Search results for " shell"

showing 10 items of 307 documents

A discontinuous Galerkin formulation for nonlinear analysis of multilayered shells refined theories

2023

A novel pure penalty discontinuous Galerkin method is proposed for the geometrically nonlinear analysis of multilayered composite plates and shells, modelled via high-order refined theories. The approach allows to build different two-dimensional equivalent single layer structural models, which are obtained by expressing the covariant components of the displacement field through-the-thickness via Taylor’s polynomial expansion of different order. The problem governing equations are deduced starting from the geometrically nonlinear principle of virtual displacements in a total Lagrangian formulation. They are addressed with a pure penalty discontinuous Galerkin method using Legendre polynomial…

Mechanics of MaterialsMultilayered shells Geometrical nonlinearity Discontinuous Galerkin method High-order modellingMechanical EngineeringGeneral Materials ScienceSettore ING-IND/04 - Costruzioni E Strutture AerospazialiCondensed Matter PhysicsCivil and Structural EngineeringInternational Journal of Mechanical Sciences
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Contrasting shell growth strategies in two Mediterranean bivalves revealed by oxygen-isotope ratio geochemistry: The case of Pecten jacobaeus and Gly…

2019

International audience; High-resolution stable-isotope ratio data (delta O-18, delta O-18) were used to study growth strategies of two bivalve species, Pecten jacobaeus (calcitic shell) and Glycymeris pilosa (aragonitic shell) from the North Adriatic Sea. The principal objectives of this study were to identify the period of the year when the growth line is formed in the shell of two target species, to identify the main growing season of these two species, to identify the environmental drivers of shell growth, and to evaluate the potential applicability of delta O-18 and delta O-18 values for the reconstruction of environmental variability. Samples were collected from the North Adriatic Sea …

Mediterranean climate010504 meteorology & atmospheric sciencesPecten jacobaeusTemperature salinity diagramsGrowing seasonMediterranean010502 geochemistry & geophysics01 natural sciencesBivalve shellsWater columnSclerochronologyGeochemistry and PetrologySclerochronology14. Life underwaterAdriatic0105 earth and related environmental sciencesbiologyACLGeologyOxygen isotope ratio cyclebiology.organism_classificationOceanographyStable-isotope ratio geochemistrySeawater[SDE.BE]Environmental Sciences/Biodiversity and EcologyGeologysclerochronology ; Mediterranean ; Adriatic ; stable-isotope ratio geochemistry ; bivalve shells
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Trace and minor element records in aragonitic bivalve shells as environmental proxies

2019

Abstract Investigation of the geochemical composition of bivalve shells can provide information on changes in the marine environment occurring during the lifespan of an organism. Three species, locally abundant in the Adriatic Sea, were chosen in this study, namely Glycymeris pilosa, Callista chione, and Venus verrucosa. Of these, G. pilosa has the longest lifespan, exceeding 50 years, and therefore presents a potential archive of decadal climate variability. The other two species, C. chione and V. verrucosa, are commercially important. Samples were collected alive by SCUBA diving in the North Adriatic Sea, near Barbariga, Istria. Major growth increments in these shells form on an annual ba…

Mediterranean climateSclerochronology ; Mediterranean ; Adriatic ; Element records ; Geochemistry ; Bivalve shells010504 meteorology & atmospheric sciencesbiologyPilosaGrowing seasonGeologyForcing (mathematics)Plankton010502 geochemistry & geophysicsbiology.organism_classification01 natural sciencesChioneScuba divingOceanography13. Climate actionGeochemistry and PetrologySeawater14. Life underwaterGeology0105 earth and related environmental sciences
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Oxygen and carbon stable isotopes ofMytilus galloprovincialisLamarck, 1819 shells as environmental and provenance proxies

2019

Mollusc shell stable isotopes are commonly used to reconstruct past environmental conditions. However, despite being abundant components of natural and anthropogenic fossil accumulations, the geochemical composition of mussel shells ( Mytilus spp.) has rarely received attention in palaeoenvironmental studies. This study tests the suitability of oxygen isotopes (δ18Os) of Mytilus galloprovincialis as palaeothermometer. For 1 year, mussels and water samples were collected twice a month from Berria Beach, in Northern Spain. The geochemical data of the shells indicate that water temperatures can be reconstructed with an average offset of 1.2 ± 0.7°C with respect to the measured values. Furtherm…

Mediterranean musselArcheologyGlobal and Planetary ChangeProvenanceEcologybiologyStable isotope ratioPaleontologychemistry.chemical_elementbiology.organism_classificationOxygenNatural (archaeology)MytiluschemistryEnvironmental chemistryMollusc shellEnvironmental scienceCarbonEarth-Surface ProcessesThe Holocene
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Density functional study of Cu2+-phenylalanine complex under micro-solvation environment

2013

Abstract We present an atomistic study carried out using density functional calculations including structural relaxations and Car–Parrinello Molecular Dynamics (CPMD) simulations, aiming to investigate the structures of phenylalanine-copper (II) ([Phe-Cu] 2+ ) complexes and their micro-solvation processes. The structures of the [Phe-Cu] 2+ complex with up to four water molecules are optimized using the B3LYP/6-311++G** model in gas phase to identify the lowest energy structures at each degree of solvation ( n  = 0–4). It is found that the phenylalanine appears to be in the neutral form in isolated and mono-hydrated complexes, but in the zwitterionic form in other hydrated complexes (with n …

Models MolecularCar–Parrinello molecular dynamicsPhenylalanineMolecular ConformationDFTMolecular dynamicsMaterials ChemistryMicro-solvationMoleculePhysical and Theoretical ChemistryPhenylalanine-copper (II) complexStructural motifta116Spectroscopyta114LigandHydrogen bondChemistrySolvationHydrogen BondingComputer Graphics and Computer-Aided DesignCrystallographySolvation shellModels ChemicalCPMDCopperJOURNAL OF MOLECULAR GRAPHICS AND MODELLING
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Role of Solvent on Nonenzymatic Peptide Bond Formation Mechanisms and Kinetic Isotope Effects

2013

Based on the hypothesis that similar mechanisms are involved in the peptide bond formation in aqueous solution and in the ribosome, the aminolysis of esters in aqueous solution has been the subject of numerous studies as the reference reaction for the catalyzed process. The mechanisms proposed in the literature have been explored in the present paper by hybrid QM/MM molecular dynamics simulations. The free energy profiles have been computed with the QM region of the system described at semiempirical AM1 level and by DFT within the M06-2X functional. According to the results, the formation of adduct zwitterion species is a preliminary step required for all possible mechanisms. Then, from dif…

Models MolecularEster aminolysisMolecular Dynamics SimulationMethyl formateBiochemistryCatalysisMolecular dynamicschemistry.chemical_compoundColloid and Surface ChemistryAminolysisIsotopesComputational chemistryKinetic isotope effectOrganic chemistryPeptide bondConformational isomerismDensity functionalsChemistryAqueous-solutionGeneral ChemistryHydrazinolysisRibosomeTransition stateKineticsSolvation shellChorismate mutaseZwitterionSolventsTransition-state structuresPeptides
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Elucidation of Carbohydrate Molecular Interaction Mechanism of Recombinant and Native ArtinM

2013

[EN] The quartz crystal microbalance (QCM) technique has been applied for monitoring the biorecognition of ArtinM lectins at low horseradish peroxidase glycoprotein (HRP) concentrations, using a simple kinetic model based on Langmuir isotherm in previous work.(18) The latter approach was consistent with the data at dilute conditions but it fails to explain the small differences existing in the jArtinM and rArtinM due to ligand binding concentration limit. Here we extend this analysis to differentiate sugar-binding event of recombinant (rArtinM) and native (jArtinM) ArtinM lectins beyond dilute conditions. Equivalently, functionalized quartz crystal microbalance with dissipation monitoring (…

Models MolecularPROTEIN ADSORPTIONSURFACEKM+Horseradish peroxidaselaw.inventionsymbols.namesakelawQUARTZ-CRYSTAL MICROBALANCEBINDINGQUIMICA ANALITICAMaterials ChemistryPhysical and Theoretical ChemistrySPECIFICITYGlycoproteinsBinding SitesChromatographybiologyChemistryLectinLangmuir adsorption modelQuartz crystal microbalanceQuartz Crystal Microbalance TechniquesLECTINRecombinant ProteinsSurfaces Coatings and FilmsMannose-Binding LectinsSolvation shellHYDRATION-SHELLQuartz Crystal Microbalance TechniquesBiophysicsbiology.proteinRecombinant DNAsymbolsPlant LectinsBIOMOLECULAR ADSORPTIONARTOCARPINProtein adsorption
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Self-assembly of semiflexible polymers confined to thin spherical shells

2018

Confinement effects are critical for stiff macromolecules in biological cells, vesicles, and other systems in soft matter. For these molecules, the competition between the packing entropy and the enthalpic cost of bending is further shaped by strong confinement effects. Through coarse-grained molecular dynamics simulations, we explore the self-assembly of semiflexible polymers confined in thin spherical shells for various chain lengths, chain stiffnesses, and shell thicknesses. Here, we focus on the case where the contour and persistence length of the polymers are comparable to the radius of the confining cavity. The range of ordered structures is analyzed using several order parameters to …

Models Molecularchemistry.chemical_classificationPersistence lengthMaterials scienceCondensed matter physicsPolymersMolecular Conformation02 engineering and technologyGeneral ChemistryPolymer021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesSpherical shellTopological defectCondensed Matter::Soft Condensed MatterMolecular dynamicschemistryLiquid crystal0103 physical sciencesMonolayerSoft matter010306 general physics0210 nano-technologyMechanical PhenomenaSoft Matter
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Bivalve mollusks shells valorisation and recycling: market potentiality and novel building products

2023

Construction is a fundamental driver of the world economy, recognized as a sector that generates a great contribution to the social and economic development. At the same time, it shows an enormous environmental impact through an unstoppable consumption of non-renewable resources, a high energy consumption, and an associated atmospheric emission of pollutant. Consequently, the research and development of novel and green production processes and sustainable building materials is of paramount importance. The sustainability of materials and production processes could be improved by enhancing and reusing wastes from various industrial sectors. In this paper, the fishery sector will be analysed, …

Mollusk Shells Valorization &ampRecycle Novel Building Materials Building Products Circular Economy.Settore ICAR/10 - Architettura Tecnica
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One-piece micropumps from liquid crystalline core-shell particles

2012

Responsive polymers are low-cost, light weight and flexible, and thus an attractive class of materials for the integration into micromechanical and lab-on-chip systems. Triggered by external stimuli, liquid crystalline elastomers are able to perform mechanical motion and can be utilized as microactuators. Here we present the fabrication of one-piece micropumps from liquid crystalline core-shell elastomer particles via a microfluidic double-emulsion process, the continuous nature of which enables a low-cost and rapid production. The liquid crystalline elastomer shell contains a liquid core, which is reversibly pumped into and out of the particle by actuation of the liquid crystalline shell i…

MultidisciplinaryMaterials scienceliquid crystal elastomerLiquid crystallineMicrofluidicsmicrofluidicsGeneral Physics and AstronomyMicropumpLiquid crystal elastomerGeneral ChemistryGeneral Biochemistry Genetics and Molecular BiologyCore shell: Multidisciplinary general & others [G99] [Physical chemical mathematical & earth Sciences]Composite materialActuatoractuator: Multidisciplinaire général & autres [G99] [Physique chimie mathématiques & sciences de la terre]
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