Search results for "GRI"

showing 10 items of 10209 documents

Nature lessons: the whitefly bacterial endosymbiont is a minimal amino acid factory with unusual energetics

2016

Reductive genome evolution is a universal phenomenon observed in endosymbiotic bacteria in insects. As the genome reduces its size and irreversibly losses coding genes, the functionalities of the cell system, including the energetics processes, are more restricted. Several energetic pathways can also be lost. How do these reduced metabolic networks sustain the energy needs of the system? Among the bacteria with reduced genomes Candidatus Portiera aleyrodidarum, obligate endosymbiont of whiteflies, represents an extreme case since lacks several key mechanisms for ATP generation. Thus, to analyze the cell energetics in this system, a genome-scale metabolic model of this endosymbiont was const…

0301 basic medicineStatistics and ProbabilityGenome evolutionAnabolismSystems biology030106 microbiologyCell EnergeticsBiologyModels BiologicalGenomeGeneral Biochemistry Genetics and Molecular BiologyHemiptera03 medical and health sciencesMetabolic flux analysisAnimalsAmino AcidsSymbiosisGeneGenome sizeCarotenoidchemistry.chemical_classificationGeneral Immunology and MicrobiologyObligateApplied MathematicsEnergeticsGeneral MedicineMetabolismbeta Carotenebiology.organism_classificationMetabolic Flux AnalysisAmino acidHalomonadaceae030104 developmental biologychemistryBiochemistryModeling and SimulationEnergy MetabolismGeneral Agricultural and Biological SciencesGenome BacterialMetabolic Networks and PathwaysBacteria
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Mathematical investigation of innate immune responses to lung cancer: The role of macrophages with mixed phenotypes

2021

Abstract Macrophages’ role in the evolution of solid tumours is a well accepted fact, with the M1-like macrophages having an anti-tumour role and the M2-like macrophages having a pro-tumour role. Despite the fact that some clinical studies on lung tumours have emphasised also the presence of macrophages with mixed M1 and M2 phenotypes in addition to macrophages with distinct phenotypes, the majority of studies still use the distinct M1-M2 classification to predict the evolution of tumours and patient survival. In this theoretical study we use a mathematical modelling and computational approach to investigate the role of macrophages with mixed phenotype on growth/control/elimination of lung …

0301 basic medicineStatistics and ProbabilityLung Neoplasms[SDV]Life Sciences [q-bio]BiologyGeneral Biochemistry Genetics and Molecular Biology03 medical and health sciences0302 clinical medicinemedicineMacrophageHumans[NLIN]Nonlinear Sciences [physics][MATH]Mathematics [math]Lung cancerComputingMilieux_MISCELLANEOUSInnate immune systemGeneral Immunology and MicrobiologyApplied MathematicsMacrophagesPatient survivalGeneral MedicineModels Theoreticalmedicine.diseasePhenotypeImmunity Innate030104 developmental biologyPhenotypeModeling and SimulationCancer researchLung tumoursGeneral Agricultural and Biological Sciences030217 neurology & neurosurgery
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A heuristic, iterative algorithm for change-point detection in abrupt change models

2017

Change-point detection in abrupt change models is a very challenging research topic in many fields of both methodological and applied Statistics. Due to strong irregularities, discontinuity and non-smootheness, likelihood based procedures are awkward; for instance, usual optimization methods do not work, and grid search algorithms represent the most used approach for estimation. In this paper a heuristic, iterative algorithm for approximate maximum likelihood estimation is introduced for change-point detection in piecewise constant regression models. The algorithm is based on iterative fitting of simple linear models, and appears to extend easily to more general frameworks, such as models i…

0301 basic medicineStatistics and ProbabilityMathematical optimizationIterative methodHeuristic (computer science)Linear model01 natural sciencesPiecewise constant model Approximate maximum likelihood Model linearization Grid search limitations010104 statistics & probability03 medical and health sciencesComputational MathematicsDiscontinuity (linguistics)030104 developmental biologyHyperparameter optimizationCovariatePiecewise0101 mathematicsStatistics Probability and UncertaintySettore SECS-S/01 - StatisticaChange detectionMathematics
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Reverse screening on indicaxanthin from Opuntia ficus-indica as natural chemoactive and chemopreventive agent

2018

Indicaxanthin is a bioactive and bioavailable betalain pigment extracted from Opuntia ficus indica fruits. Indicaxanthin has pharmacokinetic proprieties, rarely found in other phytochemicals, and it has been demonstrated that it provides a broad-spectrum of pharmaceutical activity, exerting anti-proliferative, anti-inflammatory, and neuromodulator effects. The discovery of the Indicaxanthin physiological targets plays an important role in understanding the biochemical mechanism. In this study, combined reverse pharmacophore mapping, reverse docking, and text-based database search identified Inositol Trisphosphate 3-Kinase (ITP3K-A), Glutamate carboxypeptidase II (GCPII), Leukotriene-A4 hydr…

0301 basic medicineStatistics and ProbabilityMolecular dynamicPyridinesKainate receptorIndicaxanthinPhytochemical01 natural sciencesGeneral Biochemistry Genetics and Molecular BiologyDocking03 medical and health scienceschemistry.chemical_compoundNeoplasmsGlutamate carboxypeptidase IIData MiningHumansEnzyme InhibitorsMM-GBSAPharmacophore modelingBinding SitesGeneral Immunology and MicrobiologyReverse screening010405 organic chemistryAnti-cancerApplied MathematicsPhosphodiesteraseOpuntiaPhosphoserine phosphataseInositol trisphosphateGeneral MedicineAntineoplastic Agents Phytogenic0104 chemical sciencesBetaxanthinsNeoplasm ProteinsNeuromodulatorMolecular Docking SimulationAnti-inflammatory agent030104 developmental biologychemistryBiochemistryDocking (molecular)Modeling and SimulationPharmacophoreGeneral Agricultural and Biological SciencesIndicaxanthin
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LEGO-based generalized set of two linear algebraic 3D bio-macro-molecular descriptors: Theory and validation by QSARs

2019

Abstract Novel 3D protein descriptors based on bilinear, quadratic and linear algebraic maps in R n are proposed. The latter employs the kth 2-tuple (dis) similarity matrix to codify information related to covalent and non-covalent interactions in these biopolymers. The calculation of the inter-amino acid distances is generalized by using several dis-similarity coefficients, where normalization procedures based on the simple stochastic and mutual probability schemes are applied. A new local-fragment approach based on amino acid-types and amino acid-groups is proposed to characterize regions of interest in proteins. Topological and geometric macromolecular cutoffs are defined using local and…

0301 basic medicineStatistics and ProbabilityNormalization (statistics)GeneralizationQuantitative Structure-Activity RelationshipGeneral Biochemistry Genetics and Molecular Biology03 medical and health sciences0302 clinical medicineLinear regressionAmino AcidsMathematicsGeneral Immunology and MicrobiologyApplied MathematicsStatistical parameterProteinsGeneral MedicineCollinearityStructural Classification of Proteins databaseSupport vector machine030104 developmental biologyModeling and SimulationTest setLinear ModelsGeneral Agricultural and Biological SciencesAlgorithmSoftware030217 neurology & neurosurgeryJournal of Theoretical Biology
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A topological look at human trabecular bone tissue

2017

Bone quality is affected by trabecular architecture at microscopic level. Various abnormalities of bone tissue lead to altered strength and to an increased susceptibility to fracture, such as Osteoporosis and Osteoarthritis, two major health burdens of our society. These are two complex musculoskeletal diseases that mainly concern bone tissue. In the last twenty years, there has been a growing interest in finding an appropriate topological model for the micro-architecture of trabecular bone tissue. In particular, we prove that these models involve general topological spaces. The appropriate notion to deal with is that of CW-complex.

0301 basic medicineStatistics and ProbabilityPathologymedicine.medical_specialtyTrabecular bone tissueOsteoporosis030209 endocrinology & metabolismOsteoarthritisTopological spaceBone tissueTopologyGeneral Biochemistry Genetics and Molecular Biology03 medical and health sciences0302 clinical medicineCW-complexBone DensityBone qualityHumansMedicineGeneral Immunology and Microbiologybusiness.industryApplied MathematicsMicroscopic levelGeneral MedicineAnatomyTrabecular architecturemedicine.diseaseTrabecular bone030104 developmental biologymedicine.anatomical_structureModeling and SimulationCW-complex; Euler characteristic; trabecular bone tissue; Kelvin cellCancellous BoneEuler characteristicSettore MAT/03 - GeometriaGeneral Agricultural and Biological SciencesbusinessKelvin cell
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Viral replication modes in single-peak fitness landscapes: A dynamical systems analysis

2017

Positive-sense, single-stranded RNA viruses are important pathogens infecting almost all types of organisms. Experimental evidence from distributions of mutations and from viral RNA amplification suggest that these pathogens may follow different RNA replication modes, ranging from the stamping machine replication (SMR) to the geometric replication (GR) mode. Although previous theoretical work has focused on the evolutionary dynamics of RNA viruses amplifying their genomes with different strategies, little is known in terms of the bifurcations and transitions involving the so-called error threshold (mutation-induced dominance of mutants) and lethal mutagenesis (extinction of all sequences du…

0301 basic medicineStatistics and ProbabilityRNA virusesMutation rateDynamical systems theoryFitness landscapeMutantBiologyVirus ReplicationGenomeModels BiologicalGeneral Biochemistry Genetics and Molecular Biology03 medical and health sciencesBifurcations0302 clinical medicineMutation RateSingle-peak fitness landscapeError thresholdDynamical systemsReplication modesDifferentiable dynamical systemsEvolutionary dynamics51 - MatemàtiquesGenetics51General Immunology and MicrobiologyModels GeneticApplied MathematicsRNA:Matemàtiques i estadística [Àrees temàtiques de la UPC]General MedicineMutation AccumulationSistemes dinàmics diferenciables030104 developmental biologyViral replicationMutagenesisModeling and SimulationMatemàtiquesGeneral Agricultural and Biological Sciences030217 neurology & neurosurgery
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AFS: identification and quantification of species composition by metagenomic sequencing

2017

Abstract Summary DNA-based methods to detect and quantify taxon composition in biological materials are often based on species-specific polymerase chain reaction, limited to detecting species targeted by the assay. Next-generation sequencing overcomes this drawback by untargeted shotgun sequencing of whole metagenomes at affordable cost. Here we present AFS, a software pipeline for quantification of species composition in food. AFS uses metagenomic shotgun sequencing and sequence read counting to infer species proportions. Using Illumina data from a reference sausage comprising four species, we reveal that AFS is independent of the sequencing assay and library preparation protocol. Cost-sav…

0301 basic medicineStatistics and ProbabilitySequence analysisLibrary preparationComputational biologyBiologyBioinformaticsBiochemistrylaw.invention03 medical and health sciences0404 agricultural biotechnologylawMolecular BiologyPolymerase chain reactionShotgun sequencingHigh-Throughput Nucleotide SequencingSequence Analysis DNA04 agricultural and veterinary sciencesAccession number (bioinformatics)040401 food scienceBiological materialsComputer Science ApplicationsComputational Mathematics030104 developmental biologyComputational Theory and MathematicsMetagenomicsFood MicrobiologyIdentification (biology)MetagenomicsSoftwareBioinformatics
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Sustained oscillations in the MAP kinase cascade.

2016

Abstract The MAP kinase cascade is a network of enzymatic reactions arranged in layers. In each layer occurs a multiple futile cycle of phosphorylations. The fully phosphorylated substrate then serves as an enzyme for the layer below. This paper focuses on the existence of parameters for which Hopf bifurcations occur and generate periodic orbits. Furthermore it is explained how geometric singular perturbation theory allows to generalize results from simple models to more complex ones.

0301 basic medicineStatistics and ProbabilitySingular perturbationDynamical systems theoryMolecular Networks (q-bio.MN)Dynamical Systems (math.DS)MAP kinase cascadeGeneral Biochemistry Genetics and Molecular BiologyQuantitative Biology::Subcellular Processes03 medical and health sciencessymbols.namesakeSimple (abstract algebra)Classical Analysis and ODEs (math.CA)FOS: MathematicsQuantitative Biology - Molecular NetworksSustained oscillationsMathematics - Dynamical SystemsHopf bifurcationPhysics030102 biochemistry & molecular biologyGeneral Immunology and MicrobiologyFutile cycleApplied MathematicsQuantitative Biology::Molecular NetworksGeneral Medicine030104 developmental biologyClassical mechanicsMathematics - Classical Analysis and ODEsModeling and SimulationFOS: Biological sciencessymbolsPeriodic orbitsGeneral Agricultural and Biological SciencesMathematical biosciences
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On the origin of mitosing cells: A historical appraisal of Lynn Margulis endosymbiotic theory

2017

Although for a long-time symbiosis was considered to be quite rare and with no role in evolutionary processes, Lynn Margulis demonstrated that endosymbiotic events played a key role in the origin and evolution of eukaryotic cells. Starting with her seminal assay in the Journal of Theoretical Biology in 1967 (authored as Lynn Sagan), her lifelong work on eukaryogenesis and the role of symbiosis in evolution stands as a valid and authoritative contribution to science. As was quick to acknowledge, she was not the first to discuss the significance of symbiosis to explain the origin of mitochondria and chloroplasts, but no one else had done it to her extent and depth, nor had anyone provided a v…

0301 basic medicineStatistics and ProbabilitySymbiogenesisChloroplastsBiologyGenomeGeneral Biochemistry Genetics and Molecular Biology03 medical and health sciences0302 clinical medicineSymbiosisSymbiosisGeneticsGenomeGeneral Immunology and MicrobiologyApplied MathematicsEukaryotaGeneral MedicineBiological evolutionHistory 20th CenturyBiological EvolutionMitochondria030104 developmental biologyEvolutionary biologyModeling and SimulationGeneral Agricultural and Biological SciencesMetabolic Networks and Pathways030217 neurology & neurosurgeryJournal of Theoretical Biology
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