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All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Theoretical Characterization of the NNO...O3 and NNO...O Complexes

The bonding mechanisms and bond strengths of complexes between two molecular and/or atomic species will be discussed. The implications of complex formation for stratospheric chemistry will be presented. Results of theoretical calculations on NNO ... O3 and NNO ...O will be used as specific examples to illustrate the principles of complex formation. The equilibrium structures and binding energies of these complexes will be presented as well as shifts in other molecular properties due to complexation, such as vibrational frequencies. Thermal dissociation rates will be presented. The theoretical methodology used in this study consists of high-level coupled-cluster calculations and more approximate density functional theory approaches, together with large one-particle basis sets.

Lee, Timothy J.↗
NASA NTRS2003

Report on the NASA Soft and Complex Condensed Matter Workshop

During the past decade, NASA has been a leading U.S. supporter of soft and complex condensed matter research. Experiments in space shuttles, MIR, the International Space Station (ISS), as well as ground-based research have provided new insights into several areas including hard sphere colloids, crystal growth, phase ordering, and transport of complex fluids at the critical point. To help define the next generation of flight experiments needed to answer remaining important questions in the field of soft and complex condensed matter, NASA's Office of Biological and Physical Science sponsored a workshop on Soft and Complex Condensed Matter, March 6, 2003. This workshop asked leading members in the field of Soft and Complex Condensed Matter (at the APS March Meeting) to help identify exciting unanswered questions in the field, along with specific research topics for which the absence of gravity would enable significant results unobtainable by other means. The workshop was attended by 24 participants from universities across the U.S. and from five different countries (in addition to NASA GRC participants).

Singh, Bhim↗
NASA NTRS2002

Analysis of complex-type chromosome exchanges in astronauts' lymphocytes after space flight as a biomarker of high-LET exposure

High-LET radiation is more efficient in producing complex-type chromosome exchanges than sparsely ionizing radiation, and this can potentially be used as a biomarker of radiation quality. To investigate if complex chromosome exchanges are induced by the high-LET component of space radiation exposure, damage was assessed in astronauts' blood lymphocytes before and after long duration missions of 3-4 months. The frequency of simple translocations increased significantly for most of the crewmembers studied. However, there were few complex exchanges detected and only one crewmember had a significant increase after flight. It has been suggested that the yield of complex chromosome damage could be underestimated when analyzing metaphase cells collected at one time point after irradiation, and analysis of chemically-induced PCC may be more accurate since problems with complicated cell-cycle delays are avoided. However, in this case the yields of chromosome damage were similar for metaphase and PCC analysis of astronauts' lymphocytes. It appears that the use of complex-type exchanges as biomarker of radiation quality in vivo after low-dose chronic exposure in mixed radiation fields is hampered by statistical uncertainties.

manned↗
NASA NTRS1997

Structure of an anti-HIV-1 hammerhead ribozyme complex with a 17-mer DNA substrate analog of HIV-1 gag RNA and a mechanism for the cleavage reaction: 750 MHz NMR and computer experiments

The structure of an anti-HIV-1 ribozyme-DNA abortive substrate complex was investigated by 750 MHz NMR and computer modeling experiments. The ribozyme was a chimeric molecule with 30 residues-18 DNA nucleotides, and 12 RNA residues in the conserved core. The DNA substrate analog had 17 residues. The chimeric ribozyme and the DNA substrate formed a shortened ribozyme-abortive substrate complex of 47 nucleotides with two DNA stems (stems I and III) and a loop consisting of the conserved core residues. Circular dichroism spectra showed that the DNA stems assume A-family conformation at the NMR concentration and a temperature of 15 degrees C, contrary to the conventional wisdom that DNA duplexes in aqueous solution populate entirely in the B-form. It is proposed that the A-family RNA residues at the core expand the A-family initiated at the core into the DNA stems because of the large free energy requirement for the formation of A/B junctions. Assignments of the base H8/H6 protons and H1' of the 47 residues were made by a NOESY walk. In addition to the methyl groups of all T's, the imino resonances of stems I and III and AH2's were assigned from appropriate NOESY walks. The extracted NMR data along with available crystallographic data, were used to derive a structural model of the complex. Stems I and III of the final model displayed a remarkable similarity to the A form of DNA; in stem III, a GC base pair was found to be moving into the floor of the minor groove defined by flanking AT pairs; data suggest the formation of a buckled rhombic structure with the adjacent pair; in addition, the base pair at the interface of stem III and the loop region displayed deformed geometry. The loop with the catalytic core, and the immediate region of the stems displayed conformational multiplicity within the NMR time scale. A catalytic mechanism for ribozyme action based on the derived structure, and consistent with biochemical data in the literature, is proposed. The complex between the anti HIV-1 gag ribozyme and its abortive DNA substrate manifests in the detection of a continuous track of A.T base pairs; this suggests that the interaction between the ribozyme and its DNA substrate is stronger than the one observed in the case of the free ribozyme where the bases in stem I and stem III regions interact strongly with the ribozyme core region (Sarma, R. H., et al. FEBS Letters 375, 317-23, 1995). The complex formation provides certain guidelines in the design of suitable therapeutic ribozymes. If the residues in the ribozyme stem regions interact with the conserved core, it may either prevent or interfere with the formation of a catalytically active tertiary structure.

NASA Discipline Exobiology↗
NASA NTRS1992

Loss of 'complexity' and aging. Potential applications of fractals and chaos theory to senescence

The concept of "complexity," derived from the field of nonlinear dynamics, can be adapted to measure the output of physiologic processes that generate highly variable fluctuations resembling "chaos." We review data suggesting that physiologic aging is associated with a generalized loss of such complexity in the dynamics of healthy organ system function and hypothesize that such loss of complexity leads to an impaired ability to adapt to physiologic stress. This hypothesis is supported by observations showing an age-related loss of complex variability in multiple physiologic processes including cardiovascular control, pulsatile hormone release, and electroencephalographic potentials. If further research supports this hypothesis, measures of complexity based on chaos theory and the related geometric concept of fractals may provide new ways to monitor senescence and test the efficacy of specific interventions to modify the age-related decline in adaptive capacity.

Non-NASA Center↗
NASA NTRS1991

Aging and the complexity of cardiovascular dynamics

Biomedical signals often vary in a complex and irregular manner. Analysis of variability in such signals generally does not address directly their complexity, and so may miss potentially useful information. We analyze the complexity of heart rate and beat-to-beat blood pressure using two methods motivated by nonlinear dynamics (chaos theory). A comparison of a group of healthy elderly subjects with healthy young adults indicates that the complexity of cardiovascular dynamics is reduced with aging. This suggests that complexity of variability may be a useful physiological marker.

Non-NASA Center↗
NASA NTRS2005

Self-dissimilarity as a High Dimensional Complexity Measure

For many systems characterized as "complex" the patterns exhibited on different scales differ markedly from one another. For example the biomass distribution in a human body "looks very different" depending on the scale at which one examines it. Conversely, the patterns at different scales in "simple" systems (e.g., gases, mountains, crystals) vary little from one scale to another. Accordingly, the degrees of self-dissimilarity between the patterns of a system at various scales constitute a complexity "signature" of that system. Here we present a novel quantification of self-dissimilarity. This signature can, if desired, incorporate a novel information-theoretic measure of the distance between probability distributions that we derive here. Whatever distance measure is chosen, our quantification of self-dissimilarity can be measured for many kinds of real-world data. This allows comparisons of the complexity signatures of wholly different kinds of systems (e.g., systems involving information density in a digital computer vs. species densities in a rain-forest vs. capital density in an economy, etc.). Moreover, in contrast to many other suggested complexity measures, evaluating the self-dissimilarity of a system does not require one to already have a model of the system. These facts may allow self-dissimilarity signatures to be used a s the underlying observational variables of an eventual overarching theory relating all complex systems. To illustrate self-dissimilarity we present several numerical experiments. In particular, we show that underlying structure of the logistic map is picked out by the self-dissimilarity signature of time series produced by that map

Wolpert, David H.↗
NASA NTRS2006

Biologically-Inspired Concepts for Self-Management of Complexity

Inherent complexity in large-scale applications may be impossible to eliminate or even ameliorate despite a number of promising advances. In such cases, the complexity must be tolerated and managed. Such management may be beyond the abilities of humans, or require such overhead as to make management by humans unrealistic. A number of initiatives inspired by concepts in biology have arisen for self-management of complex systems. We present some ideas and techniques we have been experimenting with, inspired by lesser-known concepts in biology that show promise in protecting complex systems and represent a step towards self-management of complexity.

Sterritt, Roy↗
NASA NTRS2009

Distributed Trajectory Flexibility Preservation for Traffic Complexity Mitigation

The growing demand for air travel is increasing the need for mitigation of air traffic congestion and complexity problems, which are already at high levels. At the same time new information and automation technologies are enabling the distribution of tasks and decisions from the service providers to the users of the air traffic system, with potential capacity and cost benefits. This distribution of tasks and decisions raises the concern that independent user actions will decrease the predictability and increase the complexity of the traffic system, hence inhibiting and possibly reversing any potential benefits. In answer to this concern, the authors propose the introduction of decision-making metrics for preserving user trajectory flexibility. The hypothesis is that such metrics will make user actions naturally mitigate traffic complexity. In this paper, the impact of using these metrics on traffic complexity is investigated. The scenarios analyzed include aircraft in en route airspace with each aircraft meeting a required time of arrival in a one-hour time horizon while mitigating the risk of loss of separation with the other aircraft, thus preserving its trajectory flexibility. The experiments showed promising results in that the individual trajectory flexibility preservation induced self-separation and self-organization effects in the overall traffic situation. The effects were quantified using traffic complexity metrics based on Lyapunov exponents and traffic proximity.

Idris, Husni↗
NASA NTRS2009

Energetic Processing of Interstellar Ices: A Route to Complexity

More than 140 gas-phase molecules have been detected in the interstellar (IS) medium or in circumstellar environments including inorganics, organics, ions, and radicals. The significant abundance of large, complex organic molecules, and families of isomers in these regions makes the origin and formation history of these species the subject of debate. Observationally determined condensed-phase species are H2O, CO, CO2, NH3 and CH30H, with CH4, HCOOH, OCS, OCN-, H2CO and NH4(+) present at trace levels. These ices can undergo energetic processing with cosmic rays or far-UV photons to form larger complex organics with abundance levels that make them undetectable in icy mantles. Once warmed, however, it is likely that these complex species would enter the gas-phase where they might be detected by Herschel or Alma. Understanding the role of radiation chemistry and thermal processing of ices and identifying new products are the goals of our laboratory research. In the Cosmic lee Laboratory at NASA Goddard Space Plight Center, we can study both the photo-and radiation chemistries of ices from 8 -- 300 K. Using dear- and mid-IR spectroscopy we can follow the destruction of primary molecules and the formation of radicals and secondary products as a function of energetic processing. During warming we can monitor the trapping of species and the results of any thermal chemistry. An overview of recent and past work will focus on complex secondary radiation products from small condensed-phase IS species. Likely reactions include dimerization, isomerization, H-addition and H-elimination. Another focus of our work is the development of reaction schemes for the formation of complex molecules and the use of such schemes to predict new molecules awaiting detection by Herschel and Alma.

Moore, Marla H.↗
NASA NTRS2009

Complexity for Survival of Living Systems

A logical connection between the survivability of living systems and the complexity of their behavior (equivalently, mental complexity) has been established. This connection is an important intermediate result of continuing research on mathematical models that could constitute a unified representation of the evolution of both living and non-living systems. Earlier results of this research were reported in several prior NASA Tech Briefs articles, the two most relevant being Characteristics of Dynamics of Intelligent Systems (NPO- 21037), NASA Tech Briefs, Vol. 26, No. 12 (December 2002), page 48; and Self-Supervised Dynamical Systems (NPO- 30634) NASA Tech Briefs, Vol. 27, No. 3 (March 2003), page 72. As used here, living systems is synonymous with active systems and intelligent systems. The quoted terms can signify artificial agents (e.g., suitably programmed computers) or natural biological systems ranging from single-cell organisms at one extreme to the whole of human society at the other extreme. One of the requirements that must be satisfied in mathematical modeling of living systems is reconciliation of evolution of life with the second law of thermodynamics. In the approach followed in this research, this reconciliation is effected by means of a model, inspired partly by quantum mechanics, in which the quantum potential is replaced with an information potential. The model captures the most fundamental property of life - the ability to evolve from disorder to order without any external interference. The model incorporates the equations of classical dynamics, including Newton s equations of motion and equations for random components caused by uncertainties in initial conditions and by Langevin forces. The equations of classical dynamics are coupled with corresponding Liouville or Fokker-Planck equations that describe the evolutions of probability densities that represent the uncertainties. The coupling is effected by fictitious information-based forces that are gradients of the information potential, which, in turn, is a function of the probability densities. The probability densities are associated with mental images both self-image and nonself images (images of external objects that can include other agents). The evolution of the probability densities represents mental dynamics. Then the interaction between the physical and metal aspects of behavior is implemented by feedback from mental to motor dynamics, as represented by the aforementioned fictitious forces. The interaction of a system with its self and nonself images affords unlimited capacity for increase of complexity. There is a biological basis for this model of mental dynamics in the discovery of mirror neurons that learn by imitation. The levels of complexity attained by use of this model match those observed in living systems. To establish a mechanism for increasing the complexity of dynamics of an active system, the model enables exploitation of a chain of reflections exemplified by questions of the form, "What do you think that I think that you think...?" Mathematically, each level of reflection is represented in the form of an attractor performing the corresponding level of abstraction with more details removed from higher levels. The model can be used to describe the behaviors, not only of biological systems, but also of ecological, social, and economics ones.

Zak, Michail↗
NASA NTRS2009

Analysis of Trajectory Flexibility Preservation Impact on Traffic Complexity

The growing demand for air travel is increasing the need for mitigation of air traffic congestion and complexity problems, which are already at high levels. At the same time new information and automation technologies are enabling the distribution of tasks and decisions from the service providers to the users of the air traffic system, with potential capacity and cost benefits. This distribution of tasks and decisions raises the concern that independent user actions will decrease the predictability and increase the complexity of the traffic system, hence inhibiting and possibly reversing any potential benefits. In answer to this concern, the authors proposed the introduction of decision-making metrics for preserving user trajectory flexibility. The hypothesis is that such metrics will make user actions naturally mitigate traffic complexity. In this paper, the impact of using these metrics on traffic complexity is investigated. The scenarios analyzed include aircraft in en route airspace with each aircraft meeting a required time of arrival in a one-hour time horizon while mitigating the risk of loss of separation with the other aircraft, thus preserving its trajectory flexibility. The experiments showed promising results in that the individual trajectory flexibility preservation induced self-separation and self-organization effects in the overall traffic situation. The effects were quantified using traffic complexity metrics, namely dynamic density indicators, which indicated that using the flexibility metrics reduced aircraft density and the potential of loss of separation.

Idris, Husni↗
NASA NTRS2009

A Complexity Metric for Automated Separation

A metric is proposed to characterize airspace complexity with respect to an automated separation assurance function. The Maneuver Option metric is a function of the number of conflict-free trajectory change options the automated separation assurance function is able to identify for each aircraft in the airspace at a given time. By aggregating the metric for all aircraft in a region of airspace, a measure of the instantaneous complexity of the airspace is produced. A six-hour simulation of Fort Worth Center air traffic was conducted to assess the metric. Results showed aircraft were twice as likely to be constrained in the vertical dimension than the horizontal one. By application of this metric, situations found to be most complex were those where level overflights and descending arrivals passed through or merged into an arrival stream. The metric identified high complexity regions that correlate well with current air traffic control operations. The Maneuver Option metric did not correlate with traffic count alone, a result consistent with complexity metrics for human-controlled airspace.

Aweiss, Arwa↗
NASA NTRS2012

Discovery of a Plains Caldera Complex and Extinct Lava Lake in Arabia Terra, Mars: Implications for the Discovery of Additional Highland Volcanic Source Regions

Several irregularly shaped topographic depressions occur near the dichotomy boundary in northern Arabia Terra, Mars. The geomorphology of these features suggests that they formed by collapse, opposed to meteor impact. At least one depression (approx.55 by 85 km) displays geologic features indicating a complex, multi-stage collapse history. Features within and around the collapse structure indicate volcanic processes. The complex occurs within Hesperian ridged plains of likely volcanic origin and displays no crater rim or evidence for ejecta. Instead the depression consists of a series of circumferential graben and down-dropped blocks which also display upper surfaces similar to ridged plain lavas. Large blocks within the depression are tilted towards the crater center, and display graben that appear to have originally been linked with circumferential graben outside of the complex related to earlier collapse events. A nearly 700 m high mound exists along a graben within the complex that might be a vent. The deepest depression displays two sets of nearly continuous terraces, which we interpret as high-stands of a drained lava lake. These features appear similar to the black ledge described during the Kilauea Iki eruption in 1959. A lacustrine origin for the terraces seems unlikely because of the paucity of channels found in or around the depression that could be linked to aqueous surface processes. In addition, there is no obvious evidence for lacustrine sediments within the basin. Together with the presence of significant faulting that is indicative of collapse we conclude that this crater complex represents a large caldera formed in the Late Noachian to Early Hesperian. Other linear and irregular depressions in the region also might be linked to ancient volcanism. If that hypothesis is correct, it suggests that northern Arabia Terra could contain a large, previously unrecognized highland igneous province. Evacuation of magma via explosive and effusive activity produced localized collapse, might have contributed to nearby ridged plains, and pyroclastic materials erupted from these vents might have supplied sediments in fretted terrain and other deposits. The recognition of volcanoes within Arabia Terra expands the known extent of Noachian-Hesperian volcanism to cover much of the preserved martian highland crust.

Bleacher, Jacob↗
NASA NTRS2012

Prediction of Traffic Complexity and Controller Workload in Mixed Equipage NextGen Environments

Controller workload is a key factor in limiting en route air traffic capacity. Past efforts to quantify and predict workload have resulted in identifying objective metrics that correlate well with subjective workload ratings during current air traffic control operations. Although these metrics provide a reasonable statistical fit to existing data, they do not provide a good mechanism for estimating controller workload for future air traffic concepts and environments that make different assumptions about automation, enabling technologies, and controller tasks. One such future environment is characterized by en route airspace with a mixture of aircraft equipped with and without Data Communications (Data Comm). In this environment, aircraft with Data Comm will impact controller workload less than aircraft requiring voice communication, altering the close correlation between aircraft count and controller workload that exists in current air traffic operations. This paper outlines a new trajectory-based complexity (TBX) calculation that was presented to controllers during a human-in-the-loop simulation. The results showed that TBX accurately estimated the workload in a mixed Data Comm equipage environment and the resulting complexity values were understood and readily interpreted by the controllers. The complexity was represented as a "modified aircraft account" that weighted different complexity factors and summed them in such a way that the controllers could effectively treat them as aircraft count. The factors were also relatively easy to tune without an extensive data set. The results showed that the TBX approach is well suited for presenting traffic complexity in future air traffic environments.

Lee, Paul U.↗
NASA NTRS2016

Performance Analysis of a Hardware Implemented Complex Signal Kurtosis Radio-Frequency Interference Detector

Radio-frequency interference (RFI) is a known problem for passive remote sensing as evidenced in the L-band radiometers SMOS, Aquarius and more recently, SMAP. Various algorithms have been developed and implemented on SMAP to improve science measurements. This was achieved by the use of a digital microwave radiometer. RFI mitigation becomes more challenging for microwave radiometers operating at higher frequencies in shared allocations. At higher frequencies larger bandwidths are also desirable for lower measurement noise further adding to processing challenges. This work focuses on finding improved RFI mitigation techniques that will be effective at additional frequencies and at higher bandwidths. To aid the development and testing of applicable detection and mitigation techniques, a wide-band RFI algorithm testing environment has been developed using the Reconfigurable Open Architecture Computing Hardware System (ROACH) built by the Collaboration for Astronomy Signal Processing and Electronics Research (CASPER) Group. The testing environment also consists of various test equipment used to reproduce typical signals that a radiometer may see including those with and without RFI. The testing environment permits quick evaluations of RFI mitigation algorithms as well as show that they are implementable in hardware. The algorithm implemented is a complex signal kurtosis detector which was modeled and simulated. The complex signal kurtosis detector showed improved performance over the real kurtosis detector under certain conditions. The real kurtosis is implemented on SMAP at 24 MHz bandwidth. The complex signal kurtosis algorithm was then implemented in hardware at 200 MHz bandwidth using the ROACH. In this work, performance of the complex signal kurtosis and the real signal kurtosis are compared. Performance evaluations and comparisons in both simulation as well as experimental hardware implementations were done with the use of receiver operating characteristic (ROC) curves. The complex kurtosis algorithm has the potential to reduce data rate due to onboard processing in addition to improving RFI detection performance.

microwaves↗
NASA NTRS2019

A Limited Habitable Zone for Complex Life

The habitable zone (HZ) is commonly defined as the range of distances from a host star within which liquid water, a key requirement for life, may exist on a planet's surface. Substantially more CO2 than present in Earth's modern atmosphere is required to maintain clement temperatures for most of the HZ, with several bars required at the outer edge. However, most complex aerobic life on Earth is limited by CO2 concentrations of just fractions of a bar. At the same time, most exoplanets in the traditional HZ reside in proximity to M dwarfs, which are more numerous than Sun-like G dwarfs but are predicted to promote greater abundances of gases that can be toxic in the atmospheres of orbiting planets, such as carbon monoxide (CO). Here we show that the HZ for complex aerobic life is likely limited relative to that for microbial life. We use a 1D radiative-convective climate and photochemical models to circumscribe a Habitable Zone for Complex Life (HZCL) based on known toxicity limits for a range of organisms as a proof of concept. We find that for CO2 tolerances of 0.01, 0.1, and 1 bar, the HZCL is only 21%, 32%, and 50% as wide as the conventional HZ for a Sun-like star, and that CO concentrations may limit some complex life throughout the entire HZ of the coolest M dwarfs. These results cast new light on the likely distribution of complex life in the universe and have important ramifications for the search for exoplanet biosignatures and technosignatures.

Schwieterman, Edward W.↗
NASA NTRS2020

Analyzing Changes in the Complexity of Climate in the Last Four Decades Using MERRA-2 Radiation Data

The energy balance of the Earth is controlled by the shortwave and longwave radiation emitted to space. Changes in the thermodynamic state of the system over time afect climate and are noticeable when viewing the system as a whole. In this paper, we study the changes in the complexity of climate in the last four decades using data from the Modern-Era Retrospective analysis for Research and Applications, Version 2 (MERRA-2). First, we study the complexity of the shortwave and longwave radiation felds independently using Approximate Entropy and Sample Entropy, observing that the rate of complexity change is faster for shortwave radiation. Then, we study the causality of those changes using Transfer Entropy to capture the non-linear dynamics of climate, showing that the changes are mainly driven by the variations in shortwave radiation. The observed behavior of climatic complexity could be explained by the changes in cloud amount, and we research that possibility by investigating its evolution from a complexity perspective using data from the International Satellite Cloud Climatology Project (ISCCP).

Delgado-Bonal, Alfonso↗