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At least 1,207 records · Page 67

Molecular modeling of polymer composite interactions with analytes in electronic nose sensors for environmental monitoring in International Space Station

We report a molecular modeling study to investigate the polymer-carbon black (CB) composite-analyte interactions in resistive sensors. These sensors comprise the JPL Electronic Nose (ENose) sensing array developed for monitoring breathing air in human habitats. The polymer in the composite is modeled based on its stereisomerism and sequence isomerism, while the CB is modeled as uncharged naphthalene rings (with no hydrogens). The Dreiding 2.21 force field is used for the polymer and solvent molecules and graphite parameters are assigned to the carbon black atoms. A combination of molecular mechanics (MM) and molecular dynamics (NPT-MD and NVT-MD) techniques are used to obtain the equilibrium composite structure by inserting naphthalene rings in the polymer matrix. Polymers considered for this work include poly(4- vinylphenol), polyethylene oxide, and ethyl cellulose. Analytes studied are representative of both inorganic (ammonia) and organic (methanol, toluene, hydrazine) compounds. The results are analyzed for the composite microstructure by calculating the radial distribution profiles as well as for the sensor response by predicting the interaction energies of the analytes with the composites.

electronic noise environmental monitoring polymer ↗

SELENE Translunar Trajectory Reconfiguration Plan Provided for the Case of Main Engine Anomaly

In this paper, the reconfiguration of translunar trajectory in case of main engine anomaly is investigated. The objectives of the trajectory design are to reduce the excessive velocity at the Lunar encounter as well as to reduce the total required Delta-v to complete the sequence. 3-impulse Hohmann transfer based trajectory is adopted and possible trajectories are categorized under 2-body approximation. The solutions obtained are applied to more sophisticated models (3-body approximation and 4-body) and yields feasible trajectory.

Kawakatsu, Yasuhiro↗

Novel Species of Non-Spore-Forming Bacteria

While cataloging cultivatable microbes from the airborne biological diversity of the atmosphere of the Regenerative Enclosed life-support Module Simulator (REMS) system at Marshall Space Flight Center, two strains that belong to one novel bacterial species were isolated. Based on 16S rRNA gene sequencing and the unique morphology and the taxonomic characteristics of these strains, it is shown that they belong to the family Intrasporangiaceae, related to the genus Tetrasphaera, with phylogenetic distances from any validly described species of the genus Tetrasphaera ranging from 96.71 to 97.76 percent. The fatty acid profile supported the affiliation of these novel strains to the genus Tetrasphaera except for the presence of higher concentrations of octadecenoic acid (C18:0) and cis-9-octadecenoic acid (C18:1), which discriminates these strains from other valid species. In addition, DNA-DNA hybridization studies indicate that these strains belong to a novel species that could be readily distinguished from its nearest neighbor, Tetrasphaera japonica AMC 5116T, with less than 20 percent DNA relatedness. Physiological and biochemical tests show few phenotypic dissimilarities, but genotypic analysis allowed the differentiation of these gelatin-liquefying strains from previously reported strains. The name Tetrasphaera remsis sp. Nov. is proposed with the type strain 3-M5-R-4(sup T) (=ATCC BAA-1496(sup T)=CIP 109413(sup T). The cells are Gram-positive, nonmotile, cocci, in tetrad arrangement and clusters. Spore formation is not observed. No species of Tetrashpaera has ever been isolated from airborne samples. Previous discoveries have come from soil and activated sludge samples. As other species of this genus have demonstrated enhanced biological phosphorus removal activity, further tests are required to determine if this newly discovered species would have bioremediation applications.

Briegel, Ariane↗

Measuring and Modeling Shared Visual Attention

Multi-person teams are sometimes responsible for critical tasks, such as flying an airliner. Here we present a method using gaze tracking data to assess shared visual attention, a term we use to describe the situation where team members are attending to a common set of elements in the environment. Gaze data are quantized with respect to a set of N areas of interest (AOIs); these are then used to construct a time series of N dimensional vectors, with each vector component representing one of the AOIs, all set to 0 except for the component corresponding to the currently fixated AOI, which is set to 1. The resulting sequence of vectors can be averaged in time, with the result that each vector component represents the proportion of time that the corresponding AOI was fixated within the given time interval. We present two methods for comparing sequences of this sort, one based on computing the time-varying correlation of the averaged vectors, and another based on a chi-square test testing the hypothesis that the observed gaze proportions are drawn from identical probability distributions.We have evaluated the method using synthetic data sets, in which the behavior was modeled as a series of activities, each of which was modeled as a first-order Markov process. By tabulating distributions for pairs of identical and disparate activities, we are able to perform a receiver operating characteristic (ROC) analysis, allowing us to choose appropriate criteria and estimate error rates.We have applied the methods to data from airline crews, collected in a high-fidelity flight simulator (Haslbeck, Gontar Schubert, 2014). We conclude by considering the problem of automatic (blind) discovery of activities, using methods developed for text analysis.

attention↗

Measuring and Modeling Shared Visual Attention

Multi-person teams are sometimes responsible for critical tasks, such as flying an airliner. Here we present a method using gaze tracking data to assess shared visual attention, a term we use to describe the situation where team members are attending to a common set of elements in the environment. Gaze data are quantized with respect to a set of N areas of interest (AOIs); these are then used to construct a time series of N dimensional vectors, with each vector component representing one of the AOIs, all set to 0 except for the component corresponding to the currently fixated AOI, which is set to 1. The resulting sequence of vectors can be averaged in time, with the result that each vector component represents the proportion of time that the corresponding AOI was fixated within the given time interval. We present two methods for comparing sequences of this sort, one based on computing the time-varying correlation of the averaged vectors, and another based on a chi-square test testing the hypothesis that the observed gaze proportions are drawn from identical probability distributions. We have evaluated the method using synthetic data sets, in which the behavior was modeled as a series of "activities," each of which was modeled as a first-order Markov process. By tabulating distributions for pairs of identical and disparate activities, we are able to perform a receiver operating characteristic (ROC) analysis, allowing us to choose appropriate criteria and estimate error rates. We have applied the methods to data from airline crews, collected in a high-fidelity flight simulator (Haslbeck, Gontar & Schubert, 2014). We conclude by considering the problem of automatic (blind) discovery of activities, using methods developed for text analysis.

attention↗

Measuring and Modeling Shared Visual Attention

Multi-person teams are sometimes responsible for critical tasks, such as flying an airliner. Here we present a method using gaze tracking data to assess shared visual attention, a term we use to describe the situation where team members are attending to a common set of elements in the environment. Gaze data are quantized with respect to a set of N areas of interest (AOIs); these are then used to construct a time series of N dimensional vectors, with each vector component representing one of the AOIs, all set to 0 except for the component corresponding to the currently fixated AOI, which is set to 1. The resulting sequence of vectors can be averaged in time, with the result that each vector component represents the proportion of time that the corresponding AOI was fixated within the given time interval.We present two methods for comparing sequences of this sort, one based on computing the time varying correlation of the averaged vectors, and another based on a chi-square test testing the hypothesis that the observed gaze proportions are drawn from identical probability distributions.We have evaluated the method using synthetic data sets, in which the behavior was modeled as a series of activities, each of which was modeled as a first-order Markov process. By tabulating distributions for pairs of identical and disparate activities, we are able to perform a receiver operating characteristic (ROC) analysis, allowing us to choose appropriate criteria and estimate error rates. Using these criteria, we have applied the methods to data from airline crews, collected in a high-fidelity flight simulator (Gontar Hoermann, 2014). We conclude by considering the problem of automatic (blind) discovery of activities, using methods developed for text analysis.

Mulligan, Jeffrey B.↗

Gibberellin (GA3) enhances cell wall invertase activity and mRNA levels in elongating dwarf pea (Pisum sativum) shoots

The invertase (EC 3.2.1.26) purified from cell walls of dwarf pea stems to homogeneity has a molecular mass of 64 kilodaltons (kD). Poly(A)+RNA was isolated from shoots of dwarf pea plants, and a cDNA library was constructed using lambda gt11 as an expression vector. The expression cDNA library was screened with polyclonal antibodies against pea cell wall invertase. One invertase cDNA clone was characterized as a full-length cDNA with 1,863 base pairs. Compared with other known invertases, one homologous region in the amino acid sequence was found. The conserved motif, Asn-Asp-Pro-Asn-Gly, is located near the N-terminal end of invertase. Northern blot analysis showed that the amount of invertase mRNA (1.86 kb) was rapidly induced to a maximal level 4 h after GA3 treatment, then gradually decreased to the control level. The mRNA level at 4 h in GA3-treated peas was fivefold higher than that of the control group. The maximal increase in activity of pea cell wall invertase elicited by GA3 occcured at 8 h after GA3 treatment. This invertase isoform was shown immunocytochemically to be localized in the cell walls, where a 10-fold higher accumulation occurred in GA3-treated tissue compared with control tissue. This study indicates that the expression of the pea shoot cell-wall invertase gene could be regulated by GA3 at transcriptional and/or translational levels.

NASA Discipline Number 40-50↗

Archaeal phylogeny: reexamination of the phylogenetic position of Archaeoglobus fulgidus in light of certain composition-induced artifacts

A major and too little recognized source of artifact in phylogenetic analysis of molecular sequence data is compositional difference among sequences. The problem becomes particularly acute when alignments contain ribosomal RNAs from both mesophilic and thermophilic species. Among prokaryotes the latter are considerably higher in G + C content than the former, which often results in artificial clustering of thermophilic lineages and their being placed artificially deep in phylogenetic trees. In this communication we review archaeal phylogeny in the light of this consideration, focusing in particular on the phylogenetic position of the sulfate reducing species Archaeoglobus fulgidus, using both 16S rRNA and 23S rRNA sequences. The analysis shows clearly that the previously reported deep branching of the A. fulgidus lineage (very near the base of the euryarchaeal side of the archaeal tree) is incorrect, and that the lineage actually groups with a previously recognized unit that comprises the Methanomicrobiales and extreme halophiles.

NASA Discipline Exobiology↗

Prediction of multi-drug resistance transporters using a novel sequence analysis method

There are many examples of groups of proteins that have similar function, but the determinants of functional specificity may be hidden by lack of sequencesimilarity, or by large groups of similar sequences with different functions. Transporters are one such protein group in that the general function, transport, can be easily inferred from the sequence, but the substrate specificity can be impossible to predict from sequence with current methods. In this paper we describe a linguistic-based approach to identify functional patterns from groups of unaligned protein sequences and its application to predict multi-drug resistance transporters (MDRs) from bacteria. We first show that our method can recreate known patterns from PROSITE for several motifs from unaligned sequences. We then show that the method, MDRpred, can predict MDRs with greater accuracy and positive predictive value than a collection of currently available family-based models from the Pfam database. Finally, we apply MDRpred to a large collection of protein sequences from an environmental microbiome study to make novel predictions about drug resistance in a potential environmental reservoir.

59 BASIC BIOLOGICAL SCIENCES↗

Shotgun metagenome data of a defined mock community using Oxford Nanopore, PacBio and Illumina technologies

Metagenomic sequence data from defined mock communities is crucial for the assessment of sequencing platform performance and downstream analyses, including assembly, binning and taxonomic assignment. We report a comparison of shotgun metagenome sequencing and assembly metrics of a defined microbial mock community using the Oxford Nanopore Technologies (ONT) MinION, PacBio and Illumina sequencing platforms. Our synthetic microbial community BMock12 consists of 12 bacterial strains with genome sizes spanning 3.2-7.2 Mbp, 40-73% GC content, and 1.5-7.3% repeats. Size selection of both PacBio and ONT sequencing libraries prior to sequencing was essential to yield comparable relative abundances of organisms among all sequencing technologies. While the Illumina-based metagenome assembly yielded good coverage with few misassemblies, contiguity was greatly improved by both, Illumina + ONT and Illumina + PacBio hybrid assemblies but increased misassemblies, most notably in genomes with high sequence similarity to each other. Our resulting datasets allow evaluation and benchmarking of bioinformatics software on Illumina, PacBio and ONT platforms in parallel.

54 ENVIRONMENTAL SCIENCES↗

An unsupervised classification approach for analysis of Landsat data to monitor land reclamation in Belmont county, Ohio

Two unsupervised classification procedures for analyzing Landsat data used to monitor land reclamation in a surface mining area in east central Ohio are compared for agreement with data collected from the corresponding locations on the ground. One procedure is based on a traditional unsupervised-clustering/maximum-likelihood algorithm sequence that assumes spectral groupings in the Landsat data in n-dimensional space; the other is based on a nontraditional unsupervised-clustering/canonical-transformation/clustering algorithm sequence that not only assumes spectral groupings in n-dimensional space but also includes an additional feature-extraction technique. It is found that the nontraditional procedure provides an appreciable improvement in spectral groupings and apparently increases the level of accuracy in the classification of land cover categories.

Brumfield, J. O.↗

Design of Refractory Metal Life Test Heat Pipe and Calorimeter

Heat pipe life tests have seldom been conducted on a systematic basis. Typically, one or more heat pipes are built and tested for an extended period at a single temperature with simple condenser loading. Results are often reported describing the wall material, working fluid, test temperature, test duration, and occasionally the nature of any failure. Important information such as design details, processing procedures, material assay, power throughput, and radial power density are usually not mentioned. We propose to develop methods to generate carefully controlled data that conclusively establish heat pipe operating life with material-fluid combinations capable of extended operation. The test approach detailed in this Technical Publication will use 16 Mo-44.5%Re alloy/sodium heat pipe units that have an approximate12-in length and 5/8-in diameter. Two specific test series have been identified: (1) Long-term corrosion rates based on ASTM-G-68-80 (G-series) and (2) corrosion trends in a cross-correlation sequence at various temperatures and mass fluences based on a Fisher multifactor design (F-series). Evaluation of the heat pipe hardware will be performed in test chambers purged with an inert purified gas (helium or helium/argon mixture) at low pressure (10-100 torr) to provide thermal coupling between the heat pipe condenser and calorimeter. The final pressure will be selected to minimize the potential for voltage breakdown between the heat pipe and radio frequency (RF) induction coil (RF heating is currently the planned method of powering the heat pipes). The proposed calorimeter is constructed from a copper alloy and relies on a laminar flow water-coolant channel design to absorb and transport energy

Martin, J. J.↗

In vivo mapping of mutagenesis sensitivity of human enhancers

Distant-acting enhancers are central to human development1. However, our limited understanding of their functional sequence features prevents the interpretation of enhancer mutations in disease2. Here we determined the functional sensitivity to mutagenesis of human developmental enhancers in vivo. Focusing on seven enhancers that are active in the developing brain, heart, limb and face, we created over 1,700 transgenic mice for over 260 mutagenized enhancer alleles. Systematic mutation of 12-base-pair blocks collectively altered each sequence feature in each enhancer at least once. We show that 69% of all blocks are required for normal in vivo activity, with mutations more commonly resulting in loss (60%) than in gain (9%) of function. Using predictive modelling, we annotated critical nucleotides at the base-pair resolution. The vast majority of motifs predicted by these machine learning models (88%) coincided with changes in in vivo function, and the models showed considerable sensitivity, identifying 59% of all functional blocks. Taken together, our results reveal that human enhancers contain a high density of sequence features that are required for their normal in vivo function and provide a rich resource for further exploration of human enhancer logic.

Kosicki, Michael↗

Tracking tumor boundary in MV-EPID images without implanted markers: A feasibility study

Purpose: To develop a markerless tracking algorithm to track the tumor boundary in megavoltage (MV)-electronic portal imaging device (EPID) images for image-guided radiation therapy. Methods: A level set method (LSM)-based algorithm is developed to track tumor boundary in EPID image sequences. Given an EPID image sequence, an initial curve is manually specified in the first frame. Driven by a region-scalable energy fitting function, the initial curve automatically evolves toward the tumor boundary and stops on the desired boundary while the energy function reaches its minimum. For the subsequent frames, the tracking algorithm updates the initial curve by using the tracking result in the previous frame and reuses the LSM to detect the tumor boundary in the subsequent frame so that the tracking processing can be continued without user intervention. The tracking algorithm is tested on three image datasets, including a 4-D phantom EPID image sequence, four digitally deformable phantom image sequences with different noise levels, and four clinical EPID image sequences acquired in lung cancer treatment. The tracking accuracy is evaluated based on two metrics: centroid localization error (CLE) and volume overlap index (VOI) between the tracking result and the ground truth. Results: For the 4-D phantom image sequence, the CLE is 0.23 ± 0.20 mm, and VOI is 95.6% ± 0.2%. For the digital phantom image sequences, the total CLE and VOI are 0.11 ± 0.08 mm and 96.7% ± 0.7%, respectively. In addition, for the clinical EPID image sequences, the proposed algorithm achieves 0.32 ± 0.77 mm in the CLE and 72.1% ± 5.5% in the VOI. These results demonstrate the effectiveness of the authors’ proposed method both in tumor localization and boundary tracking in EPID images. In addition, compared with two existing tracking algorithms, the proposed method achieves a higher accuracy in tumor localization. Conclusions: In this paper, the authors presented a feasibility study of tracking tumor boundary in EPID images by using a LSM-based algorithm. Experimental results conducted on phantom and clinical EPID images demonstrated the effectiveness of the tracking algorithm for visible tumor target. Compared with previous tracking methods, the authors’ algorithm has the potential to improve the tracking accuracy in radiation therapy. In addition, real-time tumor boundary information within the irradiation field will be potentially useful for further applications, such as adaptive beam delivery, dose evaluation.

60 APPLIED LIFE SCIENCES↗

Molten Salt Reactor Initiating Event and Licensing Basis Event Workshop Summary

Oak Ridge National Laboratory (ORNL) hosted a workshop on identifying potential initiating events for radioactive releases as precursors to licensing basis events for a generic liquid-fuel molten salt reactor (MSR). The workshop was held on May 21 and 22, 2019. Participants included representatives from seven prospective reactor vendors, industry bodies, US and Canadian regulators, US and Canadian national laboratories, and the academic community. Accident sequence evaluation is central to deterministic and risk-informed performance-based reactor safety evaluation processes, and initiating events begin the accident sequence evaluation process. The workshop focused on how MSR initiating events feed into the risk-informed, performance-based reactor safety evaluation process described in DG-1353. This report describes the workshop activities and results, provides a generic list of initiating events involving selected systems, and presents the estimation of the relative frequency and consequences of accident sequences for a few important, high-level initiating events.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Flying Blind, or Just Flying Under the Radar? The Underappreciated Power of De Novo Methods of Mass Spectrometric Peptide Identification

Mass spectrometry-based proteomics is a popular and powerful method for precise and highly multiplexed protein identification. The most common method of analyzing untargeted proteomics data is called database searching, where the database is simply a collection of protein sequences from the target organism, derived from genome sequencing. Experimental peptide tandem mass spectra are compared to simplified models of theoretical spectra calculated from the translated genomic sequences. However, in several interesting application areas, such as forensics, archaeology, venomics and others, a genome sequence may not be available, or the correct genome sequence to use is not known. In these cases, de novo peptide identification can play an important role. De novo peptide identification infers peptide sequence directly from the tandem mass spectrum without reference to a sequence database, usually using graph-based or machine learning algorithms. In this review, we provide a basic overview of de novo peptide identification methods and applications, briefly covering de novo algorithms and tools, and focusing in more depth on recent applications from venomics, metaproteomics, forensics, and characterization of antibody drugs.

proteomics, mass spectrometry, forensics, de novo ↗

Automated methods for scalable, parallelized enzymatic biopolymer synthesis and modification using microfluidic devices

Methods for the automated template-free synthesis of user-defined sequence controlled biopolymers using microfluidic devices are described. The methods facilitate simultaneous synthesis of up to thousands of uniquely addressed biopolymers from the controlled movement and combination of regents as fluid droplets using microfluidic and EWOD-based systems. In some forms, biopolymers including nucleic acids, peptides, carbohydrates, and lipids are synthesized from step-wise assembly of building blocks based on a user-defined sequence of droplet movements. In some forms, the methods synthesize uniquely addressed nucleic acids of up to 1,000 nucleotides in length. Methods for adding, removing and changing barcodes on biopolymers are also provided. Biopolymers synthesized according to the methods, and libraries and databases thereof are also described. Modified biopolymers, including chemically modified nucleotides and biopolymers conjugated to other molecules are described.

Banal, James↗

Toward an Autonomous Feature-based Pointing System for Planetary Missions

Although the analytical groundwork for understanding two-dimensional object images and various aspects of computer vision has been laid, we have not yet applied these concepts to automating the process of obtaining science images during space exploration missions. Our current approach in specifying pointing-command sequences relies heavily on target predicts, based on predicted target and spacecraft ephemerides, that propagate the target position as a function of time during pointing operations.

Computer↗