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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Effects of non-thermal termolecular reactions on wedge-induced oblique detonation waves

The shock-induced combustion ramjet (Shcramjet) based on oblique detonation waves (ODWs) is among the promising choices for hypersonic propulsion systems. An understanding of the ignition, propagation, and stability of ODWs is critical to harnessing their propulsive potential. In such high speed reacting flows, there is a high probability of occurrence of non-thermal reactions due to the presence of non-trivial amounts of highly reactive radicals including H, O and OH apart from O 2 as demonstrated recently [M. P. Burke, S. J. Klippenstein, Nat. Chem. 9 (2017) 1078–1082, Y. Tao, A. W. Jasper, Y. Georgievskii, S. J. Klippenstein, R. Sivaramakrishnan, Proc. Combust. Inst. 38 (2021) 515–522]. The present work focuses on examining the initiation, propagation and structure of oblique detonation waves in stoichiometric H 2 -air mixtures through numerical simulations with and without non-thermal reactivity on a two-dimensional adaptive grid. Non-thermal reactions were included in the macroscopic kinetic model as chemically termolecular reactions facilitated by the H + OH radical-radical recombination and the H + O 2 radical-molecule association reactions. Since, the non-thermal reactions result in a corresponding decrease in the reaction fluxes of the incipient recombination/association reactions, an additional simulation was performed by applying corrections to the respective incipient recombination/association rate constants using the methodology demonstrated by Tao et al. [Y. Tao, A. W. Jasper, Y. Georgievskii, S. J. Klippenstein, R. Sivaramakrishnan, Proc. Combust. Inst. 38 (2021) 515–522]. Results show that, under ODWE relevant conditions, non-thermal reactivity fundamentally alters the induction length, intensity as well as the structure of the ODW. Specifically, it is found that non-thermal reactivity leads to a noticeable reduction in initiation length and a simultaneous increase in instantaneous peak heat release rate and the degree of unsteadiness of the ODW. Finally, statistical analysis of key thermo-chemical variables is performed to elucidate the important species as well as reactions responsible for the observed variations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione as an inhibitor scaffold of HIV reverase transcriptase: Impacts of the 3-OH on inhibiting RNase H and polymerase

3-Hydroxypyrimidine-2,4-dione (HPD) represents a versatile chemical core in the design of inhibitors of human immunodeficiency virus (HIV) reverse transcriptase (RT)-associated RNase H and integrase strand transfer (INST). We report herein the design, synthesis and biological evaluation of an HPD subtype (4) featuring a cyclohexylmethyl group at the C-6 position. Antiviral testing showed that most analogues of 4 inhibited HIV-1 in the low nanomolar to submicromolar range, without cytotoxicity at concentrations up to 100 μM. Biochemically, these analogues dually inhibited both the polymerase (pol) and the RNase H functions of RT, but not INST. Co-crystal structure of 4a with RT revealed a nonnucleoside RT inhibitor (NNRTI) binding mode. Interestingly, chemotype 11, the synthetic precursor of 4 lacking the 3-OH group, did not inhibit RNase H while potently inhibiting pol. Here, by virtue of the potent antiviral activity and biochemical RNase H inhibition, HPD subtype 4 could provide a viable platform for eventually achieving potent and selective RNase H inhibition through further medicinal chemistry.

3-Hydroxypyrimidine-2,4-dione (HPD)↗
DOE OSTI2020

An improved detailed chemical kinetic model for C3-C4 linear and iso-alcohols and their blends with gasoline at engine-relevant conditions

Propanol and butanol isomers have received significant research attention as promising fuel additives or neat biofuels. Robust chemical kinetic models are needed that can provide accurate and efficient predictions of combustion performance across a wide range of engine relevant conditions. Herein, this study seeks to improve the understanding of ignition and combustion behavior of pure C3-C4 linear and iso-alcohols, and their blends with gasoline at engine-relevant conditions. In this work, a kinetic model with improved thermochemistry and reaction kinetics was developed based on recent theoretical calculations of H-atom abstraction and peroxy radical reaction rates. Kinetic model validations are reported, and the current model reproduces the ignition delay times of the C3 and C4 alcohols well. Variations in reactivity over a wide range of temperatures and other operating conditions are also well predicted by the current model. Recent ignition delay time measurements from a rapid compression machine of neat iso-propanol and iso-butanol [Cheng et al., Proc. Combust Inst. (2020)] and blends with a research grade gasoline [Goldsborough et al., Proc. Combust Inst. (2020)] at elevated pressure (20–40 bar) and intermediate temperatures (780–950 K) were used to demonstrate the accuracy of the current kinetic model at conditions relevant to boosted spark-ignition engines. The effects of alcohol blending with gasoline on the autoignition behavior are discussed. The current model captures the suppression of reactivity in the low-temperature and negative-temperature-coefficient (NTC) region when either isopropanol and isobutanol are added to a research grade gasoline. Sensitivity and reaction flux analysis were performed to provide insights into the relevant fuel chemistry of the C3-C4 alcohols.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Metabolic rewiring and biomass redistribution enable optimized mixotrophic growth in Chlamydomonas

Aquatic photosynthetic systems account for approximately one-half of all global carbon assimilation and could be a significant source of renewable fuels and feedstocks. However, rapid growth and biomass production in algae have not always translated into high product yields, partly because central metabolism is context specific, with metabolic fluxes being influenced by nutrient conditions and other environmental factors. In the green microalga Chlamydomonas reinhardtii (Chlamydomonas), mixotrophic cultures (acetate + light) grow far faster than phototrophic (light only) or heterotrophic (acetate + dark) cultures, even though acetate partially suppresses photosynthesis. Here, an isotopic dilution strategy with unlabeled acetate was combined with 13 CO 2 transient labeling to perform isotopically nonstationary metabolic flux analysis (INST-MFA) and to directly compare autotrophic and mixotrophic metabolism in Chlamydomonas supported by data from transcriptomics, proteomics, and metabolomics. INST-MFA indicated that acetate induces a synergistic rewiring of metabolism, conserving carbon by using the glyoxylate cycle and suppressing gluconeogenesis, the latter of which was discordant with omics results and prior models. Additionally, our data provide a plausible rationale for the well-known suppression of photosynthesis by acetate. We propose that reduced total protein content in mixotrophic versus phototrophic cells, much of which is attributed to reduced levels of photosynthetic proteins, decreases the costly metabolic burden of protein synthesis and represents a growth rate optimization strategy.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Isotopically nonstationary metabolic flux analysis of plants: recent progress and future opportunities

Metabolic flux analysis (MFA) is a valuable tool for quantifying cellular phenotypes and to guide plant metabolic engineering. By introducing stable isotopic tracers and employing mathematical models, MFA can quantify the rates of metabolic reactions through biochemical pathways. Recent applications of isotopically nonstationary MFA (INST–MFA) to plants have elucidated nonintuitive metabolism in leaves under optimal and stress conditions, described coupled fluxes for fast–growing algae, and produced a synergistic multi–organ flux map that is a first in MFA for any biological system. Finally, these insights could not be elucidated through other approaches and show the potential of INST–MFA to correct an oversimplified understanding of plant metabolism.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

A Measurement of the Cosmic Microwave Background B-mode Polarization Power Spectrum at Subdegree Scales from Two Years of polarbear Data

We report an improved measurement of the cosmic microwave background B-mode polarization power spectrum with the Polarbear experiment at 150 GHz. By adding new data collected during the second season of observations (2013–2014) to re-analyzed data from the first season (2012–2013), we have reduced twofold the band-power uncertainties. The band powers are reported over angular multipoles 500⩽ℓ⩽2100, where the dominant B-mode signal is expected to be due to the gravitational lensing of E-modes. We reject the null hypothesis of no B-mode polarization at a confidence of 3.1σ including both statistical and systematic uncertainties. We test the consistency of the measured B-modes with the Λ Cold Dark Matter (ΛCDM) framework by fitting for a single lensing amplitude parameter A {sub L} relative to the Planck 2015 best-fit model prediction. We obtain A{sub L}=0.60{sub −0.24}{sup +0.26}(stat){sub −0.04}{sup +0.00}(inst) ± 0.14(foreground) ± 0.04(multi), where A{sub L}=1 is the fiducial ΛCDM value.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2013

Commercial Parts Technology Qualification Processes

Many high-reliability systems, including space systems, use selected commercial parts (including Plastic Encapsulated Microelectronics or PEMs) for unique functionality, small size, low weight, high mechanical shock resistance, and other factors. Predominantly this usage is subjected to certain 100% tests (typically called screens) and certain destructive tests usually (but not always) performed on the flight lot (typically called qualification tests). Frequently used approaches include those documented in EEE-INST-002 and JPL DocID62212 (which are sometimes modified by the particular aerospace space systems manufacturer). In this study, approaches from these documents and several space systems manufacturers are compared to approaches from a launch systems manufacturer (SpaceX), an implantable medical electronics manufacturer (Medtronics), and a high-reliability transport system process (automotive systems). In the conclusions section, these processes are outlined for all of these cases and presented in tabular form. Then some simple comparisons are made. In this introduction section, the PEM technology qualification process is described, as documented in EEE-INST-002 (written by the Goddard Space Flight Center, GSFC), as well as the somewhat modified approach employed at the Jet Propulsion Laboratory (JPL). Approaches used at several major NASA contractors are also described

Cooper, Mark S.↗
NASA NTRS2018

A Global Spatially Contiguous Solar-Induced Fluorescence (CSIF) Dataset Using Neural Networks

Satellite-retrieved solar-induced chlorophyll fluorescence (SIF) has shown great potential to monitor the photosynthetic activity of terrestrial ecosystems. However, several issues, including low spatial and temporal resolution of the gridded datasets and high uncertainty of the individual retrievals, limit the applications of SIF. In addition, inconsistency in measurement footprints also hinders the direct comparison between gross primary production (GPP) from eddy covariance (EC) flux towers and satellite-retrieved SIF. In this study, by training a neural network (NN) with surface reflectance from the MODerate-resolution Imaging Spectroradiometer (MODIS) and SIF from Orbiting Carbon Observatory-2 (OCO-2), we generated two global spatially contiguous SIF (CSIF) datasets at moderate spatiotemporal (0.05° 4-day) resolutions during the MODIS era, one for clear-sky conditions (2000–2017) and the other one in all-sky conditions (2000–2016). The clear-sky instantaneous CSIF (CSIF(sub clear-inst)) shows high accuracy against the clear-sky OCO-2 SIF and little bias across biome types. The all-sky daily average CSIF (CSIF(sub all-daily)) dataset exhibits strong spatial, seasonal and interannual dynamics that are consistent with daily SIF from OCO-2 and the Global Ozone Monitoring Experiment-2 (GOME-2). An increasing trend (0.39 %) of annual average CSIFall-daily is also found, confirming the greening of Earth in most regions. Since the difference between satellite-observed SIF and CSIF is mostly caused by the environmental down-regulation on SIF(sub yield), the ratio between OCO-2 SIF and CSIF(sub clear-inst) can be an effective indicator of drought stress that is more sensitive than the normalized difference vegetation index and enhanced vegetation index. By comparing CSIF(sub all-daily) with GPP estimates from 40 EC flux towers across the globe, we find a large cross-site variation (c.v. = 0.36) of the GPP–SIF relationship with the highest regression slopes for evergreen needleleaf forest. However, the cross-biome variation is relatively limited (c.v. = 0.15). These two contiguous SIF datasets and the derived GPP–SIF relationship enable a better understanding of the spatial and temporal variations of the GPP across biomes and climate.

Zhang, Yao↗
NASA NTRSDate not supplied

Evaluation of Automotive Grade Resistors for Space Flight

Over the past decade, electronic, electrical, and electromechanical (EEE) parts for space applications have undergone significant changes, largely driven by CubeSat and commercial space developers pushing the boundaries on the utilization of commercial parts in space. Global product shortages and shipping delays are still impacting space flight project deadlines. Many projects have turned to automotive grade resistors as an alternate to their MIL-SPEC counterparts to fulfill requirements. In addition, automotive grade resistors may offer designers a wider range of parts to consider. A recent NASA study recommended the use of high-volume manufactured commercial components for space applications provided these components show evidence of stringent fabrication controls and thorough reliability monitoring practices [1]. Automotive grade components have stringent qualification requirements per the Automotive Electronic Council (AEC). However, the end user usually does not have insight into the practices the manufacturer may use to reduce/eliminate infant mortality nor for compliance to all datasheet specifications. Screening, Life and Accelerated Life testing on a set of standard automotive-grade chip resistors is proposed to evaluate the reliability of these components. Requirements from both the AEC-Q (Automotive Electronic Council Qualification) and EEE-INST-002 (Instructions for EEE Parts Selection, Screening, Qualification, and Derating) for resistors is compared and discussed. The resistors have been tested by using a modified methodology from EEE-INST-002 to evaluate their reliability for space flight projects. The findings of this study indicate that the underlying degradation mechanisms at rated temperature and power are best represented by power law models with a fitted exponent between 0 and 1. A linear model is more conservative which compensates for potential model uncertainty given the wide range of design and materials used in automotive resistors, while still providing useful long-term resistance drift estimates. No electrical anomalies or failures were observed throughout the 1,000-hour Life Tests other than small in tolerance resistance drift aging. Degradation models were utilized to quantify and extrapolate the long-term resistance drift under operating conditions for the components. The models demonstrated that some automotive-grade resistors are likely to operate 10 years at nominal usage conditions while others might fail earlier.

Zainab Abdullahi↗
DOE OSTI2012

Digital I and C system upgrade integration technique

This work developed an integration technique for digital I and C system upgrade, the utility can replace the I and C systems step by step systematically by this method. Inst. of Nuclear Energy Research (INER) developed a digital Instrumentation and Control (I and C) replacement integration technique on the basis of requirement of the three existing nuclear power plants (NPPs), which are Chin-Shan (CS) NPP, Kuo-Sheng (KS) NPP, and Maanshan (MS) NPP, in Taiwan, and also developed the related Critical Digital Review (CDR) Procedure. The digital I and C replacement integration technique includes: (I) Establishment of Nuclear Power Plant Digital Replacement Integration Guideline, (2) Preliminary Investigation on I and C System Digitalization, (3) Evaluation on I and C System Digitalization, and (4) Establishment of I and C System Digitalization Architectures. These works can be a reference for performing I and C system digital replacement integration of the three existing NPPs of Taiwan Power Company (TPC). A CDR is the review for a critical system digital I and C replacement. The major reference of this procedure is EPRI TR- 1011710 (2005) 'Handbook for Evaluating Critical Digital Equipment and Systems' which was published by the Electric Power Research Inst. (EPRI). With this document, INER developed a TPC-specific CDR procedure. Currently, CDR becomes one of the policies for digital I and C replacement in TPC. The contents of this CDR procedure include: Scope, Responsibility, Operation Procedure, Operation Flow Chart, CDR review items. The CDR review items include the comparison of the design change, Software Verification and Validation (SVandV), Failure Mode and Effects Analysis (FMEA), Evaluation of Diversity and Defense-in-depth (D3), Evaluation of Watchdog Timer, Evaluation of Electromagnetic Compatibility (EMC), Evaluation of Grounding for System/Component, Seismic Evaluation, Witness and Inspection, Lessons Learnt from the Digital I and C Failure Events. A solid review can assure the quality of the digital I and C system replacement. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2012

Assessment of core damage frequency owing to possible fires at NPP with RBMK type reactors

According to Scientific and Technical Cooperation between the USA and Russia in the field of nuclear engineering the Idaho National Laboratory has transferred to the possession of the National Research Center ' Kurchatov Inst. ' the SAPHIRE software without any fee. With the help of the software Kurchatov Inst. developed a Pilot Living PSA- Model of Leningrad NPP Unit 1. Computations of core damage frequencies were carried out for additional Initiating Events. In the submitted paper such additional Initiating Events are fires in various compartments of the NPP. During the computations of each fire, structure of the PSA - Model was not changed, but Fault Trees for the appropriate systems, which are removed from service during the fire, were changed. It follows from the computations, that for ten fires Core Damaged Frequencies (CDF) are not changed. Other six fires will cause additional core damage. On the basis of the calculated results it is possible to determine a degree of importance of these fires and to establish sequence of performance of fire-prevention measures in various places of the NPP. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

Isotopically nonstationary 13 C flux analysis of cyanobacterial isobutyraldehyde production

Here, we applied isotopically nonstationary 13 C metabolic flux analysis (INST-MFA) to compare the pathway fluxes of wild-type (WT) Synechococcus elongatus PCC 7942 to an engineered strain (SA590) that produces isobutyraldehyde (IBA). The flux maps revealed a potential bottleneck at the pyruvate kinase (PK) reaction step that was associated with diversion of flux into a three-step PK bypass pathway involving the enzymes PEP carboxylase (PEPC), malate dehydrogenase (MDH), and malic enzyme (ME). Overexpression of pk in SA590 led to a significant improvement in IBA specific productivity. Single-gene overexpression of the three enzymes in the proposed PK bypass pathway also led to improvements in IBA production, although to a lesser extent than pk overexpression. Combinatorial overexpression of two of the three genes in the proposed PK bypass pathway ( mdh and me ) led to improvements in specific productivity that were similar to those achieved by single-gene pk overexpression. Our work demonstrates how 13 C flux analysis can be used to identify potential metabolic bottlenecks and novel metabolic routes, and how these findings can guide rational metabolic engineering of cyanobacteria for increased production of desired molecules.

13C INST-MFA↗
DOE OSTI2019

Cyanobacterial carboxysome mutant analysis reveals the influence of enzyme compartmentalization on cellular metabolism and metabolic network rigidity

Cyanobacterial carboxysomes encapsulate carbonic anhydrase and ribulose-1,5-bisphosphate carboxylase/oxygenase (RuBisCO). Genetic deletion of the major structural proteins encoded within the ccm operon in Synechococcus sp. PCC 7002 ( ΔccmKLMN ) disrupts carboxysome formation and significantly affects cellular physiology. In this study, we employed both metabolite pool size analysis and isotopically nonstationary metabolic flux analysis (INST-MFA) to examine metabolic regulation in cells lacking carboxysomes. Under high CO 2 environments (1%), the ΔccmKLMN mutant could recover growth and had a similar central flux distribution as the control strain, with the exceptions of moderately decreased photosynthesis and elevated biomass protein content and photorespiration activity. Metabolite analyses indicated that the ΔccmKLMN strain had significantly larger pool sizes of pyruvate (>18 folds), UDPG (uridine diphosphate glucose), and aspartate as well as higher levels of secreted organic acids (e.g., malate and succinate). These results suggest that the ΔccmKLMN mutant is able to largely maintain a fluxome similar to the control strain by changing in intracellular metabolite concentrations and metabolite overflows under optimal growth conditions. When CO 2 was insufficient (0.2%), provision of acetate moderately promoted mutant growth. Interestingly, the removal of microcompartments may loosen the flux network and promote RuBisCO side-reactions, facilitating redirection of central metabolites to competing pathways (i.e., pyruvate to heterologous lactate production). This study provides important insights into metabolic regulation via enzyme compartmentation and cyanobacterial compensatory responses.

09 BIOMASS FUELS↗
DOE OSTI2017

The Quest for the Ultimate Anisotropic Banach Space

We present a new scale U{sub p}{sup t,s} (s<−t<0 and 1≤p<∞) of anisotropic Banach spaces, defined via Paley–Littlewood, on which the transfer operator L{sub g}φ=(g⋅φ)∘T{sup −1} associated to a hyperbolic dynamical system T has good spectral properties. When p=1 and t is an integer, the spaces are analogous to the “geometric” spaces B{sup t,|s+t|} considered by Gouëzel and Liverani (Ergod Theory Dyn Syst 26:189–217, 2006). When p>1 and −1+1/p<s<−t<0<t<1/p, the spaces are somewhat analogous to the geometric spaces considered by Demers and Liverani (Trans Am Math Soc 360:4777–4814, 2008). In addition, just like for the “microlocal” spaces defined by Baladi and Tsujii (Ann Inst Fourier 57:127–154, 2007) (or Faure–Roy–Sjöstrand in Open Math J 1:35–81, 2008), the transfer operator acting on U{sub p}{sup t,s} can be decomposed into L{sub g,b}+L{sub g,c}, where L{sub g,b} has a controlled norm while a suitable power of L{sub g,c} is nuclear. This “nuclear power decomposition” enhances the Lasota–Yorke bounds and makes the spaces U{sub p}{sup t,s} amenable to the kneading approach of Milnor–Thurson (Dynamical Systems (Maryland 1986–1987), Springer, Berlin, 1988) (as revisited by Baladi–Ruelle, Baladi in Dynamical Zeta Functions and Dynamical Determinants for Hyperbolic Maps, Monograph, 2016; Baladi and Ruelle in Ergod Theory Dyn Syst 14:621–632, 1994; Baladi and Ruelle in Invent Math 123:553–574, 1996) to study dynamical determinants and zeta functions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Near Critical Preferential Attachment Networks have Small Giant Components

Preferential attachment networks with power law exponent τ>3 are known to exhibit a phase transition. There is a value ρ{sub c}>0 such that, for small edge densities ρ≤ρ{sub c} every component of the graph comprises an asymptotically vanishing proportion of vertices, while for large edge densities ρ>ρ{sub c} there is a unique giant component comprising an asymptotically positive proportion of vertices. In this paper we study the decay in the size of the giant component as the critical edge density is approached from above. We show that the size decays very rapidly, like exp (−c/√(ρ−ρ{sub c})) for an explicit constant c>0 depending on the model implementation. This result is in contrast to the behaviour of the class of rank-one models of scale-free networks, including the configuration model, where the decay is polynomial. Our proofs rely on the local neighbourhood approximations of Dereich and Mörters (Ann Probab 41(1):329–384, 2013) and recent progress in the theory of branching random walks (Gantert et al. in Ann Inst Henri Poincaré Probab Stat 47(1):111–129, 2011).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Weak and Strong Connectivity Regimes for a General Time Elapsed Neuron Network Model

For large fully connected neuron networks, we study the dynamics of homogenous assemblies of interacting neurons described by time elapsed models. Under general assumptions on the firing rate which include the ones made in previous works (Pakdaman et al. in Nonlinearity 23(1):55–75, 2010; SIAM J Appl Math 73(3):1260–1279, 2013, Mischler and Weng in Acta Appl Math, 2015), we establish accurate estimate on the long time behavior of the solutions in the weak and the strong connectivity regime both in the case with and without delay. Our results improve (Pakdaman et al. 2010, 2013) where a less accurate estimate was established and Mischler and Weng (2015) where only smooth firing rates were considered. Our approach combines several arguments introduced in the above previous works as well as a slightly refined version of the Weyl’s and spectral mapping theorems presented in Voigt (Monatsh Math 90(2):153–161, 1980) and Mischler and Scher (Ann Inst H Poincaré Anal Non Linéaire 33(3):849–898, 2016).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Evaluating the contribution of plant metabolic pathways in the light to the ATP:NADPH demand using a meta-analysis of isotopically non-stationary metabolic flux analyses

Abstract Balancing the ATP: NADPH demand from plant metabolism with supply from photosynthesis is essential for preventing photodamage and operating efficiently, so understanding its drivers is important for integrating metabolism with the light reactions of photosynthesis and for bioengineering efforts that may radically change this demand. It is often assumed that the C3 cycle and photorespiration consume the largest amount of ATP and reductant in illuminated leaves and as a result mostly determine the ATP: NADPH demand. However, the quantitative extent to which other energy consuming metabolic processes contribute in large ways to overall ATP: NADPH demand remains unknown. Here, we used the metabolic flux networks of numerous recently published isotopically non-stationary metabolic flux analyses (INST-MFA) to evaluate flux through the C3 cycle, photorespiration, the oxidative pentose phosphate pathway, the tricarboxylic acid cycle, and starch/sucrose synthesis and characterize broad trends in the demand of energy across different pathways and compartments as well as in the overall ATP:NADPH demand. These data sets include a variety of species including Arabidopsis thaliana , Nicotiana tabacum , and Camelina sativa as well as varying environmental factors including high/low light, day length, and photorespiratory levels. Examining these datasets in aggregate reveals that ultimately the bulk of the energy flux occurred in the C3 cycle and photorespiration, however, the energy demand from these pathways did not determine the ATP: NADPH demand alone. Instead, a notable contribution was revealed from starch and sucrose synthesis which might counterbalance photorespiratory demand and result in fewer adjustments in mechanisms which balance the ATP deficit.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2010

Experimental and numerical study of the role of NCN in prompt-NO formation in low-pressure CH{sub 4}-O{sub 2}-N{sub 2} and C{sub 2}H{sub 2}-O{sub 2}-N{sub 2} flames

We report an experimental and modeling study on prompt-NO formation in low-pressure (5.3 kPa) premixed flames. Special emphasis is given to the quantitative detection (and prediction) of NCN, whose role in prompt-NO formation has recently been confirmed in alkane flames. Here a rich ({phi} = 1.25) CH{sub 4}-O{sub 2}-N{sub 2} flame and rich ({phi} = 1.25) and stoichiometric C{sub 2}H{sub 2}-O{sub 2}-N{sub 2} flames have been investigated. Absolute concentration profiles of CH and NCN radicals and NO species are obtained by combining laser-induced fluorescence (LIF) and cavity ring-down spectroscopy (CRDS). Temperature profile is determined in each flame using OH and NO-LIF thermometry. Flame modeling is performed to determine the role of NCN in prompt-NO formation and to test the capacity of the present chemical mechanisms to predict some intermediate species involved in prompt-NO formation. The methane flame is modeled using GDFkin registered 3.0{sub N}CN mechanism [El Bakali et al., Fuel 85 (2006), 896-909]. The acetylene flames are modeled using the Lindstedt and Skevis C/H/O mechanism [Lindstedt and Skevis, Proc. Combust. Inst. 28 (2000), 1801-1807], completed by the submechanism issued from GDFkin registered 3.0{sub N}CN for nitrogen chemistry. This submechanism includes the initiation reaction CH + N{sub 2} = NCN + H. Rate constants of NO-sensitive reactions of the submechanism are modified by taking into account the recent literature. In particular, the C{sub 2}O route could be explored thanks to a significant presence of C{sub 2}O in acetylene flames. Globally, the modified submechanism of nitrogen chemistry coupled with the two hydrocarbon mechanisms leads to a satisfying prediction of NCN and NO mole fraction profiles, even though refinements of rate constant determination is still required. The role of NCN in prompt-NO formation in acetylene flames is demonstrated. (author)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗