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At least 37 records · Page 2

Genomes OnLine database (GOLD) v.7: updates and new features

The Genomes Online Database (GOLD) (https://gold.jgi.doe.gov) is an open online resource, which maintains an up-to-date catalog of genome and metagenome projects in the context of a comprehensive list of associated metadata. Information in GOLD is organized into four levels: Study, Biosample/Organism, Sequencing Project and Analysis Project. Currently GOLD hosts information on 33 415 Studies, 49 826 Biosamples, 313 324 Organisms, 215 881 Sequencing Projects and 174 454 Analysis Projects with a total of 541 metadata fields, of which 80 are based on controlled vocabulary (CV) terms. GOLD provides a user-friendly web interface to browse sequencing projects and launch advanced search tools across four classification levels. Users submit metadata on a wide range of Sequencing and Analysis Projects in GOLD before depositing sequence data to the Integrated Microbial Genomes (IMG) system for analysis. GOLD conforms with and supports the rules set by the Genomic Standards Consortium (GSC) Minimum Information standards. The current version of GOLD (v.7) has seen the number of projects and associated metadata increase exponentially over the years. This paper provides an update on the current status of GOLD and highlights the new features added over the last two years.

59 BASIC BIOLOGICAL SCIENCES↗

Conotoxin Prediction: New Features to Increase Prediction Accuracy

Conotoxins are toxic, disulfide-bond-rich peptides from cone snail venom that target a wide range of receptors and ion channels with multiple pathophysiological effects. Conotoxins have extraordinary potential for medical therapeutics that include cancer, microbial infections, epilepsy, autoimmune diseases, neurological conditions, and cardiovascular disorders. Despite the potential for these compounds in novel therapeutic treatment development, the process of identifying and characterizing the toxicities of conotoxins is difficult, costly, and time-consuming. This challenge requires a series of diverse, complex, and labor-intensive biological, toxicological, and analytical techniques for effective characterization. While recent attempts, using machine learning based solely on primary amino acid sequences to predict biological toxins (e.g., conotoxins and animal venoms), have improved toxin identification, these methods are limited due to peptide conformational flexibility and the high frequency of cysteines present in toxin sequences. This results in an enumerable set of disulfide-bridged foldamers with different conformations of the same primary amino acid sequence that affect function and toxicity levels. Consequently, a given peptide may be toxic when its cysteine residues form a particular disulfide-bond pattern, while alternative bonding patterns (isoforms) or its reduced form (free cysteines with no disulfide bridges) may have little or no toxicological effects. Similarly, the same disulfide-bond pattern may be possible for other peptide sequences and result in different conformations that all exhibit varying toxicities to the same receptor or to different receptors. We present here new features, when combined with primary sequence features to train machine learning algorithms to predict conotoxins, that significantly increase prediction accuracy.

collisional cross section↗

The Community Land Model Version 5: Description of New Features, Benchmarking, and Impact of Forcing Uncertainty

The Community Land Model (CLM) is the land component of the Community Earth System Model (CESM) and is used in several global and regional modeling systems. In this paper, we introduce model developments included in CLM version 5 (CLM5), which is the default land component for CESM2. We assess an ensemble of simulations, including prescribed and prognostic vegetation state, multiple forcing data sets, and CLM4, CLM4.5, and CLM5, against a range of metrics including from the International Land Model Benchmarking (ILAMBv2) package. CLM5 includes new and updated processes and parameterizations: (1) dynamic land units, (2) updated parameterizations and structure for hydrology and snow (spatially explicit soil depth, dry surface layer, revised groundwater scheme, revised canopy interception and canopy snow processes, updated fresh snow density, simple firn model, and Model for Scale Adaptive River Transport), (3) plant hydraulics and hydraulic redistribution, (4) revised nitrogen cycling (flexible leaf stoichiometry, leaf N optimization for photosynthesis, and carbon costs for plant nitrogen uptake), (5) global crop model with six crop types and time-evolving irrigated areas and fertilization rates, (6) updated urban building energy, (7) carbon isotopes, and (8) updated stomatal physiology. New optional features include demographically structured dynamic vegetation model (Functionally Assembled Terrestrial Ecosystem Simulator), ozone damage to plants, and fire trace gas emissions coupling to the atmosphere. Conclusive establishment of improvement or degradation of individual variables or metrics is challenged by forcing uncertainty, parametric uncertainty, and model structural complexity, but the multivariate metrics presented here suggest a general broad improvement from CLM4 to CLM5.

58 GEOSCIENCES↗

Electronic nose with a new feature reduction method and a multi-linear classifier for Chinese liquor classification

An electronic nose (e-nose) was designed to classify Chinese liquors of the same aroma style. A new method of feature reduction which combined feature selection with feature extraction was proposed. Feature selection method used 8 feature-selection algorithms based on information theory and reduced the dimension of the feature space to 41. Kernel entropy component analysis was introduced into the e-nose system as a feature extraction method and the dimension of feature space was reduced to 12. Classification of Chinese liquors was performed by using back propagation artificial neural network (BP-ANN), linear discrimination analysis (LDA), and a multi-linear classifier. The classification rate of the multi-linear classifier was 97.22%, which was higher than LDA and BP-ANN. Finally the classification of Chinese liquors according to their raw materials and geographical origins was performed using the proposed multi-linear classifier and classification rate was 98.75% and 100%, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

IMG-ABC: new features for bacterial secondary metabolism analysis and targeted biosynthetic gene cluster discovery in thousands of microbial genomes

Secondary metabolites produced by microbes have diverse biological functions, which makes them a great potential source of biotechnologically relevant compounds with antimicrobial, anti-cancer and other activities. The proteins needed to synthesize these natural products are often encoded by clusters of co-located genes called biosynthetic gene clusters (BCs). In order to advance the exploration of microbial secondary metabolism, we developed the largest publically available database of experimentally verified and predicted BCs, the Integrated Microbial Genomes Atlas of Biosynthetic gene Clusters (IMG-ABC) (https://img.jgi.doe.gov/abc/). Here, we describe an update of IMG-ABC, which includes ClusterScout, a tool for targeted identification of custom biosynthetic gene clusters across 40 000 isolate microbial genomes, and a new search capability to query more than 700 000 BCs from isolate genomes for clusters with similar Pfam composition. Additional features enable fast exploration and analysis of BCs through two new interactive visualization features, a BC function heatmap and a BC similarity network graph. These new tools and features add to the value of IMG-ABC's vast body of BC data, facilitating their in-depth analysis and accelerating secondary metabolite discovery.

59 BASIC BIOLOGICAL SCIENCES↗

Post-shock spikes - A new feature of proton and alpha enhancements associated with an interplanetary shock wave

Description of the salient characteristics of temporal variations of greater than or about equal to 100 keV/nucleon protons and alpha particles during a ten-hour period associated with the passage of an interplanetary shock wave. In addition to extending measurements to energies considerably below previous observations for energetic storm particle and shock-spike events, the discovery of a new low energy feature, referred to as 'postshock spikes', is reported. The typical width of these spikes is several minutes, but they occur several hours after the passage of the shock front. Evidence is presented that spikes depends on the energy per charge of the particles.

Gloeckler, G.↗

Development of a diffusive wave shallow water model with a novel stability condition and other new features

Traditionally, one of the approaches to flood modelling is numerical simulation of the diffusive wave approximation of the shallow water equations. Improving these models in various aspects is still an open area of research. In this study, a new diffusive wave model with explicit time integration was developed which includes some novel features: (1) time steps are determined using a novel stability criterion which resulted in more dynamic time steps (i.e., broader range) compared to the conventional Courant-Friedrichs-Lewy stability condition; (2) stability constraints are reduced, considering the flow processes within surface ponds; (3) besides Manning's formula, which is the common equation for computing velocities in diffusive wave models, the free fall velocity and a new equation for wave-front velocity are employed; and (4) the influence of upstream surface ponds on downstream flow is considered. This paper introduces the enhanced diffusive wave model, the socalled Overland Flow Simulator Cellular Automata (OFS-CA), and its results for five test cases. Available analytical solutions and an experimental study were used for verification. Two other shallow water models were used for comparison and benchmarking. Overall, good agreements were observed and OFS-CA was computationally less expensive compared to the other two shallow water models.

42 ENGINEERING↗

New features of different frequency generating systems due to the use of electrodeless rigidly mounted VBA quartz crystal resonator

The BVA 5 MHz crystal equipped frequency sources exhibit a new blend of performances such as 10 to 11 daily stability, 5x10-13 short term stability (1 to 30 s time intervals) and close to the carrier low phase noise (1 Hz : -120 dBc, 10 Hz : -140 dBc), whereby retaining the customary crystal oscillator benefits of small volume, high reliability and low price, as opposed to more sophisticated frequency generators which would be required to achieve comparable performances. Examples illustrating the impact of the Oscilloquartz BVA oven-controlled crystal oscillator in different frequency generating systems are presented: cesium frequency standards; hydrogen frequency standard; a precision distribution sub-system for satellite ground stations; and high hierarchy exchanges of digital networks, synchronized by the master-slave method are discussed.

Jendly, A.↗

Addressing Usability for Discrete User Goals When Adding New Features to the Worldview Application

The Worldview (https://worldview.earthdata.nasa.gov/) application from NASA's Earth Observing System Data and Information System (EOSDIS) provides a low friction solution for users of different scientific backgrounds to access near real-time satellite imagery and data products. Worldview credits its successful growth by displaying new imagery from the Global Imagery Browse Services (GIBS), which has an increasing archive of 700+ products serving full-resolution satellite imagery from NASA's Earth observing fleet. NASA promotes the open sharing of all data with researchers, private industry, academia, and the general public. Worldview encourages this open data policy. Numerous general news publications feature Worldview for its unique imagery. Worldview also helps scholarly research in identifying field research locations, mapping thermal hotspots of active burning fires, and visualizing theoretical models of weather storm systems.

web application↗

Monte Carlo depletion calculations using VESTA 2.1 new features and perspectives

VESTA is a Monte Carlo depletion interface code that is currently under development at IRSN. With VESTA, the emphasis lies on both accuracy and performance, so that the code will be capable of providing accurate and complete answers in an acceptable amount of time compared to other Monte Carlo depletion codes. From its inception, VESTA is intended to be a generic interface code so that it will ultimately be capable of using any Monte-Carlo code or depletion module and that can be tailored to the users needs. A new version of the code (version 2.1.x) will be released in 2012. The most important additions to the code are a burn up dependent isomeric branching ratio treatment to improve the prediction of metastable nuclides such as {sup 242m}Am and the integration of the PHOENIX point depletion module (also developed at IRSN) to overcome some of the limitations of the ORIGEN 2.2 module. The task of extracting and visualising the basic results and also the calculation of physical quantities or other data that can be derived from the basic output provided by VESTA will be the task of the AURORA depletion analysis tool which will be released at the same time as VESTA 2.1.x. The experimental validation database was also extended for this new version and it now contains a total of 35 samples with chemical assay data and 34 assembly decay heat measurements. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The IMG/M data management and analysis system v.7: content updates and new features

The Integrated Microbial Genomes & Microbiomes system at the Department of Energy (DOE) Joint Genome Institute (JGI) continues to provide support for users to perform comparative analysis of isolate and single cell genomes, metagenomes, and metatranscriptomes. In addition to datasets produced by the JGI, IMG v.7 also includes datasets imported from public sources such as NCBI Genbank, SRA, and the DOE National Microbiome Data Collaborative (NMDC), or submitted by external users. In the past couple years, we have continued our effort to help the user community by improving the annotation pipeline, upgrading the contents with new reference database versions, and adding new analysis functionalities such as advanced scaffold search, Average Nucleotide Identity (ANI) for high-quality metagenome bins, new cassette search, improved gene neighborhood display, and improvements to metatranscriptome data display and analysis. Here, we also extended the collaboration and integration efforts with other DOE-funded projects such as NMDC and DOE Biology Knowledgebase (KBase).

59 BASIC BIOLOGICAL SCIENCES↗

Cover Feature: New Noncentrosymmetric Tetrel Pnictides Composed of Square-Planar Gold(I) with Peculiar Bonding (Chem. Eur. J. 26/2021)

Compared to common types of Au(I) coordination, such as linear, trigonal planar, and tetrahedral units observed in extended solids, the square planar coordination is rare. Au(I)relia, shown in the cover image, exhibits the 3-centered bonding of Au-Tt-Au and Au-Pn-Au (on her feathers), square planar cis-[AuTt2Pn2] units (her pendant), and linear …-Au-Au-Au-… chains (her legs) that are characteristic of the novel equiatomic AuSiAs, AuGeP, and AuGeAs compounds. The image was created by designer Grant Luhmann.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

New features of the ECH control system on DIII-D and impact of power modulation on collector loading

In order to increase the reliability and improve the availability of electron cyclotron heating (ECH) and current drive during a plasma shot, an adaptive gyrotron command generator has been designed and implemented in all gyrotron systems on the DIII-D tokamak. This adaptive real-time generator is able to detect imminent faults, including gyrotron body overcurrent faults that can develop in a few microseconds, block faults, and restart RF generation within 10–30 ms, faster than the DIII-D energy confinement time. The adoption of this adaptive generator has substantially improved the performance of a depressed-collector gyrotron with recurrent body current faults, and has assisted the ECH system to achieve a record reliability of 95% during the last experimental campaign. The impact of power modulation on the collector loading of a depressed-collector gyrotron has been experimentally studied using calorimetry and collector maps taken by a diagnostic developed in-house. While lowering the modulation duty cycle kept the collector power constant as a result of low beam-wave efficiency during the modulation low state, an observed power redistribution inside the collector increased the peak collector power density, which reached levels above the manufacturer power density limit for low duty cycles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A new feature in the internal heavy isotope distribution in ozone

Ozone produced by discharge or photolysis of oxygen has unusually heavy isotopic composition ({sup 18}O/{sup 16}O and {sup 17}O/{sup 16}O ratio) which does not follow normal mass fractionation rule: δ{sup 17}O ∼ 0.52{sup *}δ{sup 18}O, expressed as an anomaly Δ{sup 17}O = δ{sup 17}O − 0.52{sup *}δ{sup 18}O. Ozone molecule being an open isosceles triangle can have the heavy isotope located either in its apex or symmetric (s) position or the base or asymmetric (as) position. Correspondingly, one can define positional isotopic enrichment, written as δ{sup 18}O (s) or δ{sup 18}O (as) (and similarly for δ{sup 17}O) as well as position dependent isotope anomaly Δ{sup 17}O (s) and Δ{sup 17}O (as). Marcus and co-workers have proposed a semi-empirical model based in principle on the RRKM model of uni-molecular dissociation but with slight modification (departure from statistical randomness assumption for symmetrical molecules) which explains many features of ozone isotopic enrichment. This model predicts that the bulk isotope anomaly is contained wholly in the asymmetric position and the Δ{sup 17}O (s) is zero. Consequently, Δ{sup 17}O (as) = 1.5 {sup *} Δ{sup 17}O (bulk) (named here simply as the “1.5 rule”) which has been experimentally confirmed over a range of isotopic enrichment. We now show that a critical re-analysis of the earlier experimental data demonstrates a small but significant departure from this 1.5 rule at the highest and lowest levels of enrichments. This departure provides the first experimental proof that the dynamics of ozone formation differs from a statistical model constrained only by restriction of symmetry. We speculate over some possible causes for the departure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

New features of the symbiotic recurrent nova V407 Cygni found in the outburst in 2010

The spectral evolution of V407 Cyg during the outburst in 2010 is reported. The coronal emission lines [Fe x] 6374, [Ar x] 5535, and [Ar xi] 6919 strengthened rapidly around day 20 of the outburst, which coincided with the growth of soft X-ray flux. On the other hand, the non-coronal forbidden lines [O i], [N ii], [O iii], etc. strengthened between days 40 and 60, which coincided with the fading of the soft X-rays. The luminosities in the UV and optical regions also decreased in the same period, and were seen as bends on the light curves. Our observations suggest that the fading of the soft X-rays and the bends on the light curves were likely related to a rapid decreasing of the emission measure of the nebulosity, and may not have been due to the cessation of the hydrogen burning in the system. It seems that the coronal emission lines were emitted by the collision of the ejecta with the circumstellar envelope as well as the soft X-rays. Intensities of the emission lines of He i relative to Hβ probably increased in the first 3 days of the outburst and decreased in the successive 10 days and then recovered, while no other line showed a similar variation. The variations in intensity of the He i emission lines coincided with that of the γ-ray flux in the first two weeks of the outburst. The helium abundance derived from the intensities of the He i and He ii emission lines relative to Hβ appeared to have decreased from N(He) = 0.17 to 0.076 according to the fading of the He i lines, and then increased to 0.20 when the intensities recovered in the later stage of the outburst. It is unlikely that the helium abundance really changed so much during the outburst. There might have been an unknown mechanism that weakened the He i emission lines. The distance to V407 Cyg is estimated to be 5.3±1 kpc. The absolute V mag at maximum light of the outburst was probably fainter by about 0.6 mag than that expected from the time for a 2 mag decline.

79 ASTRONOMY AND ASTROPHYSICS↗

Correction to ‘Twenty-five years of Genomes OnLine Database (GOLD): data updates and new features in v.9’

In the originally published online version of this manuscript, there were two co-authors missing from the author list: Tanja Woyke (https://orcid.org/0000-0002-9485-5637) and Emiley Eloe-Fadrosh (https://orcid.org/0000-0002-8162-1276). The author list should read: ‘Supratim Mukherjee, Dimitri Stamatis, Cindy Tianqing Li, Galina Ovchinnikova, Jon Bertsch, Jagadish Chandrabose Sundaramurthi, Mahathi Kandimalla, Paul A. Nicolopoulos, Alessandro Favognano, Tanja Woyke, Emiley A. Eloe-Fardosh, I-Min A. Chen, Nikos C. Kyrpides and T.B.K. Reddy’. This emendation is outlined only in this correction notice to preserve the version of record.

99 GENERAL AND MISCELLANEOUS↗