Search results for "Density"

showing 10 items of 4402 documents

Kompleksy metali przejściowych z zasadami Lewisa jako prekursory katalizatorów polimeryzacji olefin. Cz. II. Postęp w komputerowym projektowaniu kata…

2001

Dokonano przeglądu prac dotyczących komputerowego projektowania katalizatorów do polimeryzacji olefin z punktu widzenia wpływu katalizatorów na przebieg tego procesu. Omówiono osiągnięcia w teoretycznym przewidywaniu katalitycznych właściwości kompleksów metali przejściowych, które dokonały się dzięki zrozumieniu mechanizmu polimeryzacji, charakteru centrów aktywnych, przyczyn aktywności takich katalizatorów oraz roli poszczególnych ich składników. Przedstawiono również zagadnienia, na których prawdopodobnie skupią się obecne i przyszłe prace teoretyczne w dziedzinie polimeryzacji koordynacyjnej (rola kokatalizatorów i zasad Lewisa dodawanych do układów katalitycznych, wpływ warunków doświa…

komputerowe modelowanie molekularnemolecular modelingmetalocenyteoria funkcjonału gęstościowegopolimeryzacja etylenu i propylenuZiegler-Natta catalystsmetalloceneskatalizatory Zieglera-Nattydensity functional theorypolymerization of ethylene and propylenePolimery
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Direct detection of 17O NMR in [Gd(DOTA)]- by NMR Spectroscopy

2015

The 17O NMR spectrum of the non-coordinated carboxyl oxygen in the GdIII-DOTA (DOTA = tetraazacyclododecanetetraacetic acid) complex has been observed experimentally. Its line width is essentially unaffected by paramagnetic relaxation due to gadolinium, and is only affected by the quadrupole pathway. The results are supported by the relevant parameters (hyperfine and quadrupole coupling constants) calculated by relativistic DFT methods. This finding opens up new avenues for investigating the structure and reactivity of paramagnetic GdIII complexes used as contrast agents in magnetic resonance imaging.

lanthanide complexesLanthanideGadoliniumchemistry.chemical_elementImaging agentsCatalysisNMR spectroscopy; Density functional calculations; lanthanide complexes; gadolinium; O-17 nmrParamagnetismchemistry.chemical_compoundNMR spectroscopyNuclear magnetic resonanceLanthanidesDOTAHyperfine structureChemistryOrganic ChemistryRelaxation (NMR)General ChemistryNuclear magnetic resonance spectroscopyDensity functional calculationsSettore CHIM/03 - Chimica Generale E InorganicaQuadrupole17O NMR Lanthanides DFTCondensed Matter::Strongly Correlated ElectronsgadoliniumO-17 nmr
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COMPUTER AIDED RESTORATION TOOLS TO ASSIST THE CONSERVATION OF AN ANCIENT SCULPTURE. THE COLOSSAL STATUE OF ZEUS ENTHRONED

2017

Abstract. The research focuses on the contribution of the integrated application of Computer Aided Restoration digital procedures as a means to guide the integration measure of an artifact, innovating and implementing the traditional investigation methods. The aim of the study was to provide effective geometrical-formal investigation tools in the frame of the conservation work of Zeus enthroned from Soluntum, conserved in the Archaeological Museum “A. Salinas” of Palermo. The paper describes the workflow of the 3D acquisition and graphical modeling with non-invasive digitalization and high information density techniques to assist the conservation of the legs of the throne, especially the in…

lcsh:Applied optics. PhotonicsEngineeringEngineering drawing02 engineering and technologyCultural Heritage restauration conservation 3D modeling virtual recomposition 3D printing.01 natural scienceslcsh:Technology0202 electrical engineering electronic engineering information engineeringSettore L-ART/04 - Museologia E Critica Artistica E Del RestauroSculpturebusiness.industrylcsh:T010401 analytical chemistrylcsh:TA1501-18203D modelingInformation density0104 chemical sciencesCultural heritageWorkflowInvestigation methodslcsh:TA1-2040Computer-aided020201 artificial intelligence & image processingStatueSettore ICAR/17 - Disegnobusinesslcsh:Engineering (General). Civil engineering (General)
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Single chamber microbial fuel cell with Ni-Co cathode

2017

The possibility of wastewater treatment and the parallel energy production using the Ni-Co alloy as cathode catalyst for single chamber microbial fuel cells is presented in this research. The research included a preparation of catalyst and comparison of COD, NH4 + and NO3 - reduction in the reactor without aeration, with aeration and with using a single chamber microbial fuel cell with Ni-Co cathode. The reduction time for COD with the use of microbial fuel cell with the Ni-Co catalyst is similar to the reduction time with aeration. The current density (2.4 A·m-2 ) and amount of energy (0.48 Wh) obtained in MFC is low, but the obtained amount of energy allows elimination of the energy neede…

lcsh:GE1-350inorganic chemicalsMicrobial fuel cellWaste managementChemistryAlloy02 engineering and technology010501 environmental sciencesengineering.material021001 nanoscience & nanotechnology01 natural sciencesCathodeCatalysislaw.inventionChemical engineeringlawengineeringSewage treatmentAeration0210 nano-technologyCurrent densitylcsh:Environmental sciences0105 earth and related environmental sciencesSingle chamberE3S Web of Conferences
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Mycobacterium tuberculosis Drives Expansion of Low-Density Neutrophils Equipped With Regulatory Activities

2019

In human tuberculosis (TB) neutrophils represent the most commonly infected phagocyte but their role in protection and pathology is highly contradictory. Moreover, a subset of low-density neutrophils (LDNs) has been identified in TB, but their functions remain unclear. Here, we have analyzed total neutrophils and their low-density and normal-density (NDNs) subsets in patients with active TB disease, in terms of frequency, phenotype, functional features, and gene expression signature. Full-blood counts from Healthy Donors (H.D.), Latent TB infected, active TB, and cured TB patients were performed. Frequency, phenotype, burst activity, and suppressor T cell activity of the two different subse…

lcsh:Immunologic diseases. Allergy0301 basic medicineTuberculosisPhagocyteLymphocytePhagocytosisT cellImmunologytranscriptomic analysiPeripheral blood mononuclear cellMycobacterium tuberculosis03 medical and health sciences0302 clinical medicineneutrophilsmedicineImmunology and Allergylow density neutrophiltranscriptomic analysisOriginal Researchbiologylow density neutrophilsphagocytosisneutrophilphagocytosibiology.organism_classificationmedicine.disease3. Good healthRespiratory burst030104 developmental biologymedicine.anatomical_structuretuberculosisImmunologylcsh:RC581-607030215 immunology
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Perinatal Western Diet Consumption Leads to Profound Plasticity and GABAergic Phenotype Changes within Hypothalamus and Reward Pathway from Birth to …

2017

This article is part of the Research Topic Early Life Origins of Obesity and Type 2 Diabetes.; International audience; Perinatal maternal consumption of energy dense food increases the risk of obesity in children. This is associated with an overconsumption of palatable food that is consumed for its hedonic property. The underlying mechanism that links perinatal maternal diet and offspring preference for fat is still poorly understood. In this study, we aim at studying the influence of maternal high-fat/high-sugar diet feeding [western diet (WD)] during gestation and lactation on the reward pathways controlling feeding in the rat offspring from birth to sexual maturity. We performed a longit…

lcsh:RC648-665circuit architecture[ SDV ] Life Sciences [q-bio][SDV]Life Sciences [q-bio]DOHaDgamma-aminobutyric acidtyrosine-hydroxylasefood-intakeinduced obesitylcsh:Diseases of the endocrine glands. Clinical endocrinologyEndocrinologynutritionhigh-fat dietgaba neuronshydroxylase messenger-rnabody-weightTaqMan low-density arrayjunk-fooddopaminerewardOriginal Researchγ-aminobutyric acidfood preferences
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Prompt and delayed spectroscopy of 203At : Observation of a shears band and a 29/2+ isomeric state

2018

Using fusion-evaporation reactions, a gas-filled recoil separator, recoil-gating technique and recoil-isomer decay tagging technique we have extended the level scheme of 203 At ( N = 118 ) significantly. We have observed an isomeric [ τ = 14.1 ( 3 ) μ s ] state with a spin and parity of 29 / 2 + . The isomeric state is suggested to originate from the π ( h 9 / 2 ) ⊗ ∣ ∣ 202 Po ; 11 − ⟩ coupling, and it is depopulated through 286 keV E 2 and 366 keV E 3 transitions. In addition, we have observed a cascade of magnetic-dipole transitions which is suggested to be generated by the shears mechanism. peerReviewed

level densitiesnuclear spinelectromagnetic transitionsnuclear density functional theorytiheysfunktionaaliteoriaspektroskopialifetimeswidthsenergy levelsNuclear Experimentisomer decaysydinfysiikkanuclear parity
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Interactive effects of past and present environments on overwintering success - A reciprocal transplant experiment

2012

Life-history traits are influenced by environmental factors throughout the lifespan of an individual. The relative importance of past versus present environment on individual fitness, therefore, is a relevant question in populations that face the challenge of temporally varying environment. We studied the interacting effects of past and present density on body mass, condition, and survival in enclosure populations of the bank vole (Myodes glareolus) using a reciprocal transplant design. In connection with the cyclic dynamics of natural vole populations, our hypothesis was that individuals born in low-density enclosures would do better overwintering in low-density enclosures than in high-den…

life historyelinkiertoreciprocal transplant experimentvastavuoroinen siirtokoeviivästynyt tiheydestä riippuvuusMyodes glareoluspopulation dynamicsdelayed density dependencepopulaatiodynamiikka
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Interactive effects of past and present environments on overwintering success-a reciprocal transplant experiment.

2011

Life-history traits are influenced by environmental factors throughout the lifespan of an individual. The relative importance of past versus present environment on individual fitness, therefore, is a relevant question in populations that face the challenge of temporally varying environment. We studied the interacting effects of past and present density on body mass, condition, and survival in enclosure populations of the bank vole (Myodes glareolus) using a reciprocal transplant design. In connection with the cyclic dynamics of natural vole populations, our hypothesis was that individuals born in low-density enclosures would do better overwintering in low-density enclosures than in high-den…

life historyreciprocal transplant experimentDelayed density dependenceMyodes glareoluspopulation dynamicsOriginal ResearchEcology and evolution
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Computational Criteria for Hydrogen Evolution Activity on Ligand-Protected Au25-Based Nanoclusters

2023

The hydrogen evolution reaction (HER) is a critical reaction in addressing climate change; however, it requires catalysts to be generated on an industrial scale. Nanomaterials offer several advantages over conventional HER catalysts, including the possibility of atomic precision in tailoring the intrinsic activity. Ligand-protected metal clusters, such as the thiolate-protected MAu24(SR)18 (where M is Au, Cu, Pd), are of particular interest as not only are they electrocatalytically active toward HER, but the charge state and composition can be precisely tuned. Here, we present a comprehensive computational study examining how the charge state and dopants affect the catalytic activity of [MA…

ligand protected clusterelektrokatalyysinanorakenteetgold nanoclustertiheysfunktionaaliteoriaelectrocatalysisHERdopingdensity functional theoryredox potential
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