Search results for "etica."

showing 10 items of 13546 documents

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

2020

Over the last few years, extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high degree of precision. An appealing and challenging route toward engineering materials with tailored properties is to find ways to design or selectively manipulate materials, especially at the quantum level. To this end, having a state-of-the-art ab initio computer simulation tool that enables a reliable and accurate simulation of light-induced changes in the physical and chemical properties of complex systems is of utmost importance. The first principles real-space-based Octopus project was born with that idea in mind,…

spectroscopyPhotonelectronic-structure calculationsComputer sciencespectraQuantum dynamicsmolecular-dynamicsComplex systemGeneral Physics and AstronomyFOS: Physical sciences010402 general chemistryspin01 natural sciencesSettore FIS/03 - Fisica Della MateriaEngineeringTDDFTreal-space0103 physical sciencesoctopusgeneralized gradient approximationPhysical and Theoretical Chemistrydensity-functional theoryMassively parallelQuantumChemical Physicsreal time010304 chemical physicsComputational Physics (physics.comp-ph)scientific software0104 chemical sciencestotal-energy calculationsphysics.comp-phPhysical SciencesChemical Sciencespolarizable continuum modelState of matterSystems engineeringLight drivenDensity functional theoryPhysics - Computational Physics
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Spectroscopic characterization of alkaline earth uranyl carbonates

2005

A series of alkaline uranyl carbonates, M[UO{sub 2}(CO{sub 3}){sub 3}].nH{sub 2}O (M=Mg{sub 2}, Ca{sub 2}, Sr{sub 2}, Ba{sub 2}, Na{sub 2}Ca, and CaMg) was synthesized and characterized by inductively coupled plasma mass spectrometry (ICP-MS) and atomic absorption spectrometry (AAS) after nitric acid digestion, X-ray powder diffraction (XRD), and thermal analysis (TGA/DTA). The molecular structure of these compounds was characterized by extended X-ray absorption fine-structure (EXAFS) spectroscopy and X-ray photoelectron spectroscopy (XPS). Crystalline Ba{sub 2}[UO{sub 2}(CO{sub 3}){sub 3}].6H{sub 2}O was obtained for the first time. The EXAFS analysis showed that this compound consists of …

spectroscopysynthesisAbsorption spectroscopyTRLFSAnalytical chemistryElectron spectroscopyUranyl carbonateuraniumInorganic Chemistrycarbonatechemistry.chemical_compoundXPSMaterials ChemistrystructurePhysical and Theoretical ChemistrySpectroscopyX-ray spectroscopyExtended X-ray absorption fine structureChemistryCondensed Matter PhysicsUranylalkaline earthElectronic Optical and Magnetic MaterialsEXAFSX-ray crystallographyCeramics and CompositesJournal of Solid State Chemistry
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Synthesis and Structure Elucidation of Novel Spirooxindole Linked to Ferrocene and Triazole Systems via [3 + 2] Cycloaddition Reaction

2022

In the present work, a novel heterocyclic hybrid of a spirooxindole system was synthesized via the attachment of ferrocene and triazole motifs into an azomethine ylide by [3 + 2] cycloaddition reaction protocol. The X-ray structure of the heterocyclic hybrid (1″R,2″S,3R)-2″-(1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)-5-methyl-1″-(ferrocin-2-yl)-1″,2″,5″,6″,7″,7a″-hexahydrospiro[indoline-3,3″-pyrrolizin]-2-one revealed very well the expected structure, by using different analytical tools (FTIR and NMR spectroscopy). It crystallized in the triclinic-crystal system and the P-1-space group. The unit cell p…

spirooxindole; ferrocene; triazole; azomethine ylide; [3 + 2] cycloaddition (32CA) reactiontriazoleazomethine ylideChemistry (miscellaneous)Organic ChemistryDrug DiscoveryferroceneMolecular MedicinePharmaceutical Sciencespirooxindole[3 + 2] cycloaddition (32CA) reactionPhysical and Theoretical ChemistryAnalytical ChemistryMolecules; Volume 27; Issue 13; Pages: 4095
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Social psychological aspects of ACL injury prevention and rehabilitation: An integrated model for behavioral adherence

2017

Managing rehabilitation for ACL injury is dependent on uptake of, and compliance with, medical and safety recommendations. In this paper, we propose a multi-theory model that integrates self-determination theory and the theory of planned behavior to identify the motivational determinants ACL injury prevention and management behaviors and the processes involved. nonPeerReviewed

sport injuriessocial cognitive factorsmedicine.medical_specialtyPhysical Injury - Accidents and Adverse Effectsmedicine.medical_treatmentehkäisyBioengineeringPhysical Therapy Sports Therapy and RehabilitationCompliance (psychology)03 medical and health sciences0302 clinical medicinePhysical medicine and rehabilitationpreventionBehavioral and Social ScienceSocial cognitive factorsmedicineOrthopedics and Sports MedicineBehavioral compliance030212 general & internal medicinelcsh:Sports medicinebehavioral complianceta315ta515Treatment motivationRehabilitationbusiness.industryPreventionRehabilitationTheory of planned behaviorInjuries and accidents030229 sport sciencesmusculoskeletal systemmedicine.diseaseACL injurytheoretical integrationGood Health and Well BeingSport injury prevention and rehabilitationtreatment motivationPerspectivePhysical therapyTreatment motivationkuntoutusTheoretical integrationPsychological aspectslcsh:RC1200-1245businessAsia-Pacific Journal of Sports Medicine, Arthroscopy, Rehabilitation and Technology
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Il ruolo della corteccia prefrontale dorsolaterale nella memoria di riconoscimento: uso dellla Stimolazione Magnetica Transcranica per il trattamento…

Il ruolo della corteccia prefrontale dorsolaterale (DLPFC) in compiti di memoria è stato largamente documentato. Una questione ancora molto dibattuta è il grado di lateralizzazione anatomica-funzionale dei processi di controllo esecutivo della DLPFC coinvolti nella memoria di riconoscimento. Il lavoro di tesi indaga le connessioni tra DLPFC e ippocampo mediante l’applicazione di tecniche di neuromodulazione dell’eccitabilità della DLPFC che consentano di accrescere l’attività ippocampale durante compiti di memoria di riconoscimento. I primi tre studi valutano gli effetti inibitori ed eccitatori della rTMS applicata alla DLPFC sulla performance in compiti di memoria di riconoscimento, in div…

stimolazione magnetica transcranica (rTMS)neuromodulazionecorteccia prefrontale dorsolaterale (DLPFC)Alzheimer‘s disease (AD)Settore M-PSI/02 - Psicobiologia E Psicologia FisiologicaMild Cognitive Impairment (MCI)memoria di riconoscimento; corteccia prefrontale dorsolaterale (DLPFC); stimolazione magnetica transcranica (rTMS); encoding; retrieval; Mild Cognitive Impairment (MCI); Alzheimer‘s disease (AD); neuromodulazione;memoria di riconoscimentoencodingretrieval
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I nomi del male e i segni dell'eredità. Pensare, nominare e curare la malattia "genetica" dai Greci a noi

2019

Il volume indaga le radici storiche delle malattie che oggi definiamo genetiche e/o ereditarie, ponendo le premesse terminologiche e scientifiche che stanno a fondamento della riflessione moderna e contemporanea sulla malattia genetica, qui animata dal filo della continuità e della pur forte discontinuità con il pensiero antico. In tal senso, si presenta una retrospettiva storico-critica che, affondando le proprie radici nell’indagine lessicografica dei termini fondanti il pensiero embriogenetico moderno, interroga la validità storica ed epistemica di alcuni concetti e parole-chiave dell’era post-genomica, tra cui quello di causalità, o il rapporto tra natura e cultura, per toccare il nucle…

storia della medicina antica e modernamedical epistemologyGeneticamalattia geneticaGenetica storia della medicina malattiahistory of ancient and modern medicinestoria della medicinahereditary diseasemalattiaterapia medicaepistemologia medicamalattia ereditariamedical therapygenetic diseaseTerminologia medicaMedical terminologySettore L-FIL-LET/02 - Lingua E Letteratura Greca
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Straw as a contemporary biomaterial: energetic efficiency and enviromental sustanaibility

2016

Questo studio ha lo scopo di segnalare ricerche e applicazioni in ambito costruttivo europeo e non solo della paglia, con particolare attenzione all'efficienza energetica e al comfort abitativo. Il riciclo e riutilizzo dei materiali naturali sono gli obiettivi principali nella scelta di paglia come materiale da costruzione, consentendo di adottare un approccio metodologico complessivo, che potrebbe prendere in considerazione l'intero edificio del ciclo di vita. Partendo dalla storia dell'utilizzo di paglia nella costruzione edilizia, saranno riportati molti esempi di edifici che utilizzano tale materiale all'interno del loro involucro e struttura. Le caratteristiche principali della paglia …

strawefficienza energeticasostenibilità ambientaleSettore ICAR/10 - Architettura Tecnicatraditional materialpagliaenvironmental sustainabilityenergy efficiencymateriali tradizionali
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Compared Binding Properties between Resveratrol and Other Polyphenols to Plasmatic Albumin: Consequences for the Health Protecting Effect of Dietary …

2014

International audience; Phytophenols are considered to have beneficial effects towards human physiology. They are food microcomponents with potent chemopreventive properties towards the most three frequent contemporary human diseases, e.g., cardiovascular alterations, cancer and neurodegenerative pathologies. Related to this, the plasmatic form and plasmatic level of plant polyphenols in the body circulation are crucial for their efficiency. Thus, determinations of the binding process of resveratrol and of common flavonoids produced by major edible plants, berries and fruits to plasma proteins are essential. The interactions between resveratrol and albumin, a major plasma protein, were comp…

structural changes[SDV]Life Sciences [q-bio]Pharmaceutical ScienceReviewResveratrolresveratrol01 natural sciencesAnalytical Chemistryquercetinchemistry.chemical_compound[ SDV.BBM.BC ] Life Sciences [q-bio]/Biochemistry Molecular Biology/Biomolecules [q-bio.BM]Resveratrol bindingDrug DiscoveryStilbenesBovine serum albuminComputingMilieux_MISCELLANEOUS0303 health sciencesbiologyfood and beveragesBlood proteins[SDV.BBM.BC]Life Sciences [q-bio]/Biochemistry Molecular Biology/Biomolecules [q-bio.BM]3. Good healthBiochemistryChemistry (miscellaneous)HealthMolecular MedicinefluorescencePlants EdibleQuercetinSerum albuminlcsh:QD241-44103 medical and health scienceslcsh:Organic chemistryHumans[SDV.BBM.BC]Life Sciences [q-bio]/Biochemistry Molecular Biology/Biochemistry [q-bio.BM]Physical and Theoretical ChemistryBinding siteSerum Albumin030304 developmental biologyFlavonoidsBinding Sites010405 organic chemistryOrganic ChemistryAlbuminPolyphenols0104 chemical sciencesDietchemistryFoodbiology.proteinaffinityMolecules
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Crystal structure and Hirshfeld surface analysis of [N(CH3)4][2,2′-Fe(1,7-closo-C2B9H11)2]

2017

Abstract This work investigates the meta -ferrabis(dicarbollide) anion that was isolated as salt of tetramethylammonium. The structure of the obtained crystal consisted of discrete [2,2′-Fe(1,7- closo -C 2 B 9 H 11 ) 2 ] − anions and disordered [N(CH 3 ) 4 ] + cations. The anion had a considerable chemical stability ensured by ionic and Van der Waals interactions. Thus, Hirshfeld surfaces and fingerprint plot were used to visualize, explore, and quantify intermolecular interactions in the crystal lattice of the title compound. This investigation proved that close contacts were dominated by H⋯H interactions.

structures: crystalsIonic bondingCrystal structure010402 general chemistrychemistry01 natural sciencesBiochemistryIonInorganic ChemistryCrystalchemistry.chemical_compoundsymbols.namesakeComputational chemistrymeta-carboraneMaterials ChemistryPhysical and Theoretical Chemistryta116x-ray crystallographyTetramethylammoniummetallabis(dicarbollide)010405 organic chemistryOrganic ChemistryIntermolecular forcex-ray technology0104 chemical sciencesCrystallographydihydrogen bondschemistrysymbolsChemical stabilityvan der Waals forceHirshfeld studyJournal of Organometallic Chemistry
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Fanonian analysis of racism and postcolonial structures of othering

2023

The paper explores how boundaries affect the search for identity in the context of racism and colonialism. Colonized individuals often experience a sense of alienation and inferiority caused by the limitations imposed by colonial power structures, leading to a quest for personal identity. However, the binary division between the colonizer and colonized affects everyone involved, making searching for personal identity more complex and reinforcing systemic racism. The first section of the article examines how race, a socially constructed concept, plays a crucial role in defining the difference between oneself and others, impo-sing structures of othering based on Fanonian analysis. The second …

strukturālā vardarbībastructural violence:HUMANITIES and RELIGION::History and philosophy subjects::Philosophy subjects::Theoretical philosophy [Research Subject Categories]symbolic boundariesracismrasisms
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