation of a Cephalad Fluid Shift Countermeasure

INTRODUCTION: This project will provide critical data required to objectively determine how an optimized thigh cuff could be incorporated into the NASA integrated physiological countermeasure suite. This project will determine if thigh cuffs used during simulated spaceflight impact intracranial pressure (ICP), ocular structure and function, and intraocular pressure (IOP) using state of-the-art techniques. Additionally, some of the same methods, hardware, and protocols will be employed in the present investigation to enable direct comparisons to the International Space Station (ISS) "Fluid Shifts" experiment with Chibis-Lower Body Negative Pressure (LBNP). This study will determine the temporal physiological responses of thigh cuff application and removal on ocular and cerebral variables (including invasive ICP) in a microgravity analog. Furthermore, this proposed study will determine tissue pressure distribution applied by thigh cuffs in order to improve comfort, mobility, and efficacy of the countermeasure. Our specific aim is to determine the efficacy of a novel thigh cuff device to mitigate cephalad fluid shifts. We hypothesize that a thigh cuff countermeasure employed in a microgravity analog will temporarily reverse or attenuate ocular and cerebral-volume-pressure variables, approaching normal Earth-based seated posture, the most frequent posture assumed in daily life. In addition, we hypothesize that the magnitude of fluid and pressure redistribution using a thigh cuff countermeasure may require a longer exposure time than that of Chibis-LBNP (using ground-based data from our "Fluid Shifts" project). This project directly addresses Critical Path Roadmap Risks and Questions regarding "Risk of Spaceflight-Induced Intracranial Hypertension/Vision Alterations," and IRP Gap VIIP13: We need to identify preventative and treatment countermeasures to mitigate changes in ocular structure and function and intracranial pressure during spaceflight. METHODS: Noninvasive measures and tissue pressure distributions beneath thigh cuffs The objectives of this study are to: 1) determine the distribution of skin surface pressures beneath the advanced thigh cuff in ten subjects, 2) calibrate the built-in pressure measurement system of the advanced thigh cuff using an industry standard device, and 3) collect subjective feedback and data on the new cuff design to allow for further adjustments prior to invasive studies. A Tekscan Industrial Sensing (I-Scan) system will measure the pressure distribution of the advanced thigh cuff against the skin. In addition, we will measure blood pooling in the thigh and record the circumference of the thigh using Hokanson strain gauge plethysmography. The advanced thigh cuff will be adjusted to obtain a skin contact pressure of 30-50 mmHg as visualized on the Tekscan system. The built-in advanced thigh cuff pressure monitor will be recorded simultaneously to allow direct comparison to the Tekscan measurements. The volunteer will then remove the thigh cuff and remain at rest for five minutes with no legging applied. The thigh cuff will be donned again and pressure measurements will be taken in the same manner for up to 10 repetitions to show reproducibility of pressure after donning. At the conclusion of the study, subjects will be asked to flex their knee, stand, walk, and sit with the thigh cuff activated. During each of these maneuvers the subject will rate their pain/comfort using a modified Borg scale. Effect of thigh cuffs on ICP during simulated microgravity Ommaya reservoir patients will be recruited from the John Wayne Cancer Institute. Ommaya reservoirs provide safe and direct access for the measurement of ICP. Subjects will be instrumented for continuous blood pressure, ECG, and invasive ICP measures. The subjects will be positioned in the upright sitting posture for a 10-minute stabilization period. After the 10-minute stabilization period, imaging measures [ICP, Optical Coherence Tomography, IOP, ocular and vascular ultrasound] will be performed. Following baseline seated measures, the subject will be positioned randomly in the supine, 15deg head-down-tilt, and 15deg head-down-tilt with thigh cuffs and measures repeated. DISCUSSION: Tests to down-select thigh cuff designs will occur in early 2016. Invasive ICP and noninvasive eye imaging tests will begin in spring 2016. Supported by NSBRI through NCC 9-58.

Macias, B.↗