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At least 973 records · Page 54

A High-Quality Genome-Scale Model for Rhodococcus opacus Metabolism

Rhodococcus opacus is a bacterium that has a high tolerance to aromatic compounds and can produce significant amounts of triacylglycerol (TAG). Here, we present iGR1773, the first genome-scale model (GSM) of R. opacus PD630 metabolism based on its genomic sequence and associated data. The model includes 1773 genes, 3025 reactions, and 1956 metabolites, was developed in a reproducible manner using CarveMe, and was evaluated through Metabolic Model tests (MEMOTE). We combine the model with two Constraint-Based Reconstruction and Analysis (COBRA) methods that use transcriptomics data to predict growth rates and fluxes: E-Flux2 and SPOT (Simplified Pearson Correlation with Transcriptomic data). Growth rates are best predicted by E-Flux2. Flux profiles are more accurately predicted by E-Flux2 than flux balance analysis (FBA) and parsimonious FBA (pFBA), when compared to 44 central carbon fluxes measured by 13C-Metabolic Flux Analysis (13C-MFA). Under glucose-fed conditions, E-Flux2 presents an R2 value of 0.54, while predictions based on pFBA had an inferior R2 of 0.28. We attribute this improved performance to the extra activity information provided by the transcriptomics data. For phenol-fed metabolism, in which the substrate first enters the TCA cycle, E-Flux2’s flux predictions display a high R2 of 0.96 while pFBA showed an R2 of 0.93. We also show that glucose metabolism and phenol metabolism function with similar relative ATP maintenance costs. These findings demonstrate that iGR1773 can help the metabolic engineering community predict aromatic substrate utilization patterns and perform computational strain design.

Roell, Garrett W.↗

Bayesian Blocks: A New Method to Analyze Photon Counting Data

A Bayesian analysis of photon-counting data leads to a new time-domain algorithm for detecting localized structures (bursts), revealing pulse shapes, and generally characterizing intensity variations. The raw counting data -- time-tag events (TTE), time-to-spill (TTS) data, or binned counts -- is converted to a maximum likelihood segmentation of the observation into time intervals during which the photon arrival rate is perceptibly constant -- i.e. has a fixed intensity without statistically significant variations. The resulting structures, Bayesian Blocks, can be thought of as bins with arbitrary spacing determined by the data. The method itself sets no lower limit to the time scale on which variability can be detected. We have applied the method to RXTE data on Cyg X-1, yielding information on this source's short-time-scale variability.

Scargle, Jeffrey D.↗

Dynamics retrieval from stochastically weighted incomplete data by low-pass spectral analysis

Time-resolved serial femtosecond crystallography (TR-SFX) provides access to protein dynamics on sub-picosecond timescales, and with atomic resolution. Due to the nature of the experiment, these datasets are often highly incomplete and the measured diffracted intensities are affected by partiality. To tackle these issues, one established procedure is that of splitting the data into time bins, and averaging the multiple measurements of equivalent reflections within each bin. This binning and averaging often involve a loss of information. Here, we propose an alternative approach, which we call low-pass spectral analysis (LPSA). In this method, the data are projected onto the subspace defined by a set of trigonometric functions, with frequencies up to a certain cutoff. This approach attenuates undesirable high-frequency features and facilitates retrieving the underlying dynamics. A time-lagged embedding step can be included prior to subspace projection to improve the stability of the results with respect to the parameters involved. Subsequent modal decomposition allows to produce a low-rank description of the system's evolution. Using a synthetic time-evolving model with incomplete and partial observations, we analyze the LPSA results in terms of quality of the retrieved signal, as a function of the parameters involved. We compare the performance of LPSA to that of a range of other sophisticated data analysis techniques. We show that LPSA allows to achieve excellent dynamics reconstruction at modest computational cost. Finally, we demonstrate the superiority of dynamics retrieval by LPSA compared to time binning and merging, which is, to date, the most commonly used method to extract dynamical information from TR-SFX data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Determining biomolecular structures near room temperature using X-ray crystallography: concepts, methods and future optimization

For roughly two decades, cryocrystallography has been the overwhelmingly dominant method for determining high-resolution biomolecular structures. Competition from single-particle cryo-electron microscopy and micro-electron diffraction, increased interest in functionally relevant information that may be missing or corrupted in structures determined at cryogenic temperature, and interest in time-resolved studies of the biomolecular response to chemical and optical stimuli have driven renewed interest in data collection at room temperature and, more generally, at temperatures from the protein–solvent glass transition near 200 K to ∼350 K. Fischer has recently reviewed practical methods for room-temperature data collection and analysis [Fischer (2021), Q. Rev. Biophys. 54 , e1]. Here, the key advantages and physical principles of, and methods for, crystallographic data collection at noncryogenic temperatures and some factors relevant to interpreting the resulting data are discussed. For room-temperature data collection to realize its potential within the structural biology toolkit, streamlined and standardized methods for delivering crystals prepared in the home laboratory to the synchrotron and for automated handling and data collection, similar to those for cryocrystallography, should be implemented.

59 BASIC BIOLOGICAL SCIENCES↗

Changing Institutional Procurement Behavior to Achieve Energy Savings

Although federal policies regarding energy-efficient product procurement (EEPP) are long-standing and well-established, federal buyers do not typically request energy-efficient products when making purchases. This is a large missed opportunity: full compliance could save the U.S. federal government roughly $500 million in energy cost annually. In 2016, the U.S. Department of Energy’s Federal Energy Management Program (FEMP) began a new set of program activities to increase federal compliance with these procurement requirements. Program interventions included increased communication with contracting officers during the solicitation process; development of enhanced, targeted training; and collection and dissemination of procurement best practices across the federal sector. We have collected and analyzed ~2,500 solicitations from over 40 different federal agencies to evaluate the influence of these interventions. Compared to pre-intervention years (FY15 and FY11), annual compliance rates for FY16 and FY17 increased by about 10%. This paper provides an overview of the data collection process, analysis framework, intervention method, and results of our analysis. We discuss strategies to increase compliance rates by examining institutional factors that drive procurement behavior. By combining data collection with adjustment to program implementation, we have created an iterative process that is having a demonstrable effect in improving the impact of a long-running program.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Precision Measurement of Black Hole Binary Dynamics: Analyzing the LISA Data Stream

One of the richest potential sources of insight into fundamental physics that LISA will be capable of observing is the inspiral of supermassive black hole binaries (BHBs). However, the data analysis challenge presented by the LISA data stream is quite unlike the situation for present day gravitational wave detectors. In order to make the precision measurements necessary to achieve LISA's science goals, the BHB signal must be distinguished from a data stream that not only contains instrumental noise, but potentially thousands of other signals as well, so that the "background" we wish to separate out to focus on the BHB signal is likely to be highly nonstationary and nongaussian, as well as being of scientific interest in its own right. In addition, whereas the theoretical templates that we calculate in order to ultimately estimate the parameters can afford to be somewhat inaccurate and still be effective for present day and near future detectors, this is not the case for LISA, and extremely high fidelity of the theoretical templates for high signal-to-noise signals will be required to prevent theoretical errors from dominating the parameter estimates. NVe, will describe efforts in the community of LISA data analysts to address the challenges regarding the specific issue of BHB signals. These efforts include using a Markov Chain Monte Carlo approach with the freedom to model the BHB and the other signals present in the data stream simultaneously, rather than trying to remove other signals and risk biasing the remaining data. The Mock LISA Data Challenge is a community of LISA scientists who generate rounds of simulated LISA noise with increasingly difficult signal content, and invite the LISA data analysis community to exercise their methods, or develop new methods, in an attempt to extract the parameters for the signals embedded in the mock data. In addition to practical approaches such ,is this to assess the level of parameter accuracy, one can apply the Fisher matrix formalism to assess both the statistical errors from noise and the theoretical errors

McWilliams, Sean T.↗

Reflectance spectroscopy - Quantitative analysis techniques for remote sensing applications

The empirical methods and scattering theories that are important for solving remote sensing problems are among the methods for remotely sensed reflectance data analysis presently compared. In the case of the photon mean optical path length concept's implications for reflectance spectra modeling, it is shown that the mean optical path length in a particulate surface is in roughly inverse proportion to the square root of the absorption coefficient. Absorption bands, which are Gaussian in shape when plotted as true absorptance vs photon energy, are also Gaussians in apparent absorptance, although they have a smaller intensity. An apparent continuum in a reflectance spectrum is modeled as a mathematical function that is used to isolate a particular absorption feature for analysis, and it is noted that this continuum should be removed by dividing it into the reflectance spectrum.

Clark, R. N.↗

A relational metric, its application to domain analysis, and an example analysis and model of a remote sensing domain

An objective and quantitative method has been developed for deriving models of complex and specialized spheres of activity (domains) from domain-generated verbal data. The method was developed for analysis of interview transcripts, incident reports, and other text documents whose original source is people who are knowledgeable about, and participate in, the domain in question. To test the method, it is applied here to a report describing a remote sensing project within the scope of the Earth Observing System (EOS). The method has the potential to improve the designs of domain-related computer systems and software by quickly providing developers with explicit and objective models of the domain in a form which is useful for design. Results of the analysis include a network model of the domain, and an object-oriented relational analysis report which describes the nodes and relationships in the network model. Other products include a database of relationships in the domain, and an interactive concordance. The analysis method utilizes a newly developed relational metric, a proximity-weighted frequency of co-occurrence. The metric is applied to relations between the most frequently occurring terms (words or multiword entities) in the domain text, and the terms found within the contexts of these terms. Contextual scope is selectable. Because of the discriminating power of the metric, data reduction from the association matrix to the network is simple. In addition to their value for design. the models produced by the method are also useful for understanding the domains themselves. They can, for example, be interpreted as models of presence in the domain.

Mcgreevy, Michael W.↗

SAS PDF: pair distribution function analysis of nanoparticle assemblies from small-angle scattering data

SASPDF, a method for characterizing the structure of nanoparticle assemblies (NPAs), is presented. The method is an extension of the atomic pair distribution function (PDF) analysis to the small-angle scattering (SAS) regime. The PDFgetS3 software package for computing the PDF from SAS data is also presented. An application of the SASPDF method to characterize structures of representative NPA samples with different levels of structural order is then demonstrated. The SASPDF method quantitatively yields information such as structure, disorder and crystallite sizes of ordered NPA samples. The method was also used to successfully model the data from a disordered NPA sample. The SASPDF method offers the possibility of more quantitative characterizations of NPA structures for a wide class of samples.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Search for neutrinoless β + EC decay of Te 120 with CUORE-0

Here, we have performed a search for neutrinoless $\beta^{+}\hspace{-0.2em}EC$ decay of $^{120}$Te using the final CUORE-0 data release. We describe a new analysis method for the simultaneous fit of signatures with different event topology, and of data subsets with different signal efficiency, obtaining a limit on the half-life of the decay of $T_{1/2}>1.6\cdot10^{21}$ yr at $90\%$ CI. Combining this with results from Cuoricino, a predecessor experiment, we obtain the strongest limit to date, corresponding to $T_{1/2}>2.7\cdot10^{21}$ yr at $90\%$ CI.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Clarifying Objectives and Results of Equivalent System Mass Analyses for Advanced Life Support

This paper discusses some of the analytical decisions that an investigator must make during the course of a life support system trade study. Equivalent System Mass (ESM) is often applied to evaluate trade study options in the Advanced Life Support (ALS) Program. ESM can be used to identify which of several options that meet all requirements are most likely to have lowest cost. It can also be used to identify which of the many interacting parts of a life support system have the greatest impact and sensitivity to assumptions. This paper summarizes recommendations made in the newly developed ALS ESM Guidelines Document and expands on some of the issues relating to trade studies that involve ESM. In particular, the following three points are expounded: 1) The importance of objectives: Analysis objectives drive the approach to any trade study, including identification of assumptions, selection of characteristics to compare in the analysis, and the most appropriate techniques for reflecting those characteristics. 2) The importance of results inferprefafion: The accuracy desired in the results depends upon the analysis objectives, whereas the realized accuracy is determined by the data quality and degree of detail in analysis methods. 3) The importance of analysis documentation: Documentation of assumptions and data modifications is critical for effective peer evaluation of any trade study. ESM results are analysis-specific and should always be reported in context, rather than as solitary values. For this reason, results reporting should be done with adequate rigor to allow for verification by other researchers.

Levri, Julie A.↗

LinkWinds: An Approach to Visual Data Analysis

The Linked Windows Interactive Data System (LinkWinds) is a prototype visual data exploration and analysis system resulting from a NASA/JPL program of research into graphical methods for rapidly accessing, displaying and analyzing large multivariate multidisciplinary datasets. It is an integrated multi-application execution environment allowing the dynamic interconnection of multiple windows containing visual displays and/or controls through a data-linking paradigm. This paradigm, which results in a system much like a graphical spreadsheet, is not only a powerful method for organizing large amounts of data for analysis, but provides a highly intuitive, easy to learn user interface on top of the traditional graphical user interface.

Jacobson, Allan S.↗

Analysis Resistant Cipher Method and Apparatus

A system for encoding and decoding data words including an anti-analysis encoder unit for receiving an original plaintext and producing a recoded data, a data compression unit for receiving the recoded data and producing a compressed recoded data, and an encryption unit for receiving the compressed recoded data and producing an encrypted data. The recoded data has an increased non-correlatable data redundancy compared with the original plaintext in order to mask the statistical distribution of characters in the plaintext data. The system of the present invention further includes a decryption unit for receiving the encrypted data and producing a decrypted data, a data decompression unit for receiving the decrypted data and producing an uncompressed recoded data, and an anti-analysis decoder unit for receiving the uncompressed recoded data and producing a recovered plaintext that corresponds with the original plaintext.

Oakley, Ernest C.↗

The Effect of Data Transformations on Scalar Field Topological Analysis of High-Order FEM Solutions

High-order finite element methods (HO-FEM) are gaining popularity in the simulation community due to their success in solving complex flow dynamics. There is an increasing need to analyze the data produced as output by these simulations. Simultaneously, topological analysis tools are emerging as powerful methods for investigating simulation data. Yet, most of the current approaches to topological analysis have had limited application to HO-FEM simulation data for two reasons. First, the current topological tools are designed for linear data (polynomial degree one), but the polynomial degree of the data output by these simulations is typically higher (routinely up to polynomial degree six). Second, the simulation data and derived quantities of the simulation data have discontinuities at element boundaries, and these discontinuities do not match the input requirements for the topological tools. One solution to both issues is to transform the high-order data to achieve low-order, continuous inputs for topological analysis. Nevertheless, there has been little work evaluating the possible transformation choices and their downstream effect on the topological analysis. We perform an empirical study to evaluate two commonly used data transformation methodologies along with the recently introduced L-SIAC filter for processing high-order simulation data. Our findings indicate diverse behaviors are possible. We offer some guidance about how best to consider a pipeline of topological analysis of HO-FEM simulations with the currently available implementations of topological analysis.

97 MATHEMATICS AND COMPUTING↗

SU-F-T-464: Development of a Secondary Check Procedure to Evaluated Flatness and Symmetry Discrepancies Detected During Daily Morning QA

Purpose: A daily QA device is used to monitor output, flatness and symmetry constancy for all linac photon and electron energies. If large deviations from baseline in flatness or symmetry are reported it becomes necessary to crosscheck the measurements with a second device. Setting up another device such as Matrixx (IBA Dosimetry) can be time consuming, due to its warm-up time, and trained personnel may not be readily available to analyze the results. Furthermore, this discrepancy is frequently isolated to a single energy. Unaffected energies could still be used, avoiding further patient delays, if a method to gather data for offline analysis could be developed. We find that optically stimulated luminescent dosimeters (OSLDs) provide a quick, simple, and inexpensive solution to this important clinical problem. Methods: The exact geometry of the detectors on the daily tracker (Keithley Therapy Beam Evaluator) was reproduced by placing nanoDot OSLDs (Landauer) on a solid water phantom. A combination of bolus and solid water was placed on top to provide buildup and prevent air gaps. Standard daily measurements of output, flatness and symmetry were taken for 2 photon energies (6x,10x) and 5 electron energies (6e,9e,12e,15e,18e) using the tracker. These measurements were then repeated with the OSLD phantom. Results: The time it took to set up the OSLD phantom was comparable to that of the tracker. The inline and crossline OSLD phantom measurements of flatness and symmetry agreed with the tracker results to within 2%. Conclusion: OSLDs provide a good solution for a quick second check when questionable flatness and symmetry results are detected with the tracker during daily QA.

60 APPLIED LIFE SCIENCES↗

Voids in the Ly-alpha forest

The general issue of using the Ly-alpha absorbers in quasar spectra as tracers of the large-scale matter distribution is discussed, emphasizing complications due to evolutionary effects and line blending. Then, a novel method of statistical analysis of the line data appropriate for studying large-scale structure is described. This method circumvents the problem of line blending by truncating the interval distribution at the low end. It also explicitly takes z-dependent effects into account. As an example, the method is applied to an 18-quasar spectrum sample of 417 lines.

Duncan, Robert C.↗