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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

1,25 (OH)2D3 enhances PTH-induced Ca2+ transients in preosteoblasts by activating L-type Ca2+ channels

We previously demonstrated electrophysiologically that 1,25-dihydroxyvitamin D3 [1,25(OH)2D3] shifts the activation threshold of L-type Ca2+ channels in osteoblasts toward the resting potential and prolongs mean open time. Presently, we used single-cell Ca2+ imaging to study the combined effects of 1,25(OH)2D3 and parathyroid hormone (PTH) during generation of Ca2+ transients in fura 2-loaded MC3T3-E1 cells. Pretreatment with 1,25(OH)2D3 concentrations, which alone did not produce Ca2+ transients, consistently enhanced Ca2+ responses to PTH. Enhancement was dose dependent over the range of 1 to 10 nM and was blocked by pretreatment with 5 microM nitrendipine during pretreatment. A 1,25(OH)2D3 analog that activates L-type channels and shifts their activation threshold also enhanced PTH responses. In contrast, an analog devoid of membrane Ca2+ effects did not enhance PTH-induced Ca2+ transients. The PTH-induced Ca2+ transient involved activation of a dihydropyridine-insensitive cation channel that was inhibited by Gd3+. Together, these data suggest that 1,25(OH)2D3 increases osteoblast responsiveness to PTH through rapid modification of L-type Ca2+ channel gating properties, whose activation enhances Ca2+ entry through other channels such as the PTH-responsive, Gd(3+)-sensitive cation channel.

Non-NASA Center↗
NASA NTRS2004

Search for the OH (X(2)Pi) Meinel band emission in meteors as a tracer of mineral water in comets: detection of N(2)(+) (A-X)

We report the discovery of the N(2)(+) A-X Meinel band in the 780-840 nm meteor emission from two Leonid meteoroids that were ejected less than 1000 years ago by comet 55P/Tempel-Tuttle. Our analysis indicates that the N(2)(+) molecule is at least an order of magnitude less abundant than expected, possibly as a result of charge transfer reactions with meteoric metal atoms. This new band was found while searching for rovibrational transitions in the X(2)Pi electronic ground state of OH (the OH Meinel band), a potential tracer of water bound to minerals in cometary matter. The electronic A-X transition of OH has been identified in other Leonid meteors. We did not detect this OH Meinel band, which implies that the excited A state is not populated by thermal excitation but by a mechanism that directly produces OH in low vibrational levels of the excited A(2)Sigma state. Ultraviolet dissociation of atmospheric or meteoric water vapor is such a mechanism, as is the possible combustion of meteoric organics.

Meteoroids↗
NASA NTRS2017

High-Resolution OH and CH2O Visualization in a Premixed Cavity-Anchored Ethylene-Air Flame in a M = 0.6 Flowfield

OH and CH2O were imaged in a premixed, cavity-anchored, ethylene-air turbulent flame using a high resolution planar laser-induced fluorescence (PLIF) system. The electrically-heated, continuous flow facility (UVa Supersonic Combustion Facility, Configuration E) consisted of a Mach 2 nozzle, an isolator with fuel injectors, a test section with a cavity flame holder and optical access, and an extender. Standard test conditions comprised total temperature 1200 K, total pressure 300 kPa, local equivalence ratio near 0.4, and local Mach number near 0.6. OH PLIF data was also collected for a case with reduced total temperature and another with reduced equivalence ratio. OH and CH2O were excited in separate experiments with light sheets at 283.55 nm and 352.48 nm, respectively. A light sheet of approximate thickness 25 ?m illuminated the stream-wise midplane. This plane was imaged for 120 mm downstream of the backward-facing step. The intensified camera system imaged OH with magnification 1.97, a square 6.67 mm field of view, and in-plane resolution of 39 ?m. The smallest observed OH structures observed were approximately 100 ?m wide. The CH2O PLIF image signal was much weaker; the smallest observed structures were approximately 200 ?m wide. Composite fluorescence images were computed for the observed area.

Geipel, Clayton M.↗
NASA NTRSDate not supplied

Enhancing Long-Term Trend Simulation of OH Through the Synergy of Model Simulations and Aura Ozone Monitoring Instrument (OMI) NO 2 and HCHO Retrievals

During the last few years, tremendous progress has been made to develop an efficient parameterization module using agile machine learning techniques. The aim of this module is to provide dynamic response of the tropospheric hydroxyl radical (OH) to its major drivers, including trace gases, aerosols, clouds, and meteorology. This module, named ECCOH (pronounced “echo”) and implemented in NASA’s GEOS-5 global model, offers an unrealized opportunity to unravel the convoluted response of OH to its underlying drivers while approaching the accuracy of full-chemistry without incurring excessive computational costs, making it suitable for climate models. However, the accurate representation of OH in ECCOH poses challenges due to the lack of representation of some of its critical inputs such as the abundance of NO 2 and HCHO concentrations. As such, we leverage the well-characterized satellite observations of NO2 and HCHO columns from Aura OMI to enhance their representation in ECCOH using an optimal interpolation method for the time period of 2005 - present. We show how the inclusion of OMI information can affect the spatiotemporal variability and long-term trends of OH, CO, and CH 4 across the globe. Additionally, we underscore the necessity of obtaining high-fidelity information regarding tropospheric ozone from the southern hemisphere from space, a region currently lacking full verification in models, posing a challenge to get a reasonable amount of chemical sink for CH 4 .

OH↗
DOE OSTI2026

A new layered kagome strip structure Na 2 Co 3 (AsO 4 ) 2 (OH) 2 : static and dynamic magnetic properties

One-dimensional kagome strip chains share much of the same frustrated structural motif as two-dimensional kagome antiferromagnets, making them valuable for deepening our understanding of kagome lattice magnetism. In this paper, we report the hydrothermal synthesis and detailed structural and property characterization of Na 2 Co 3 (AsO 4 ) 2 (OH) 2 , a striped kagome system. The crystal structure was characterized using single crystal X-ray diffraction which reveals that Na 2 Co 3 (AsO 4 ) 2 (OH) 2 crystallizes in monoclinic crystal system C2/m. The structure features a one-dimensional kagome strip lattice built from Co 2+ ions and undergoes an antiferromagnetic transition at T N = 14 K. The magnetic ground state at zero field was characterized using neutron powder diffraction. Below the magnetic transition, Na 2 Co 3 (AsO 4 ) 2 (OH) 2 orders into an antiferromagnetic structure with a k-vector (0.5, 0.5, 0.5). In the proposed model, the Co1 moment is predominantly confined to the ac-plane while the Co2 moment is primarily aligned along the b-axis. Two flat bands were observed in the inelastic neutron spectra below the magnetic transition, 5 and 10 meV. Inelastic neutron spectra were modeled with a Heisenberg Hamiltonian including three nearest-neighbor exchange interactions (J 1 , J 2 , J 3 ) and strong single-ion anisotropy to stabilize the observed magnetic structure. Our study highlights the complexity of Co 2+ -based kagome strip magnetic lattice compound Na 2 Co 3 (AsO 4 ) 2 (OH) 2 which provides an excellent platform to broaden our understanding of the frustrated kagome magnetic lattice space.

Liurukara, Duminda S. [Oak Ridge National Laborato↗
DOE OSTI2025

Acidities of MgO surface sites: implications for the formation mechanism of Mg(OH) 2

The hydroxylation of periclase (MgO) to brucite (Mg(OH) 2 ) is thought to be an important intermediate step when using MgO to capture CO 2 from the atmosphere. However, the mechanism of hydroxylation of MgO to form Mg(OH) 2 is poorly understood. In this work, we used atomic-scale density functional tight binding simulations coupled with the metadynamics rare event method to analyze the surface chemistry of MgO and the acid dissociation equilibrium constants (pK a ) of its surface sites. The method and parameters were validated by calculating the pK a for hydroxylation of the first shell water bound to aqueous Mg 2+ ion. The pK a value derived using a probabilistic method was 12.3, which is in fair agreement with the accepted value of 11.4, with the difference between them equal to a ∼5 kJ mol −1 error in the calculations. We then extended these pK a calculations to probe the hydroxylation reactions of the surface sites of the MgO(100)–water interface, arriving at pK a s of 5.4 to deprotonate terminal water molecules bound to the surface magnesium sites (η-OH 2 or 〉MgOH 2 ), and 13.9 to deprotonate hydroxylated bridging oxygen sites (μ 5 -oxo or 〉O). Hydroxide (OH − ) adsorption on the surface was also probed and found to be less thermodynamically favorable than deprotonation of the terminal water molecule. The plausibility of the computed pK a s was verified using an activity-based speciation model and compared to pH measurements of water equilibrated with MgO nanoparticles and single crystals. The model predicted a solution pH of 7.1 when surface sites buffered and the pH of 12.0 when MgO dissolution dominated. These are close to the experimental initial solution pHs of 7–7.5 and the long term pHs of ∼10.5. The similarity suggests that the calculated pK a values from the DFTB+/metadynamics simulations are plausible and that these methods can be a useful tool to probe reaction mechanisms involving covalent bonds.

Adapa, Sai Krishna Reddy [Oak Ridge National Labor↗
DOE OSTI2024

Polymorphism and phase transitions in layered uranium(VI) hydroxides: Ab initio lattice dynamics simulations of UO 2 (OH) 2

The phase transitions and thermodynamics of stoichiometric α-, β-, and γ-UO 2 (OH) 2 polymorphs are investigated using density functional perturbation theory. The pressure-induced β(Pbca) → α(Cmca) phase transition is reproduced by calculations, with a volume reduction of ΔV/V = -14.7% similar to experiment. Consistent with observation, a temperature-driven γ(P2 1 /c) → β(Pbca) phase transition is predicted near 533 K. At 298.15K, the computed standard molar heat capacity of α-UO 2 (OH) 2 is C p 0 = 112.1 J mol -1 K -1 , only 1.6% smaller than the value of C p 0 = 113.96 ± 0.12 J mol -1 K -1 measured by calorimetry. C p 0 = 112.4 and 104.8 J mol -1 K -1 are predicted for the β- and γ-UO 2 (OH) 2 polymorphs, respectively. The calculated molar enthalpy and Gibbs energy functions of the α-, β-, and γ-UO 2 (OH) 2 polymorphs are also reported.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Identification, characterization, and structure of a tRNA splicing enzyme RNA 5′-OH kinase from the pathogenic fungi Mucorales

Fungal Trl1 is an essential tRNA splicing enzyme composed of C-terminal cyclic phosphodiesterase and central polynucleotide kinase end-healing domains that convert the 2′,3′-cyclic-PO 4 and 5′-OH ends of tRNA exons into the 3′-OH,2′-PO 4 and 5′-PO 4 termini required for sealing by an N-terminal ATP-dependent ligase domain. Trifunctional Trl1 enzymes are present in most human fungal pathogens and are untapped targets for antifungal drug discovery. Mucorales species, deemed high-priority human pathogens by WHO, elaborate a noncanonical tRNA splicing apparatus in which a stand-alone monofunctional RNA ligase enzyme joins 3′-OH,2′-PO 4 and 5′-PO 4 termini. Here we identify a stand-aloneMucor circinelloidespolynucleotide kinase (MciKIN) and affirm its biological activity in tRNA splicing by genetic complementation in yeast. Recombinant MciKIN catalyzes magnesium-dependent phosphorylation of 5′-OH RNA and DNA ends in vitro. MciKIN displays a strong preference for GTP as the phosphate donor in the kinase reaction, a trait shared with the stand-alone RNA kinase homologs from Mucorales speciesRhizopus azygosporus(RazKIN) andLichtheimia corymbifera(LcoKIN) and with the kinase domains of fungal Trl1 enzymes. We report a 1.65 Å crystal structure of RazKIN in complex with GDP•Mg 2+ that illuminates the basis for guanosine nucleotide specificity.

Biochemistry & Molecular Biology↗
NASA NTRS1974

Accurate positions of OH sources

The Owens Valley interferometer was used at 1665, 1667, and 1720 MHz to measure the positions of eleven OH emission sources. The 1720-MHz OH source in W3 (continuum) was found to be 40 seconds away from the H2O maser source and was found not to coincide with any radio or infrared feature. Two OH emission sources were found in NGC 7538; one is identifiable with a very compact radio infrared source, while the other, 80 seconds to the south, is as yet unidentified. The OH sources 0739-14 and Sharpless 269 also coincide with infrared sources.

Wynn-Williams, C. G.↗
NASA NTRS1975

Lifetimes for OH and OD electronic states with resonance transitions in the region between 1700 and 1950 A

The upper states of the OH and OD bands in the region between 1700 and 1950 A have been studied with a phase-shift radiative lifetime apparatus. Lifetimes varying from 1.8 to 2.9 ns have been found. Lifetimes for OH and OD are essentially the same, indicating that the upper states are likely to be depopulated via purely radiative processes under the present experimental conditions. Lifetimes have also been obtained for the C(2)Sigma(+) - A(2)Sigma(+) transition in OH and OD. These results are consistent with the preliminary analysis of Pryce (private communication) that the bands between 1700 and 1950 A in OH are partly due to the C(2)Sigma(+) - X(2)Pi sub i transition.

Smith, W. H.↗
NASA NTRS1979

Boundary layer measurements of the OH radical in the vicinity of an isolated power plant plume - SO2 and NO2 chemical conversion times

Direct measurements of the OH radical in the vicinity of an isolated power plant plume are reported. These measurements were used to estimate the conversion time of SO2 to H2SO4-sulfate aerosol via the initiating step OH + SO2 + M yields HSO3. Using the near-high-noon measured value of OH (9.5 million per cu cm), resulted in a 1/e conversion time of 1.4 days. The latter lifetime would correspond to a conversion rate of about 2%/hr. When the lifetime calculation was modified to take into consideration the OH diurnal cycle, the 1/e conversion time for SO2 was found to be 4.4 days, giving an apparent overall rate of conversion of about 0.7%/hr. Similar calculations carried out for the conversion of NO2 to NHO3 resulted in 1/e lifetimes for NO2 of 2-3 h for midday time periods.

Davis, D. D.↗
NASA NTRS1980

Production of OH from photolysis of HOCl at 307-309 nm

Laser-induced fluorescence has been used to measure the amount of OH produced in the laser photolysis of HOCl at 310 nm. The HOCl was generated by the Cl2O + H2O and by the HCl + Cl2O reactions. The laser technique samples OH on a microsecond time scale so that secondary radical reactions cannot contribute significantly to the observed signals. The fluorescence signals were calibrated with O3-H2O mixtures, the reactions O3 + h(nu) yields O(1D) + O2 and O(1D) + H2O yields 2OH yielding known amounts of OH. The value for the absorption cross section of HOCl at 310 nm has been determined to be 6 x 10 to the -20th sq cm, assuming K(eq) = 0.082 for the Cl2O + H2O yields 2HOCl system and assuming unit quantum yield for the production of OH. The present investigation further supports earlier experimental work concluding that HOCl will photodissociate rapidly and will not be an important holding tank for chlorine in the stratosphere. These results are in disagreement with theoretical calculations of the UV absorption spectrum of HOCl in the 300-350-nm wavelength region.

Molina, M. J.↗
NASA NTRS1981

A theoretical assessment of the O3/H2O interference problem in the detection of natural levels of OH via laser induced fluorescence

Theoretical calculations are presented which estimate the possible magnitude of the O3/H2O derived OH interference signal resulting from the use of the laser-induced fluorescence technique in measuring natural levels of tropospheric OH. Critical to this new assessment has been the measurement of the nascent OH quantum state distribution resulting from the reaction O(1D) + H2O yields 2OH, and an assessment of the subsequent rotational relaxation of the OH species when formed in high k levels.

Davis, D. D.↗
NASA NTRS1981

Ozone photochemistry and OH - A two-dimensional model study

Recent measurements of key HO(x) reaction rates are presented which imply that OH concentrations at altitudes below 30 km are lower than those predicted by current photochemical models. The consequences of the lower OH abundances are examined with respect to calculated perturbations of ozone by added nitrogen oxides, chlorine, and water vapor. Consideration is also given to the perturbation of stratospheric ozone by continuing release of chlorofluoromethanes in light of the new HO(x) reaction rates. The ozone loss is found to be reduced by about 25% compared with earlier estimates, mainly because the reduced OH abundance below 30 km slows the reaction between OH and HCl.

Whitten, R. C.↗
NASA NTRS1983

Relative rate constants for the reactions of atomic oxygen with HO2 anad OH radicals

Relative rate constants for the reactions O + HO2 - OH + O2 (1) and O + OH - H + O2 (2) were obtained by using the discharge-flow resonance fluorescence technique at 2 torr total pressure and 299 K. HO2 radicals were generated by reacting atomic hydrogen with an excess of O2. Quasi-steady-state concentrations of OH and HO2 were established in the presence of excess atomic oxygen. Observed concentration ratios, namely the ratio of the OH concentration to the HO2 concentration, resulted in a value of 1.7 + or 0.2 for k1/k2. The error limits are twice the standard deviation obtained from the data analysis. Overall experimental error is estimated to be + or - 25 percent. This result confirms earlier direct measurements of k1 and k2 which required knowledge of absolute radical or atomic oxygen concentrations.

Keyser, L. F.↗
NASA NTRS1983

Remote sensing of OH in the atmosphere using the technique of laser-induced fluorescence

The use of a laser-induced fluorescence technique for the sensitive measurement of the atmospheric hydroxyl radical is discussed. Results of laboratory studies of the fluorescence and other spectroscopic properties of OH which allow the calculation of OH concentrations from the returned signals for various altitudes, water vapor contents and temperatures are presented. The experimental setup used for airborne OH measurements is then described, with particular attention given to the use of a telescope for excitation and light collection in a coaxial configuration and the periodic tuning of the exciting radiation necessary to obtain an OH signal in the presence of strong solar and nonresonant fluorescence backgrounds. The best detection limit obtained to date with the system is noted to be about 700,000 OH/cu cm, and it is expected that, with planned improvements in detection and tuning schemes, limits in the neighborhood of 1,000,000 OH/cu cm will be achieved routinely.

Wang, C. C.↗
NASA NTRS1983

Vibration-rotation line strengths of the gas-phase OH radical

Absorption line strengths have been measured at 295 K for the first time for four vibration-rotation transitions of the OH radical, using a tunable, infrared diode-laser in conjunction with a molecular modulation spectrometer. A periodically varying OH concentration was created by photolysis, using a sinusoidally modulated 2537-A Hg lamp, of a flowing mixture of O3 and H2O contained within a quartz-walled White cell. The modulated absorption owing to the OH radical was subsequently observed by phase-sensitive detection. The absolute modulation amplitude of the OH number density was obtained by numerical simulation of the complete time-dependent photochemical system. The strongest transition measured was at 3407.607 kaysers, with a strength of 3.3 + or - 1.5 x 10 to the -20th per(cm molecule) sq cm.

Podolske, J.↗
NASA NTRS1985

Highly supersonic bipolar mass ejection from a red giant OH/IR source - OH 0739 - 14

From long-slit spectrophotometry of the bipolar nebula associated with the unusual OH source, OH 0739 - 14, the presence of a blue companion to the M9 III central star was shown and a Herbig-Haro-like knot beyond each nebular lobe was discovered. From differential colors of the lobes and from radial velocities of these knots it was demonstrated that the system inclines its northern lobe in the forward direction. It was also shown that the nebulous knots are shocks being driven into an extensive circumstellar envelope, and that this material is very overabundant in nitrogen, suggesting that it is matter lost from a star of mass greater than 3 solar masses. A model of biconical ejection from a central binary is consistent with the OH observations, and a possible relation of OH 0739 - 14 to the symbiotic stars and to bipolar planetary nebulae is suggested.

Cohen, M.↗