Search results for "PACKAGE"

showing 10 items of 116 documents

The MIRS computer package for modeling the rovibrational spectra of polyatomic molecules

2003

International audience; The MIRS spectroscopic software for the modeling of ro-vibrational spectra of polyatomic molecules is presented. It is designed for the global treatment of complex band systems of molecules to take full account of symmetry properties. It includes e cient algorithms based on the irreducible tensor formalism. Predictions and simultaneous data fi tting (positions and intensities) are implemented as well as advanced options related to group theory algebra. Illustrative examples on CH3D, CH4, CH3Cl and PH3 are reported and the present status of data available is given. It is written in C++ for standard PC computer operating under Windows. The full package including on-lin…

010504 meteorology & atmospheric sciences01 natural sciencesSpectral lineSoftwareComputer package0103 physical sciencesMoleculeSpectroscopy0105 earth and related environmental sciencesPhysics[PHYS.PHYS.PHYS-AO-PH]Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]RadiationSpectroscopic database010304 chemical physicsbusiness.industryPolyatomic ionRotational–vibrational spectroscopyMolecular spectroscopyAtmospheric applicationsAtomic and Molecular Physics and OpticsComputational physics[ PHYS.PHYS.PHYS-AO-PH ] Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]Rotation vibrationCurve fittingbusinessInfraredGroup theorySoftware
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Northern European Salmo trutta (L.) populations are genetically divergent across geographical regions and environmental gradients

2020

The salmonid fish Brown trout is iconic as a model for the application of conservation genetics to understand and manage local interspecific variation. However, there is still scant information about relationships between local and large-scale population structure, and to what extent geographical and environmental variables are associated with barriers to gene flow. We used information from 3,782 mapped SNPs developed for the present study and conducted outlier tests and gene–environment association (GEA) analyses in order to examine drivers of population structure. Analyses comprised >2,600 fish from 72 riverine populations spanning a central part of the species' distribution in norther…

0106 biological sciences0301 basic medicineConservation geneticsSELECTIONPopulationsalmonidCONSERVATIONlcsh:Evolutiongenotype‐environment association010603 evolutionary biology01 natural sciencesGene flow03 medical and health sciencesbrown troutLOCAL ADAPTATIONSampling designlcsh:QH359-425GeneticsGENOME SCANS14. Life underwaterSalmoeducationEcology Evolution Behavior and SystematicsLocal adaptationGenotype‐environment associationeducation.field_of_studyCLIMATE-CHANGEbiologyBROWN TROUTSTRUCTURED POPULATIONSR-PACKAGESampling (statistics)genotype-environment associationVDP::Matematikk og Naturvitenskap: 400biology.organism_classification030104 developmental biologyEvolutionary biologyoutlier testTEMPORAL-CHANGESOutlierGeneral Agricultural and Biological SciencesASCERTAINMENT BIASlocal adaptation
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paco: implementing Procrustean Approach to Cophylogeny in R

2017

Summary The concordance of evolutionary histories and extant species interactions provides a useful metric for addressing questions of how the structure of ecological communities is influenced by macro-evolutionary processes. We introduce paco (v0.3.1), an R package to perform Procrustean Approach to Cophylogeny. This method assesses the phylogenetic congruence, or evolutionary dependence, of two groups of interacting species using both ecological interaction networks and their phylogenetic history. We demonstrate the functionality of paco through its application to empirical host-parasite and plant-pollinator communities. Although the package is intended to assess the phylogenetic congruen…

0106 biological sciences0301 basic medicinePhylogenetic treeEcological ModelingBiogeographyBioinformatics010603 evolutionary biology01 natural sciences03 medical and health sciencesR package030104 developmental biologyCongruence (geometry)Evolutionary biologyMetric (mathematics)Molecular phylogeneticsEvolutionary ecologySociocultural evolutionEcology Evolution Behavior and SystematicsMethods in Ecology and Evolution
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iSEE: Interactive SummarizedExperiment Explorer

2018

Data exploration is critical to the comprehension of large biological data sets generated by high-throughput assays such as sequencing. However, most existing tools for interactive visualisation are limited to specific assays or analyses. Here, we present the iSEE (Interactive SummarizedExperiment Explorer) software package, which provides a general visual interface for exploring data in a SummarizedExperiment object. iSEE is directly compatible with many existing R/Bioconductor packages for analysing high-throughput biological data, and provides useful features such as simultaneous examination of (meta)data and analysis results, dynamic linking between plots and code tracking for reproduci…

0301 basic medicineBioconductorcomputer.software_genreGeneral Biochemistry Genetics and Molecular BiologyBioconductor03 medical and health sciencestranscriptomicsproteomicsCode trackinggenomicsinteractiveGeneral Pharmacology Toxicology and PharmaceuticsInteractive visualizationvisualizationBiological dataGeneral Immunology and MicrobiologySoftware Tool ArticleshinyRGeneral MedicineArticlesSoftware packageObject (computer science)Visualization030104 developmental biologyData miningVisual interfacecomputerF1000Research
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LipidMS: An R Package for Lipid Annotation in Untargeted Liquid Chromatography-Data Independent Acquisition-Mass Spectrometry Lipidomics.

2018

High resolution LC-MS untargeted lipidomics using data independent acquisition (DIA) has the potential to increase lipidome coverage, as it enables the continuous and unbiased acquisition of all eluting ions. However, the loss of the link between the precursor and the product ions combined with the high dimensionality of DIA data sets hinder accurate feature annotation. Here, we present LipidMS, an R package aimed to confidently identify lipid species in untargeted LC-DIA-MS. To this end, LipidMS combines a coelution score, which links precursor and fragment ions with fragmentation and intensity rules. Depending on the MS evidence reached by the identification function survey, LipidMS provi…

0301 basic medicineChromatographyChemistry010401 analytical chemistryLipidomeMass spectrometry01 natural sciencesLipids0104 chemical sciencesAnalytical Chemistry03 medical and health sciencesR packageAnnotation030104 developmental biologyNon-alcoholic Fatty Liver DiseaseTandem Mass SpectrometryLipidomicsLipidomicsHumansData-independent acquisitionHigh dimensionalityData dependentBiomarkersDatabases ChemicalChromatography LiquidAnalytical chemistry
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A Two-Cohort RNA-seq Study Reveals Changes in Endometrial and Blood miRNome in Fertile and Infertile Women

2018

The endometrium undergoes extensive changes to prepare for embryo implantation and microRNAs (miRNAs) have been described as playing a significant role in the regulation of endometrial receptivity. However, there is no consensus about the miRNAs involved in mid-secretory endometrial functions. We analysed the complete endometrial miRNome from early secretory (pre-receptive) and mid-secretory (receptive) phases from fertile women and from patients with recurrent implantation failure (RIF) to reveal differentially expressed (DE) miRNAs in the mid-secretory endometrium. Furthermore, we investigated whether the overall changes during early to mid-secretory phase transition and with RIF conditio…

0301 basic medicineInfertilitySmall RNAlcsh:QH426-470endometrial receptivityPopulationRNA-SeqBiologyEndometriumArticleAndrologyACTIVATION03 medical and health sciencesEMBRYO IMPLANTATION0302 clinical medicineRecurrent implantation failure3123 Gynaecology and paediatricsRESOURCEmicroRNAGeneticsmedicineeducationGenetics (clinical)education.field_of_study030219 obstetrics & reproductive medicinemicroRNASIGNATURE1184 Genetics developmental biology physiologyEmbryoMicroRNAmedicine.diseaseTIMElcsh:Genetics030104 developmental biologymedicine.anatomical_structureEndometrial receptivityInfertilityDIFFERENTIAL EXPRESSION ANALYSISCohortRECURRENT IMPLANTATION FAILURE3111 BiomedicineMIR-30DinfertilitySmall RNA-seqsmall RNA-seqPACKAGE
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Association between DNA methylation and ADHD symptoms from birth to school age: a prospective meta-analysis

2020

Funder: Gouvernement du Canada | Canadian Institutes of Health Research (Instituts de Recherche en Santé du Canada); doi: https://doi.org/10.13039/501100000024

0301 basic medicineOncology3124 Neurology and psychiatryEpigenesis GeneticACTIVATION0302 clinical medicine3123 Gynaecology and paediatricsPregnancyProspective StudiesProspective cohort studyChildRISK0303 health sciencesSchoolsATTENTION-DEFICIT/HYPERACTIVITY DISORDERMethylation3. Good healthPsychiatry and Mental healthMeta-analysisChild PreschoolDNA methylation/dk/atira/pure/sustainabledevelopmentgoals/good_health_and_well_beingBiomarker (medicine)FemalePACKAGEmedicine.medical_specialtyAdolescent515 PsychologyArticlelcsh:RC321-571Cellular and Molecular Neuroscience03 medical and health sciencesSDG 3 - Good Health and Well-beingInternal medicinemedicineGeneticsAttention deficit hyperactivity disorderHumansEpigeneticslcsh:Neurosciences. Biological psychiatry. NeuropsychiatryBiological Psychiatry030304 developmental biologyGenetic associationPregnancybusiness.industryInfant NewbornPERFORMANCEDNA Methylationmedicine.diseaseGENE030104 developmental biologyAttention Deficit Disorder with HyperactivityCOHORT PROFILEEtiologybusinessPsychiatric disorders030217 neurology & neurosurgery
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MetProc: Separating Measurement Artifacts from True Metabolites in an Untargeted Metabolomics Experiment

2019

High-throughput metabolomics using liquid chromatography and mass spectrometry (LC/MS) provides a useful method to identify biomarkers of disease and explore biological systems. However, the majority of metabolic features detected from untargeted metabolomics experiments have unknown ion signatures, making it critical that data should be thoroughly quality controlled to avoid analyzing false signals. Here, we present a postalignment method relying on intermittent pooled study samples to separate genuine metabolic features from potential measurement artifacts. We apply the method to lipid metabolite data from the PREDIMED (PREvención con DIeta MEDi-terránea) study to demonstrate clear remova…

0301 basic medicinePooled QC sampleComputer scienceComputational biology01 natural sciencesBiochemistryArticle03 medical and health sciencesMetabolomicsTandem Mass SpectrometryMetabolomicsUntargeted metabolomics010401 analytical chemistryGeneral ChemistryPotential measurementMeasurement artifactLipidsPredimed0104 chemical sciencesR package030104 developmental biologyUntargeted metabolomicsMetabolomeArtifactsMETABOLIC FEATURESBiomarkersMissing patternChromatography LiquidJournal of Proteome Research
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A multilevel statistical toolkit to study animal social networks: Animal Network Toolkit (ANT) R package

2018

AbstractHow animals interact and develop social relationships regarding, individual attributes, sociodemographic and ecological pressures is of great interest. New methodologies, in particular Social Network Analysis, allow us to elucidate these types of questions. However, the different methodologies developed to that end and the speed at which they emerge make their use difficult. Moreover, the lack of communication between the different software developed to provide an answer to the same/different research questions is a source of confusion. The R package Animal Network Toolkit (ANT) was developed with the aim of implementing in one package the many different social network analysis tech…

0301 basic medicineSocial networkbusiness.industryComputer scienceData science03 medical and health sciencesR package030104 developmental biology0302 clinical medicine[SDE]Environmental SciencesSocial relationshipbusinessSocial network analysis030217 neurology & neurosurgery
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Validation of ThermoHuman automatic thermographic software for assessing foot temperature before and after running

2020

The aim of the study was to evaluate an automatic thermographic software package (ThermoHuman®) for assessing skin temperature on the soles of the feet before and after running and to compare it with two manual definitions of the regions of interest (ROIs). 120 thermal images of the soles of the feet of 30 participants, at two measurement points (before and after running 30 min) and on two measurement days were analyzed. Three different models of thermographic image analyses were used to obtain the mean temperature of 9 ROIs: A) ThermoHuman (automatic definition of ROIs using ThermoHuman® software), B) Manual (manual delimitation of ROIs by proportion criteria), and C) Manual-TH (manual del…

AdultMale0106 biological sciencesPhysiologyComputer scienceSoftware Validation030310 physiology010603 evolutionary biology01 natural sciencesBiochemistryRunningYoung Adult03 medical and health sciencesSoftwareImage Processing Computer-AssistedHumansReliability (statistics)0303 health sciencesFootbusiness.industrySkin temperaturePattern recognitionReplicateSoftware packageThermographyFemaleArtificial intelligenceSkin TemperatureGeneral Agricultural and Biological SciencesbusinessSoftwareDevelopmental BiologyJournal of Thermal Biology
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