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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation

Carbohydrate recognition by lectins governs critical host-microbe interactions. MpPA14 (Marinomonas primoryensis PA14 domain) lectin is a domain of a 1.5-MDa adhesin responsible for a symbiotic bacterium-diatom interaction in Antarctica. Here, we show that MpPA14 binds various monosaccharides, with l-fucose and N-acetylglucosamine being the strongest ligands (dissociation constant [K d ], ~150 μM). High-resolution structures of MpPA14 with 15 different sugars bound elucidated the molecular basis for the lectin’s apparent binding promiscuity but underlying selectivity. MpPA14 mediates strong Ca 2+ -dependent interactions with the 3,4-diols of l-fucopyranose and glucopyranoses, and it binds other sugars via their specific minor isomers. Thus, MpPA14 only binds polysaccharides like branched glucans and fucoidans with these free end groups. Consistent with our findings, adhesion of MpPA14 to diatom cells was selectively blocked by l-fucose, but not by N-acetyl galactosamine. The MpPA14 lectin homolog present in a Vibrio cholerae adhesin was produced and was shown to have the same sugar binding preferences as MpPA14. The pathogen’s lectin was unable to effectively bind the diatom in the presence of fucose, thus demonstrating the antiadhesion strategy of blocking infection via ligand-based antagonists.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1977

Computer program to simulate Raman scattering

A computer program is described for simulating the vibration-rotation and pure rotational spectrum of a combustion system consisting of various diatomic molecules and CO2 as a function of temperature and number density. Two kinds of spectra are generated: a pure rotational spectrum for any mixture of diatomic and linear triatomic molecules, and a vibrational spectrum for diatomic molecules. The program is designed to accept independent rotational and vibrational temperatures for each molecule, as well as number densities.

Zilles, B.↗
NASA NTRS1977

Evaluation of hydrogen as a cryogenic wind tunnel test gas

The nondimensional ratios used to describe various flow situations in hydrogen were determined and compared with the corresponding ideal diatomic gas ratios. The results were used to examine different inviscid flow configurations. The relatively high value of the characteristic rotational temperature causes the behavior of hydrogen, under cryogenic conditions, to deviate substantially from the behavior of an ideal diatomic gas in the compressible flow regime. Therefore, if an idea diatomic gas is to be modeled, cryogenic hydrogen is unacceptable as a wind tunnel test gas in a compressible flow situation.

Haut, R. C.↗
NASA NTRS1986

Concentration independent absolute intensity determinations A new method

Attention is given to the means for obtaining, independently of any data on molecular concentration, the absolute intensity determinations on the basis of relative line intensity measurements conducted across the vibration-rotation band of a diatomic molecule. This approach is important for the vibrational fundamental bands of diatomic molecules, which cannot be studied by the lifetime method; its application will be especially significant in the case of diatomic radical species whose concentrations can only be indirectly inferred.

Chackerian, C., Jr.↗
NASA NTRS1989

Theoretical study of the structures and electron affinities of the dimers and trimers of the group IB metals (Cu, Ag, and Au)

The molecular structure of both the neutral and negatively charged diatomic and triatomic systems containing the Cu, Ag, and Au metals are determined from ab initio calculations. For the neutral triatomic systems, the lowest energy structure is found to be triangular. The relative stability of the 2A1 and 2B2 structures can be predicted simply by knowing the constituent diatomic bond distances and atomic electron affinities (EAs). The lowest energy structure is linear for all of the negative ions. For anionic clusters containing Au, the Au atom(s) preferentially occupy the terminal position(s). The EAs of the heteronuclear systems can be predicted relatively accurately from a weighted average of the corresponding homonuclear systems. Although the theoretical EAs are systematically too small, accurate predictions for the EAs of the triatomics are obtained by uniformly scaling the ab initio results using the accurate experimental EA values available for the atoms and homonuclear diatomics.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1990

Non-Abelian geometric phase and long-range atomic forces

It is shown how gauge fields, or geometric phases, manifest as observable effects in both bound and free diatom systems. It is shown that, in addition to altering energy splittings in bound systems, geometric phases induce transitions in levels separated by a finite-energy gap. An example is given where the non-Abelian gauge field couples nondegenerate electronic levels in a diatom. This gauge-field coupling gives rise to an observable effect. It is shown that when the diatom is 'pulled apart', the non-Abelian geometric phase manifests as a long-range atomic force.

Zygelman, B.↗
NASA NTRS1991

Vibrational relaxation and dissociation in nitrogen

Calculations of the vibrational and dissociation transition probabilities are made for N2-N2 and N2-N collisions by means of a semiclassical N-state approximation. The flaws in previous techniques are reviewed, with special attention given to the prediction of overtones. The method presented ignores the effects of molecular rotation and employs a revised extended Rydberg intermolecular potential to describe diatom-diatom and diatom-atom collisions. The collision velocities investigated exhibit probabilities of less than unity by means of the N-state method. The continuum is quantized to treat dissociation, and the collision results demonstrate probability enhancements for V-V-T transitions in both bound-bound and bound-free transitions. The technique is of particular interest for the theoretical modeling of reentry flows such as those encountered in aerobraking maneuvers.

Varghese, Philip L.↗
NASA NTRS2011

Interannual Variation in Phytoplankton Concentration and Community in the Pacific Ocean

Climate events such as El Nino have been shown to have an effect on the biology of our ocean. Because of the lack of data, we still have very little knowledge about the spatial and temporal effect these climate events may have on biological marine systems. In this study, we used the NASA Ocean Biogeochemical Model (NOBM) to assess the interannual variability in phytoplankton community in the Pacific Ocean between 1998 and 2005. In the North Central and Equatorial Pacific Ocean, changes in the Multivariate El Nino Index were associated with changes in phytoplankton composition. The model identified an increase in diatoms of approx.33 % in the equatorial Pacific in 1999 during a La Nina event. This increase in diatoms coincided with a decrease of approx.11 % in cyanobacteria concentration. The inverse relationship between cyanobacteria and diatoms concentration was significant (p<0.05) throughout the period of study. The use of a numerical model allows us to assess the impact climate variability has on key phytoplankton groups known to lead to contrasting food chain at a spatial and temporal resolution unachievable when relying solely on in-situ observations.

Rousseaux, C. S.↗
NASA NTRS2012

Climate Variability and Phytoplankton in the Pacific Ocean

The effect of climate variability on phytoplankton communities was assessed for the tropical and sub-tropical Pacific Ocean between 1998 and 2005 using an established biogeochemical assimilation model. The phytoplankton communities exhibited wide range of responses to climate variability, from radical shifts in the Equatorial Pacific, to changes of only a couple of phytoplankton groups in the North Central Pacific, to no significant changes in the South Pacific. In the Equatorial Pacific, climate variability dominated the variability of phytoplankton. Here, nitrate, chlorophyll and all but one of the 4 phytoplankton types (diatoms, cyanobacteria and coccolithophores) were strongly correlated (p<0.01) with the Multivariate El Nino Southern Oscillation Index (MEI). In the North Central Pacific, MEI and chlorophyll were significantly (p<0.01) correlated along with two of the phytoplankton groups (chlorophytes and coccolithophores). Ocean biology in the South Pacific was not significantly correlated with MEI. During La Nina events, diatoms increased and expanded westward along the cold tongue (correlation with MEI, r=-0.81), while cyanobacteria concentrations decreased significantly (r=0.78). El Nino produced the reverse pattern, with cyanobacteria populations increasing while diatoms plummeted. The diverse response of phytoplankton in the different major basins of the Pacific suggests the different roles climate variability can play in ocean biology.

Rousseaux, Cecile↗
NASA NTRS2012

The Effect of ENSO on Phytoplankton Composition in the Pacific Ocean

The effect of climate variability on phytoplankton communities was assessed for the tropical and sub-tropical Pacific Ocean between 1998 and 2005 using an established biogeochemical assimilation model. The phytoplankton communities exhibited wide range of responses to climate variability, from radical shifts in the Equatorial Pacific, to changes of only a couple of phytoplankton groups in the North Central Pacific, to no significant changes in the South Pacific. In the Equatorial Pacific, climate variability dominated the variability of phytoplankton. Here, nitrate, chlorophyll and all but one of the 4 phytoplankton types (diatoms, cyanobacteria and coccolithophores) were strongly correlated (p less than 0.01) with the Multivariate El Nino Southern Oscillation Index (MEI). In the North Central Pacific, MEI and chlorophyll were significantly (p<0.01) correlated along with two of the phytoplankton groups (chlorophytes and coccolithophores). Ocean biology in the South Pacific was not significantly correlated with MEI. During La Ni a events, diatoms increased and expanded westward along the cold tongue (correlation with MEI, r=-0.81), while cyanobacteria concentrations decreased significantly (r=0.78). El Nino produced the reverse pattern, with cyanobacteria populations increasing while diatoms plummeted. The diverse response of phytoplankton in the different major basins of the Pacific suggests the different roles climate variability can play in ocean biology.

Rousseaux, Cecile↗
NASA NTRS2014

The Role of Phytoplankton Dynamics in the Seasonal and Interannual Variability of Carbon in the Subpolar North Atlantic - a Modeling Study

We developed an ecosystem/biogeochemical model system, which includes multiple phytoplankton functional groups and carbon cycle dynamics, and applied it to investigate physical-biological interactions in Icelandic waters. Satellite and in situ data were used to evaluate the model. Surface seasonal cycle amplitudes and biases of key parameters (DIC, TA, pCO2, air-sea CO2 flux, and nutrients) are significantly improved when compared to surface observations by prescribing deep water values and trends, based on available data. The seasonality of the coccolithophore and "other phytoplankton" (diatoms and dinoflagellates) blooms is in general agreement with satellite ocean color products. Nutrient supply, biomass and calcite concentrations are modulated by light and mixed layer depth seasonal cycles. Diatoms are the most abundant phytoplankton, with a large bloom in early spring and a secondary bloom in fall. The diatom bloom is followed by blooms of dinoflagellates and coccolithophores. The effect of biological changes on the seasonal variability of the surface ocean pCO2 is nearly twice the temperature effect, in agreement with previous studies. The inclusion of multiple phytoplankton functional groups in the model played a major role in the accurate representation of CO2 uptake by biology. For instance, at the peak of the bloom, the exclusion of coccolithophores causes an increase in alkalinity of up to 4 μmol kg(sup −1) with a corresponding increase in DIC of up to 16 μmol kg(sup −1). During the peak of the bloom in summer, the net effect of the absence of the coccolithophores bloom is an increase in pCO2 of more than 20 μatm and a reduction of atmospheric CO2 uptake of more than 6 mmolm(sup −2) d(sup −1). On average, the impact of coccolithophores is an increase of air-sea CO2 flux of about 27 %. Considering the areal extent of the bloom from satellite images within the Irminger and Icelandic Basins, this reduction translates into an annual mean of nearly 1500 tonnes C yr(sup −1).

Earth Resources↗
NASA NTRS2012

Phytoplankton Assemblage Patterns in the Southern Mid-Atlantic Bight

As part of the Wallops Coastal Oceans Observing Laboratory (Wa-COOL) Project, we sampled a time-series transect in the southern Mid-Atlantic Bight (MAB) biweekly. Our 2-year time-series data included physical parameters, nutrient concentrations, and chlorophyll a concentrations. A detailed phytoplankton assemblage structure was examined in the second year. During the 2-year study, chlorophyll a concentration (and ocean color satellite imagery) indicated that phytoplankton blooms occurred in January/February during mixing conditions and in early autumn under stratified conditions. The chlorophyll a concentrations ranged from 0.25 microgram 1(exp -1) to 15.49 microgram 1(exp -1) during the 2-year period. We were able to discriminate approximately 116 different species under phase contrast microscopy. Dominant phytoplankton included Skeletonema costatum, Rhizosolenia spp., and Pseudo-nitzschia pungens. In an attempt to determine phytoplankton species competition/succession within the assemblage, we calculated a Shannon Weaver diversity index for our diatom microscopy data. Diatom diversity was greatest during the winter and minimal during the spring. Diatom diversity was also greater at nearshore stations than at offshore stations. Individual genera appeared patchy, with surface and subsurface patches appearing abruptly and persisting for only 1-2 months at a time. The distribution of individual species differed significantly from bulk variables of the assemblage (chlorophyll a ) and total phytoplankton assemblage (cells), which indicates that phytoplankton species may be limited in growth in ways that differ from those of the total assemblage. Our study demonstrated a highly diverse phytoplankton assemblage throughout the year, with opportunistic species dominating during spring and fall in response to seasonal changes in temperature and nutrients in the southern MAB.

Mid-Atlantic↗
NASA NTRS2015

Theoretical Studies of Spectroscopic Line Mixing in Remote Sensing Applications

The phenomenon of collisional transfer of intensity due to line mixing has an increasing importance for atmospheric monitoring. From a theoretical point of view, all relevant information about the collisional processes is contained in the relaxation matrix where the diagonal elements give half-widths and shifts, and the off-diagonal elements correspond to line interferences. For simple systems such as those consisting of diatom-atom or diatom-diatom, accurate fully quantum calculations based on interaction potentials are feasible. However, fully quantum calculations become unrealistic for more complex systems. On the other hand, the semi-classical Robert-Bonamy (RB) formalism, which has been widely used to calculate half-widths and shifts for decades, fails in calculating the off-diagonal matrix elements. As a result, in order to simulate atmospheric spectra where the effects from line mixing are important, semi-empirical fitting or scaling laws such as the ECS (Energy-Corrected Sudden) and IOS (Infinite-Order Sudden) models are commonly used. Recently, while scrutinizing the development of the RB formalism, we have found that these authors applied the isolated line approximation in their evaluating matrix elements of the Liouville scattering operator given in exponential form. Since the criterion of this assumption is so stringent, it is not valid for many systems of interest in atmospheric applications. Furthermore, it is this assumption that blocks the possibility to calculate the whole relaxation matrix at all. By eliminating this unjustified application, and accurately evaluating matrix elements of the exponential operators, we have developed a more capable formalism. With this new formalism, we are now able not only to reduce uncertainties for calculated half-widths and shifts, but also to remove a once insurmountable obstacle to calculate the whole relaxation matrix. This implies that we can address the line mixing with the semi-classical theory based on interaction potentials between molecular absorber and molecular perturber. We have applied this formalism to address the line mixing for Raman and infrared spectra of molecules such as N2, C2H2, CO2, NH3, and H2O. By carrying out rigorous calculations, our calculated relaxation matrices are in good agreement with both experimental data and results derived from the ECS model.

Formalism↗
NASA NTRS2020

Community Composition and Photosynthetic Physiology of Phytoplankton in the Western Subarctic Pacific Near the Kuril Islands With Special Reference to Iron Availability

The western subarctic Pacific (WSP) is known as one of the most productive regions among the world's oceans in spring. However, its oceanic waters are also known as a high‐nutrient, low‐chlorophyll region during summer due to low iron (Fe) availability in seawater. Indeed, recent studies have demonstrated that the distribution of Fe in the WSP is complex and heterogeneous. This study thus investigated the effects of Fe availability on the community composition and photophysiology of surface phytoplankton from coastal to offshore waters in the WSP in the summer of 2014. Although relatively high concentrations (>2 mg/m3) of chlorophyll (chl) a were found in the Sea of Okhotsk and some coastal waters, low chl a concentrations (<1 mg/m3) were commonly observed in offshore waters. Based on dissolved Fe and macronutrient concentrations, we deduced that low Fe availability limited phytoplankton growth in offshore waters, whereas low silicate and/or nitrate levels limited growth in the shelf areas. Scanning electron microscopy also revealed that the centric diatom Chaetoceros exclusively dominated the diatom assemblages in the shelf and coexisted with pennate diatoms in offshore waters, respectively. Primary productivity in surface waters was negatively correlated with the bottom of the euphotic layer or the light saturation index of the photosynthesis‐irradiance curve, which indicates that the phytoplankton assemblages were well acclimated to in situ light conditions regardless of the water masses.

Yoshida, Kazuhiro↗
DOE OSTI2022

Vibrational levels of a generalized Morse potential

A Generalized Morse Potential (GMP) is an extension of the Morse Potential (MP) with an additional exponential term and an additional parameter that compensate for MP’s erroneous behavior in the long range part of the interaction potential. Because of the additional term and parameter, the vibrational levels of the GMP cannot be solved analytically, unlike the case for the MP. We present several numerical approaches for solving the vibrational problem of the GMP based on Galerkin methods, namely, the Laguerre Polynomial Method (LPM), the Symmetrized LPM, and the Polynomial Expansion Method (PEM), and apply them to the vibrational levels of the homonuclear diatomic molecules B 2 , O 2 , and F 2 , for which high level theoretical near full configuration interaction (CI) electronic ground state potential energy surfaces and experimentally measured vibrational levels have been reported. Overall, the LPM produces vibrational states for the GMP that are converged to within spectroscopic accuracy of 0.01 cm –1 in between 1 and 2 orders of magnitude faster and with much fewer basis functions/grid points than the Colbert–Miller Discrete Variable Representation (CN-DVR) method for the three homonuclear diatomic molecules examined in this study.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

Secular change in chert distribution: a reflection of evolving biological participation in the silica cycle

In the modern oceans, the removal of dissolved silica from sea water is principally a biological process carried out by diatoms, with lesser contributions from radiolaria, silicoflagellates, and sponges. Because such silica in sediments is often redistributed locally during diagenesis to from nodular or bedded chert, stratigraphic changes in the facies distribution of early diagenetic chert provide important insights into the development of biological participation in the silica cycle. The abundance of chert in upper Proterozoic peritidal carbonates suggests that at this time silica was removed from seawater principally by abiological processes operating in part of the margins of the oceans. With the evolution of demosponges near the beginning of the Cambrian Period, subtidal biogenetic cherts became increasingly common, and with the Ordovician rise of radiolaria to ecological and biogeochemical prominence, sedimented skeletons became a principal sink for oceanic silica. Cherts of Silurian to Cretaceous age share many features of facies distribution and petrography but they differ from Cenozoic siliceous deposits. These differences are interpreted to reflect the mid-Cretaceous radiation of diatoms and their subsequent rise to domination of the silica cycle. Biogeochemical cycles provide an important framework for the paleobiological interpretation of the organisms that participate in them.

Non-NASA Center↗
DOE OSTI2020

Reused cultivation water from a self-inhibiting alga does not inhibit other algae but alters their microbiomes

Economical production of algal commodities (food, feed, and fuels) requires reusing cultivation water to reduce operating costs. While some algae strains show growth inhibition in reused water, other strains appear un-affected. Reusing water to grow different strains (i.e., crop rotation) could potentially improve overall biomass production compared to water reuse with the same strain by reducing accumulation of strain-specific waste products, limiting carryover of population-specific pathogens such as viruses, and introducing bacteria that degrade residual organic matter. Here, batch culture experiments tested the effects of reused cultivation water from the self-inhibiting diatom Staurosira sp. C323 on the diatom Navicula sp. SFP and green alga Chlorella sp. D046, as well as their microbiomes. Navicula sp. and Chlorella sp. grew well in Staurosira sp. reused water, indicating that previously observed self-inhibition was likely specific to this Staurosira strain. While algal mi-crobiomes were not significantly different between controls and reused water treatments, specific bacteria taxa were differentially abundant in reused treatments, suggesting that some taxa responded to compounds re-maining in the reused water. Finally, results suggest that algae growth responses in reused water may depend largely on strain-specific factors, and that crop rotation can support biomass production.

09 BIOMASS FUELS↗