Search results for "chemistry [Peptide Fragments]"

showing 10 items of 2849 documents

Enhancing the Iterative Smoothed Particle Hydrodynamics Method

2021

Motivated by recent research on the iterative approach proposed for the smoothed particle hydrodynamics (ISPH) method, some ideas to improve the process are introduced. The standard procedure is enhanced iterating on the residuals preserving the matrix-free nature of the process. The method is appealing providing reasonable results with disordered data distribution too and no kernel variations are needed in the approximation. This work moves forward with a novel formulation requiring a lower number of iterations to reach a desired accuracy. The computational procedure is described and some results are introduced to appreciate the proposed formulation.

smoothed particle hydrodynamics02 engineering and technologylcsh:Technology01 natural scienceslcsh:ChemistrySmoothed-particle hydrodynamicsSettore MAT/08 - Analisi Numerica0202 electrical engineering electronic engineering information engineeringGeneral Materials Science0101 mathematicslcsh:QH301-705.5InstrumentationFluid Flow and Transfer ProcessesPhysicslcsh:TProcess Chemistry and TechnologyGeneral Engineering020206 networking & telecommunicationsMechanicslcsh:QC1-999Computer Science Applications010101 applied mathematicskernel methodresidualslcsh:Biology (General)lcsh:QD1-999lcsh:TA1-2040lcsh:Engineering (General). Civil engineering (General)lcsh:PhysicsKernel method Residuals Smoothed particle hydrodynamicsApplied Sciences
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Friction and Heat Transfer in Membrane Distillation Channels: An Experimental Study on Conventional and Novel Spacers

2022

The results of an experimental investigation on pressure drop and heat transfer in spacer-filled plane channels, which are representative of Membrane Distillation units, are presented and discussed. Local and mean heat transfer coefficients were obtained by using Thermochromic Liquid Crystals and Digital Image Processing. The performances of a novel spacer geometry, consisting of spheres that are connected by cylindrical rods, and are hereafter named spheres spacers, were compared with those of more conventional woven and overlapped spacers at equal values of the Reynolds number Re (in the range ~150 to ~2500), the pitch-to-channel height ratio, the flow attack angle and the thermal boundar…

spacer-filled channelSettore ING-IND/26 - Teoria Dello Sviluppo Dei Processi ChimiciProcess Chemistry and Technologyheat transferChemical Engineering (miscellaneous)Membrane distillationFiltration and Separationspheres spacermembrane distillation; heat transfer; pressure drop; spacer-filled channel; spheres spacer; thermochromic liquid crystalsthermochromic liquid crystalsSettore ING-IND/19 - Impianti Nuclearipressure dropMembranes
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Heterogeneous photocatalysis: guidelines on experimental setup, catalyst characterization, interpretation, and assessment of reactivity

2019

Soon after the publication of the first pioneering works on heterogeneous photocatalysis, the number of papers on this topic continuously increased. This intriguing field of research is very complex as it endows with an interdisciplinary overview that involves different aspects of chemistry, physics, material and environmental sciences. Even if photocatalytic applications in real processes are often difficult to be implemented and scaled-up, investigations at laboratory scale are easy to be performed, and in some cases they may give rise to misconceptions. For this reason, the present work aims to sum up most of the common experimental techniques and procedures generally used in heterogeneo…

standardizationcharacterization techniqueSettore ING-IND/24 - Principi Di Ingegneria ChimicaChemistryProcess Chemistry and TechnologyChemistry (all)Nanotechnology02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesHeterogeneous photocatalysiCatalysisCatalysi0104 chemical sciencesCatalysisCharacterization (materials science)Photocatalysisengineering aspectexperimental procedureSettore CHIM/07 - Fondamenti Chimici Delle Tecnologie0210 nano-technology
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In situ measurements of background aerosol and subvisible cirrus in the tropical tropopause region

2002

[1] In situ aerosol measurements were performed in the Indian Ocean Intertropical Convergence Zone (ITCZ) region during the Airborne Polar Experiment-Third European Stratospheric Experiment on Ozone (APE-THESEO) field campaign based in Mahe, Seychelles between 24 February and 6 March 1999. These are measurements of particle size distributions with a laser optical particle counter of the Forward Scattering Spectrometer Probe (FSSP)-300 type operated on the Russian M-55 high-altitude research aircraft Geophysica in the tropical upper troposphere and lower stratosphere up to altitudes of 21 km. On 24 and 27 February 1999, ultrathin layers of cirrus clouds were penetrated by Geophysica directly…

subvisualAtmospheric ScienceParticle numberMeteorologyaerosolsubvisible cirrusSoil SciencecirrusAquatic ScienceOceanographyAtmospheric sciencestropicsTroposphereGeochemistry and Petrologytropopauseddc:550Earth and Planetary Sciences (miscellaneous)StratosphereEarth-Surface ProcessesWater Science and TechnologyEcologybackgroundPaleontologyForestryJAerosolGeophysicsLidarSpace and Planetary ScienceEnvironmental scienceCirrusTropopauseParticle counterJournal of Geophysical Research: Atmospheres
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High-Performance Lead-Acid Batteries Enabled by Pb and PbO2 Nanostructured Electrodes: Effect of Operating Temperature

2021

Lead-acid batteries are now widely used for energy storage, as result of an established and reliable technology. In the last decade, several studies have been carried out to improve the performance of this type of batteries, with the main objective to replace the conventional plates with innovative electrodes with improved stability, increased capacity and a larger active surface. Such studies ultimately aim to improve the kinetics of electrochemical conversion reactions at the electrode-solution interface and to guarantee a good electrical continuity during the repeated charge/discharge cycles. To achieve these objectives, our contribution focuses on the employment of nanostructured electr…

temperature testTechnologyMaterials scienceQH301-705.5template electrodepositionQC1-999Nanotechnology02 engineering and technology010402 general chemistryElectrosynthesis01 natural sciencesEnergy storageHigh C-rate cycling Lead nanowires Lead-acid battery Nanostructures cycling efficiency Temperature test Template electrodepositionOperating temperatureSettore ING-IND/17 - Impianti Industriali MeccaniciGeneral Materials ScienceBiology (General)Lead–acid batteryInstrumentationQD1-999Separator (electricity)Fluid Flow and Transfer Processeshigh C-rate cyclingNanoporouslead-acid batteryProcess Chemistry and TechnologyTPhysicsGeneral Engineeringlead nanowiresActive surface021001 nanoscience & nanotechnologyEngineering (General). Civil engineering (General)0104 chemical sciencesComputer Science ApplicationsChemistrySettore ING-IND/23 - Chimica Fisica ApplicataElectrodenanostructures cycling efficiencyTA1-20400210 nano-technologyApplied Sciences
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Calcium mediated polyelectrolyte adsorption on like-charged surfaces.

2011

International audience; Monte Carlo simulations within the primitive model of calcium-mediated adsorption of linear and comb polyelectrolytes onto like-charged surfaces are described, focusing on the effect of calcium and polyion concentrations as well as on the ion pairing between polymers and calcium ions. We use a combination of Monte Carlo simulations and experimental data from titration and calcium binding to quantify the ion pairing. The polymer adsorption is shown to occur as a result of surface overcharging by Ca2+ and ion pairing between charged monomers and Ca2+. In agreement with experimental observations, the simulations predict that the polymer adsorption isotherm goes through …

titrationInorganic chemistrychemistry.chemical_element02 engineering and technologyCalcium010402 general chemistry01 natural sciencesIonQuantitative Biology::Cell BehaviorQuantitative Biology::Subcellular ProcessesinterfacesAdsorptionElectrochemistryGeneral Materials ScienceSpectroscopypolyelectrolytechemistry.chemical_classificationQuantitative Biology::BiomoleculesQuantitative Biology::Neurons and CognitionSurface Chemistry and ColloidsSurfaces and InterfacesPolymerPolymer adsorption021001 nanoscience & nanotechnologyCondensed Matter PhysicsPolyelectrolyte0104 chemical sciencesCondensed Matter::Soft Condensed Matter[ PHYS.PHYS.PHYS-CHEM-PH ] Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]chemistryPolyelectrolyte adsorptionChemical physicsadsorptionMonte Carlo SimulationsTitration[PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]0210 nano-technologyLangmuir : the ACS journal of surfaces and colloids
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Phase equilibria of Pantelleria trachytes (Italy): constraints on pre-eruptive conditions and on the metaluminous to peralkaline transition in silici…

2018

Pantelleria Island is the type locality of pantellerite, an iron and alkali-rich rhyolite (P.I=molar Na2O+K2O/Al2O3 >1.05). Peralkaline rhyolites (i.e pantellerite and comendite) and trachytes usually represent the felsic end-members in continental rift systems (e.g., Pantelleria, Tibesti, Ethiopia, Afar, Kenya, Bain and Range, South Greenland) and in oceanic sland settings (Socorro Is., Easter Is., Iceland and Azores). The origin of peralkaline rhyolites in the different tectonic settings is still a matter of debate and three hypotheses have been suggested: (a) crystal fractionation of alkali-basalt in a shallow reservoir to produce a trachyte which subsequently gives rise to a pantelle…

trachytepantellerite010504 meteorology & atmospheric sciencesliquid line of descentAnalytical chemistry[SDU.STU]Sciences of the Universe [physics]/Earth SciencesLiquidusengineering.materialmetaluminous–peralkaline transition010502 geochemistry & geophysics01 natural sciencesPeralkaline rocklaw.inventionGeochemistry and Petrologylawexperimental petrology[SDU.STU.VO]Sciences of the Universe [physics]/Earth Sciences/Volcanology62 pantelleriteCrystallizationperalkaline silicic magmatism0105 earth and related environmental sciencesBasaltFelsicFractional crystallization (geology)OlivineSettore GEO/07 - Petrologia E PetrografiaGeophysics[SDU]Sciences of the Universe [physics]13. Climate action63 liquid line of descentmetaluminous-peralkaline transitionengineeringAlkali feldsparGeologyPantelleria
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Dipeptidyl Enoates As Potent Rhodesain Inhibitors That Display a Dual Mode of Action

2015

Dipeptidyl enoates were prepared through a high-yielding two-step synthetic route. They have a dipeptidic structure with a 4-oxoenoate moiety as a warhead with multiple reactive sites. Dipeptidyl enoates were screened against rhodesain and human cathepsins B and L, and were found to be potent and selective inhibitors of rhodesain. Among them (S,E)-ethyl 5-((S)-2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanamido)-7-methyl-4-oxooct-2-enoate (6) was the most potent, with an IC50 value of 16.4 nm and kinact/Ki=1.6×106 m−1 s−1 against rhodesain. These dipeptidyl enoates display a reversible mode of inhibition at very low concentrations and an irreversible mode at higher concentrations. Inhibition…

trypanosomiasisStereochemistrysleeping sicknessCathepsin LDrug Evaluation PreclinicalChemistry Techniques SyntheticInhibition kineticsCysteine Proteinase InhibitorsBiochemistryCathepsin BInhibitory Concentration 50Structure-Activity RelationshipinhibitorsDrug DiscoveryHumansMoietyMolecular Targeted TherapyGeneral Pharmacology Toxicology and PharmaceuticsIC50Volume concentrationrhodesainPharmacologyChemistryOrganic ChemistryDual modeDipeptidesTrypanocidal AgentsCombinatorial chemistryMolecular Docking SimulationCysteine EndopeptidasesKineticsdipeptidyl enoatesTrypanosomiasis AfricanDocking (molecular)Molecular MedicineCysteine thiolateChemMedChem
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Experimental Constraints on the Deep Magma Feeding System at StromboliVolcano, Italy

2009

International audience; New experiments have been performed on a high-K basalt (PST-9) from Stromboli volcano, Italy, to constrain the physical conditions of golden pumice magmas at their storage level and discuss their petrogenesis. Fluid-present, H2O- and CO2-bearing, near-liquidus experiments were performed at 11508C between 100 and 400MPa and under oxidizing conditions. Glasses were analyzed by Fourier transform IR spectroscopy and their H2O and CO2 concentrations compared with those in glass inclusions.Most glass inclusions cluster near the 200MPa isobar, suggesting entrapment at a depth of ~8 km. Golden pumice magmas have viscosities of 7.9 Pa s and densities of 2.48-2.57 g/cm3. Compo…

ultra-calcic melts010504 meteorology & atmospheric sciences[SDE.MCG]Environmental Sciences/Global ChangesMineralogyLiquidus010502 geochemistry & geophysics01 natural sciencesphysical propertiesGeochemistry and PetrologyPumiceexperimental petrology[SDU.STU.VO]Sciences of the Universe [physics]/Earth Sciences/VolcanologyStromboli0105 earth and related environmental sciencesMelt inclusionsPetrogenesisBasaltgeographygeography.geographical_feature_categorygolden pumiceSettore GEO/07 - Petrologia E PetrografiaGeophysicsVolcano13. Climate actionMagmaexperimental petrology Stromboli yellow pumicePrimitive mantlemagma storageGeology
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Ultra-high temperature metamorphism recorded in Fe-rich olivine-bearing migmatite from the Khondalite Belt, North China Craton

2018

International audience; We document the first occurrence of Fe‐rich olivine‐bearing migmatitic metapelite in the Khondalite Belt, North China Craton. Petrological analyses revealed two exotic assemblages of orthopyroxene+spinel+olivine and orthopyroxene+spinel+cordierite. Phase relation modelling suggests that these assemblages are diagnostic of ultra‐high temperature (UHT) metamorphism in the Fe‐rich system, with temperatures from 1,000 to 1,050°C at 0.6 GPa. U–Th–Pb SIMS analyses on zircon reveal a similar age of c. 1.92 Ga for the olivine‐bearing migmatite and an adjacent gabbronoritic intrusion that is therefore identified as the heat source for the UHT metamorphism. These results, coup…

ultra-high temperature metamorphism010504 meteorology & atmospheric sciencesGeochemistry[SDU.STU.PE]Sciences of the Universe [physics]/Earth Sciences/PetrographyMetamorphismengineering.material010502 geochemistry & geophysics01 natural sciencesNorth China CratonKhondalite BeltGeochemistry and PetrologymigmatitesPetrology0105 earth and related environmental sciences[ SDU.STU.PE ] Sciences of the Universe [physics]/Earth Sciences/Petrographygeographygeography.geographical_feature_categoryOlivineUltra-high-temperature metamorphismGeologymetamorphic olivineMigmatiteGranuliteCraton13. Climate actionengineeringKhondaliteMaficGeology
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