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DOE OSTI2022

Correlated mechanochemical maps of Arabidopsis thaliana primary cell walls using atomic force microscope infrared spectroscopy

Spatial heterogeneity in composition and organisation of the primary cell wall affects the mechanics of cellular morphogenesis. However, directly correlating cell wall composition, organisation and mechanics has been challenging. To overcome this barrier, we applied atomic force microscopy coupled with infrared (AFM-IR) spectroscopy to generate spatially correlated maps of chemical and mechanical properties for paraformaldehyde-fixed, intact Arabidopsis thaliana epidermal cell walls. AFM-IR spectra were deconvoluted by non-negative matrix factorisation (NMF) into a linear combination of IR spectral factors representing sets of chemical groups comprising different cell wall components. This approach enables quantification of chemical composition from IR spectral signatures and visualisation of chemical heterogeneity at nanometer resolution. Cross-correlation analysis of the spatial distribution of NMFs and mechanical properties suggests that the carbohydrate composition of cell wall junctions correlates with increased local stiffness. Together, our work establishes new methodology to use AFM-IR for the mechanochemical analysis of intact plant primary cell walls.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2014

Rotation of solar magnetic fields for the current solar cycle 24

The rotation of solar magnetic fields for the current solar cycle 24 is investigated through a cross-correlation analysis of the Carrington synoptic maps of solar photospheric magnetic fields during Carrington rotation numbers 2076-2146 (2008 October to 2014 January). The sidereal rotation rates of positive and negative magnetic fields at some latitudes are shown, and it can be found that the positive (negative) fields generally rotate faster than the negative (positive) fields in the southern (northern) hemisphere at low latitudes. The mean rotation profiles of total, positive, and negative magnetic fields between ±60° latitudes in the time interval are also obtained. It should be noted that both of the mean rotation profiles of the positive and negative magnetic fields, as well as the mean rotation profile of the total magnetic field, exhibit a quasi-rigid rotation at latitudes above about 55°. The mean rotation rates of the positive (negative) polarity reach their maximum values at about 9°(6)° latitude in the southern (northern) hemisphere. The mean rotation profile of the total magnetic field displays an obvious north-south asymmetry, where the rotation seems to be more differential in the northern hemisphere. The latitude variation in the rotation rate differences between positive and negative magnetic fields is further studied, and it is found that magnetic fields with the same polarity as the leading sunspots at a given hemisphere rotate faster than those with the opposite polarity, except for the zones around 52° latitude of the southern hemisphere and around 35° latitude of the northern hemisphere. The implication of these results is discussed. It is clear that the obtained results can provide some observational constraints on the theoretical research of the mechanisms of differential rotation and solar cycle.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1994

Analysis of subgrid models using direct and large-eddy simulations of isotropic turbulence

Direct and large eddy simulations of forced and decaying isotropic turbulence have been performed using a pseudospectral and a finite-difference code. Subgrid models that include a one-equation subgrid kinetic energy model with and without a stochastic backscatter forcing term and a new scale similarity model have been analyzed in both Fourier space and physical space. The Fourier space analysis showed that the energy transfer across the cutoff wavenumber k(sub c) is dominated by local interaction. The correlation between the exact and the modeled (by a spectral eddy viscosity) nonlinear terms and the subgrid energy transfer in physical space was found to be quite low. In physical space, a similar correlation analysis was carried out using top hat filtering. Results show that the subgrid stress and the energy flux predicted by the subgrid models correlates very well with the exact data. The scale similarity model showed very high correlation for reasonable grid resolution. However, with decrease in grid resolution, the scale similarity model became more uncorrelated, when compared to the kinetic energy subgrid model. The subgrid models were then used for large-eddy simulations for a range of Reynolds number. It was determined that the dissipation was modeled poorly and that the correlation with the exact results was quite low for all the models. In general, for coarse grid resolution, the scale similarity model consistently showed very low correlation while the kinetic energy model showed a relatively higher correlation. These results suggest that to use the scale similarity model relatively fine grid resolution may be required, whereas, the kinetic energy model could be used even in coarse grid.

Menon, S.↗

DOE OSTI2024

Nitrogen addition alters the relative importance of roots and mycorrhizal hyphae in regulating soil organic carbon accumulation in a karst forest

Plant belowground carbon (C) inputs from roots and associated mycorrhizal hyphae are increasingly recognized as critical drivers impacting soil organic C (SOC) pool. However, whether roots and mycorrhizal hyphae differentially regulate SOC formation and accumulation under elevated nitrogen (N) deposition remains to be addressed. Using an ingrowth-core technique, the relative contributions of roots and mycorrhizal hyphae to SOC accumulation were distinguished and quantified in a karst forest receiving three levels of N additions (control (0 kg N ha -1 yr -1 ), low N (150 kg N ha -1 yr -1 ) and high N (300 kg N ha -1 yr -1 )). Here our results showed that N addition stimulated SOC accumulation (indicated by the increase of both bulk SOC and mineral associated organic C fraction) influenced by both roots and hyphae, especially for higher N doses. Moreover, N addition increased the contribution of the root effect relative to the hyphal effect in the SOC accrual. The correlation analysis showed that, for the hyphal effect, the change in SOC content was solely and positively correlated with the change in protective mineral phases of SOC, but not with the microbial necromass. In contrast, for the root effect, the change in SOC content was significantly and positively correlated with the changes in both soil microbial C pump efficacy and protective mineral phases of SOC. These results suggest that roots and mycorrhizal hyphae may influence the accumulation of microbial necromass and the formation of mineral-organic associations in a different magnitude under enhanced N supply. These findings advance our understanding of the root-mycorrhizal interactions in mediating SOC dynamics in forests under future N deposition scenarios.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1993

ISPAN (Interactive Stiffened Panel Analysis): A tool for quick concept evaluation and design trade studies

Interactive Stiffened Panel Analysis (ISPAN) modules, written in FORTRAN, were developed to provide an easy to use tool for creating finite element models of composite material stiffened panels. The modules allow the user to interactively construct, solve and post-process finite element models of four general types of structural panel configurations using only the panel dimensions and properties as input data. Linear, buckling and post-buckling solution capability is provided. This interactive input allows rapid model generation and solution by non finite element users. The results of a parametric study of a blade stiffened panel are presented to demonstrate the usefulness of the ISPAN modules. Also, a non-linear analysis of a test panel was conducted and the results compared to measured data and previous correlation analysis.

Hairr, John W.↗

NASA NTRS1994

Multivariate space - time analysis of PRE-STORM precipitation

This paper presents the methodologies and results of the multivariate modeling and two-dimensional spectral and correlation analysis of PRE-STORM rainfall gauge data. Estimated parameters of the models for the specific spatial averages clearly indicate the eastward and southeastward wave propagation of rainfall fluctuations. A relationship between the coefficients of the diffusion equation and the parameters of the stochastic model of rainfall fluctuations is derived that leads directly to the exclusive use of rainfall data to estimate advection speed (about 12 m/s) as well as other coefficients of the diffusion equation of the corresponding fields. The statistical methodology developed here can be used for confirmation of physical models by comparison of the corresponding second-moment statistics of the observed and simulated data, for generating multiple samples of any size, for solving the inverse problem of the hydrodynamic equations, and for application in some other areas of meteorological and climatological data analysis and modeling.

Polyak, Ilya↗

DOE OSTI2021

Conservation management decreases surface runoff and soil erosion

Conservation management practices – including agroforestry, cover cropping, no-till, reduced tillage, and residue return – have been applied for decades to control surface runoff and soil erosion, yet results have not been integrated and evaluated across cropping systems. In this study we collected data comparing agricultural production with and without conservation management strategies. We used a bootstrap resampling analysis to explore interactions between practice type, soil texture, surface runoff, and soil erosion. We then used a correlation analysis to relate changes in surface runoff and soil erosion to 13 other soil health and agronomic indicators, including soil organic carbon, soil aggregation, infiltration, porosity, subsurface leaching, and cash crop yield. Across all conservation management practices, surface runoff and erosion had respective mean decreases of 67% and 80% compared with controls. Use of cover cropping provided the largest decreases in erosion and surface runoff, thus emphasizing the importance of maintaining continuous vegetative cover on soils. Coarse- and medium-textured soils had greater decreases in both erosion and runoff than fine-textured soils. Changes in surface runoff and soil erosion under conservation management were highly correlated with soil organic carbon, aggregation, porosity, infiltration, leaching, and yield, showing that conservation practices help drive important interactions between these different facets of soil health. This study offers the first large-scale comparison of how different conservation agriculture practices reduce surface runoff and soil erosion, and at the same time provides new insight into how these interactions influence the improvement or loss of soil health.

58 GEOSCIENCES↗

NASA NTRS1975

Evaluation of ERTS MSS digital data for monitoring water in the lower Chesapeake Bay area

Water samples collected during the ERTS overpasses of the lower Chesapeake Bay area have been analyzed for chlorophyll, particles, and sediment. Five ERTS images were sufficiently cloud free that a correlation analysis of radiance values from the MSS bands with the water parameters could be performed. A low correlation was established for chlorophyll, except during algal blooms, when band 6 was responsive. There was a fair to good correlation with particles for combinations of band 5, particularly bands (5 minus 6). Sediment correlations were excellent for band 5 or combinations of band 5 with bands 4 and 6. It was evident that such factors as the atmosphere, tide, and different water masses were tending to confuse the data.

Bowker, D. E.↗

DOE OSTI2014

A joint analysis of Planck and BICEP2 B modes including dust polarization uncertainty

We analyze BICEP2 and Planck data using a model that includes CMB lensing, gravity waves, and polarized dust. Recently published Planck dust polarization maps have highlighted the difficulty of estimating the amount of dust polarization in low intensity regions, suggesting that the polarization fractions have considerable uncertainties and may be significantly higher than previous predictions. In this paper, we start by assuming nothing about the dust polarization except for the power spectrum shape, which we take to be C{sub l}{sup BB,dust} ∝ l{sup -2.42}. The resulting joint BICEP2+Planck analysis favors solutions without gravity waves, and the upper limit on the tensor-to-scalar ratio is r<0.11, a slight improvement relative to the Planck analysis alone which gives r<0.13 (95% c.l.). The estimated amplitude of the dust polarization power spectrum agrees with expectations for this field based on both HI column density and Planck polarization measurements at 353 GHz in the BICEP2 field. Including the latter constraint on the dust spectrum amplitude in our analysis improves the limit further to r < 0.09, placing strong constraints on theories of inflation (e.g., models with r>0.14 are excluded with 99.5% confidence). We address the cross-correlation analysis of BICEP2 at 150 GHz with BICEP1 at 100 GHz as a test of foreground contamination. We find that the null hypothesis of dust and lensing with 0r= gives Δ χ{sup 2} < 2 relative to the hypothesis of no dust, so the frequency analysis does not strongly favor either model over the other. We also discuss how more accurate dust polarization maps may improve our constraints. If the dust polarization is measured perfectly, the limit can reach r < 0.05 (or the corresponding detection significance if the observed dust signal plus the expected lensing signal is below the BICEP2 observations), but this degrades quickly to almost no improvement if the dust calibration error is 20% or larger or if the dust maps are not processed through the BICEP2 pipeline, inducing sampling variance noise.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Nationwide Buildings Energy Research enabled through an integrated Data Intensive Scientific Workflow and Advanced Analysis Environment

Modern workflow systems enable scientists to run ensemble simulations at unprecedented scales and levels of complexity, allowing them to study system sizes previously impossible to achieve, due to the inherent resource requirements needed for the modeling work. However as a result of these new capabilities the science teams suddenly also face unprecedented data volumes that they are unable to analyze with their existing tools and methodologies in a timely fashion. In this paper we will describe the ongoing development work to create an integrated data intensive scientific workflow and analysis environment that offers researchers the ability to easily create and execute complex simulation studies and provides them with different scalable methods to analyze the resulting data volumes. The integration of simulation and analysis environments is hereby not only a question of ease of use, but supports fundamental functions in the correlated analysis of simulation input, execution details and derived results for multi-variant, complex studies. To this end the team extended and integrated the existing capabilities of the Velo data management and analysis infrastructure, the MeDICi data intensive workflow system and RHIPE the R for Hadoop version of the well-known statistics package, as well as developing a new visual analytics interface for the result exploitation by multi-domain users. The capabilities of the new environment are demonstrated on a use case that focusses on the Pacific Northwest National Laboratory (PNNL) building energy team, showing how they were able to take their previously local scale simulations to a nationwide level by utilizing data intensive computing techniques not only for their modeling work, but also for the subsequent analysis of their modeling results. As part of the PNNL research initiative PRIMA (Platform for Regional Integrated Modeling and Analysis) the team performed an initial 3 year study of building energy demands for the US Eastern Interconnect domain, which they are now planning to extend to predict the demand for the complete century. The initial study raised their data demands from a few GBs to 400GB for the 3year study and expected tens of TBs for the full century.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2022

Summer thaw duration is a strong predictor of the soil microbiome and its response to permafrost thaw in arctic tundra

Abstract Climate warming has increased permafrost thaw in arctic tundra and extended the duration of annual thaw (number of thaw days in summer) along soil profiles. Predicting the microbial response to permafrost thaw depends largely on knowing how increased thaw duration affects the composition of the soil microbiome. Here, we determined soil microbiome composition from the annually thawed surface active layer down through permafrost from two tundra types at each of three sites on the North Slope of Alaska, USA. Variations in soil microbial taxa were found between sites up to ~90 km apart, between tundra types, and between soil depths. Microbiome differences at a site were greatest across transitions from thawed to permafrost depths. Results from correlation analysis based on multi‐decadal thaw surveys show that differences in thaw duration by depth were significantly, positively correlated with the abundance of dominant taxa in the active layer and negatively correlated with dominant taxa in the permafrost. Microbiome composition within the transition zone was statistically similar to that in the permafrost, indicating that recent decades of intermittent thaw have not yet induced a shift from permafrost to active‐layer microbes. We suggest that thaw duration rather than thaw frequency has a greater impact on the composition of microbial taxa within arctic soils.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1995

DITDOS: A set of design specifications for distributed data inventories

The analysis of space science data often requires researchers to work with many different types of data. For instance, correlative analysis can require data from multiple instruments on a single spacecraft, multiple spacecraft, and ground-based data. Typically, data from each source are available in a different format and have been written on a different type of computer, and so much effort must be spent to read the data and convert it to the computer and format that the researchers use in their analysis. The large and ever-growing amount of data and the large investment by the scientific community in software that require a specific data format make using standard data formats impractical. A format-independent approach to accessing and analyzing disparate data is key to being able to deliver data to a diverse community in a timely fashion. The system in use at the Planetary Plasma Interactions (PPI) node of the NASA Planetary Data System (PDS) is based on the object-oriented Distributed Inventory Tracking and Data Ordering Specification (DITDOS), which describes data inventories in a storage independent way. The specifications have been designed to make it possible to build DITDOS compliant inventories that can exist on portable media such as CD-ROM's. The portable media can be moved within a system, or from system to system, and still be used without modification. Several applications have been developed to work with DITDOS compliant data holdings. One is a windows-based client/server application, which helps guide the user in the selection of data. A user can select a data base, then a data set, then a specific data file, and then either order the data and receive it immediately if it is online or request that it be brought online if it is not. A user can also view data by any of the supported methods. DITDOS makes it possible to use already existing applications for data-specific actions, and this is done whenever possible. Another application is a stand-alone tool to assist in the extraction of data from portable media, such as CD-ROM's. In addition to the applications, there is a set of libraries that can facilitate building new DITDOS compliant applications.

King, T. A.↗

NASA NTRS2024

Connecting Global Modes of Variability to Climate in High Mountain Asia

Oscillations in global modes of variability (MoV) form global teleconnections that affect regional climate variability and modify the potential for severe and damaging weather conditions. Un-derstanding the link between certain MoVs and regional climate can improve the ability to more accurately predict environmental conditions that impact human life and health. In this study, we explore the connection between different MoVs, including the Arctic Oscillation (AO), Eurasian teleconnection, Indian Ocean Dipole (IOD), North Atlantic Oscillation (NAO), and El Niño Southern Oscillation (Nino34), with winter and summer climate in the High Mountain Asia (HMA) region, including geopotential height at 250 hPa (z250), 2-m air temperature (T2M), total precipitation (PRECTOT), and fractional snow cover area (fSCA). Relationships are explored for the same monthly period between the MoVs and the climate variables, and also using a lagged correlation analysis to investigate whether any relationship exists at different time lags. We find that T2M has a negative correlation with the Eurasian teleconnection in the Inner Tibetan Plateau and Central China in both winter and summer and a positive correlation in Western China in summer. PRECTOT has a positive correlation with all MoV in most regions in winter, especially with the IOD, and a negative correlation in summer, especially with the Eurasian teleconnection. Snow cover in winter is positively correlated with most indices throughout many regions in HMA, likely due to wintertime precipitation also being positively correlated with most indices. Generally, the AO and NAO show similar correlation patterns with all climate variables, espe-cially in the winter, possibly due to their oscillations being so similar. Furthermore, the AO and NAO are shown to be less significant in explaining the variation in HMA climate compared to other MoVs such as the Eurasian teleconnection. Overall, our results identify different time-windows and specific regions within HMA that exhibit high correlation between climate and MoVs, which might offer additional predictability of the MoVs as well as of climate and weather patterns in HMA and throughout the globe.

teleconnections↗

DOE OSTI2014

Tracking the evolution of quasi-periodic oscillation in RE J1034+396 using the Hilbert-Huang transform

RE J1034+396, a narrow-line Seyfert 1 active galactic nucleus (AGN), is the first example of AGNs that exhibited a nearly coherent quasi-periodic oscillation (QPO) for the data collected by XMM-Newton in 2007. The spectral behaviors and timing properties of the QPO have been studied since its discovery. We present an analysis of the QPO in RE J1034+396 based on the Hilbert-Huang transform. Comparing with other time-frequency analysis methods, the Hilbert spectrum reveals the variation of the QPO period in great detail. Furthermore, the empirical mode decomposition provides bandpass-filtered data that can be used in the O – C and correlation analysis. We suggest that it is better to divide the evolution of the QPO in this observation into three epochs according to their different periodicities. In addition to the periodicities, the correlations between the QPO periods and corresponding mean count rates are also different in these three epochs. Further examining the phase lags in these epochs, we found no significant phase lags between the soft and hard X-ray bands, which is also confirmed in the QPO phase-resolved spectral analysis. Finally, we discuss the indications of current models including a spotted accretion disk, diskoseismology, and oscillation of shock according to the observed time-frequency and spectral behaviors.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Nanoscale Chemical Reaction Imaging at the Solid-Liquid Interface via TERS

Plasmon-enhanced chemical transformations at the solid-liquid interface can be imaged with high sensitivity, chemical selectivity, and nanoscale precision through tip-enhanced Raman scattering (TERS). We demonstrate the latter for the first time through measurements aimed at (i) locating plasmonic hotspots at the solid-liquid interface at which chemical transformations take place, (ii) monitoring the evolution from reactants to products through their distinct Raman spectra, and (iii) 2D correlation analysis of Raman time trajectories to unambiguously extract the spectral components that mark chemical transformation and to understand the correlations between the product and parent signatures. For our proof-of-principle study, we select a model plasmon-enhanced chemical process, namely, the dimerization of p-nitrothiophenol to dimercaptoazobenzene, but now, at the solid-liquid interface. Our plasmonic construct otherwise consists of chemically functionalized gold microplates in aqueous solution, which we image using a gold-coated TERS probe irradiated at 633-nm. Overall, we demonstrate chemical reaction imaging in aqueous solution via TERS for the first time, herein, at a pixel-limited lateral spatial resolution of 10 nm.

Bhattarai, Ashish↗

DOE OSTI2014

SU-E-T-45: Antibody Mean Residence Time in Blood and Its Correlation with Protein Molecular Weight

Purpose: Animal biodistribution data are required prior to introducing a new radiopharmaceutical into clinical trials. Protein engineering, using recombinant DNA techniques can produce a large number of related (cognate) antibodies to a given molecular target. Thus, it is important that these constructs be numerically related to one another via a single criterion. In the following, we use the mean residence time (MRT) in murine blood as this criterion. Methods: Five cognate anti-CEA (Carcinoembryonic Antigen) antibodies were compared with regard to their MRT in whole blood of CEA-positive tumor-bearing (LS174T) mice. MRT was defined by blood AUC (area under the curve) divided by the initial blood uptake value; all in units of percent injected dose per gram (%ID/g). Cognates included single chain scFv (25 kDa), diabody (50 kDa), minibody (80 kDa), F(ab')2 (120 kDa), and intact (155 kDa) forms of the murine cT84.66 antibody against CEA. All were labeled with radioactive iodine. Results: The agents, in the sequence listed, exhibited MRT values of 1.16 +/- 0.01 h, 0.99 h, 5.06 +/- 0.70 h, 6.61 +/- 0.36 h, and 59.3 +/- 2.4 h respectively. Because of the monotonic nature of the sequence, a linear correlation analysis was performed between molecular weight (MW) and MRT or ln(MRT) of the 5 proteins. Probability of random correlation was 0.10 for MRT and 0.01 for ln(MRT). Conclusion: MRT values of cognate anti-CEA antibodies were found to be a monotonically increasing sequence with respect to MW. Cognate MW values correlated best to ln(MRT) of the protein species. Thus MRT was proportional to an exponential function of molecular weight. The extended intact antibody circulation time presumably reflected its relatively maximal MW. Presence of an intact FC segment on this native antibody may also have influenced these results.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Phenylpropanoid Biosynthesis Gene Expression Precedes Lignin Accumulation During Shoot Development in Lowland and Upland Switchgrass Genotypes

Efficient conversion of lignocellulosic biomass into biofuels is influenced by biomass composition and structure. Lignin and other cell wall phenylpropanoids, such as para -coumaric acid ( p CA) and ferulic acid (FA), reduce cell wall sugar accessibility and hamper biochemical fuel production. Toward identifying the timing and key parameters of cell wall recalcitrance across different switchgrass genotypes, this study measured cell wall composition and lignin biosynthesis gene expression in three switchgrass genotypes, A4 and AP13, representing the lowland ecotype, and VS16, representing the upland ecotype, at three developmental stages [Vegetative 3 (V3), Elongation 4 (E4), and Reproductive 3 (R3)] and three segments (S1–S3) of the E4 stage under greenhouse conditions. A decrease in cell wall digestibility and an increase in phenylpropanoids occur across development. Compared with AP13 and A4, VS16 has significantly less lignin and greater cell wall digestibility at the V3 and E4 stages; however, differences among genotypes diminish by the R3 stage. Gini correlation analysis across all genotypes revealed that lignin and p CA, but also pectin monosaccharide components, show the greatest negative correlations with digestibility. Lignin and p CA accumulation is delayed compared with expression of phenylpropanoid biosynthesis genes, while FA accumulation coincides with expression of these genes. The different cell wall component accumulation profiles and gene expression correlations may have implications for system biology approaches to identify additional gene products with cell wall component synthesis and regulation functions.

09 BIOMASS FUELS↗

NASA NTRS1988

VHF radar remote sensing of atmospheric parameters over Taiwan during the time period of Typhoon Wayne

The VHF radar located at the subtropical and low latitude observing site of Taiwan has been used to observe atmospheric parameters from the troposphere to the middle atmosphere during the time passage of Typhoon Wayne in August 1986. Time-dependent wind velocities with three-dimensional profiles have been plotted by processing the recorded data of the backscattered echo power and the Doppler spectral width of the signal returns from the VHF radar. Propagation characteristics of the gravity waves excited by the enhanced convective motions of Typhoon Wayne have been detected from the Fourier power spectrum analysis of the three-dimensional wind velocities from multiple beams of the VHF radar and their cross-correlation analysis. The density perturbations caused by the propagation of the gravity waves can be calculated from the VHF radar observations. The VHF radar can also be used to detect time-dependent vertical profiles of the liquid water content. The present study shows that the equivalent rainfall rate calculated from the VHF radar is in good agreement with the ground-based measurement of rainfall rate at the same area.

Hung, R. J.↗