Search results for "Effects"

showing 10 items of 2634 documents

Kirkwood–Buff Integrals Using Molecular Simulation: Estimation of Surface Effects

2020

Kirkwood&ndash

Surface (mathematics)PhysicsWork (thermodynamics)Finite volume method010304 chemical physicsScale (ratio)nanothermodynamicsGeneral Chemical Engineeringsurface effectsExtrapolationInverse02 engineering and technology021001 nanoscience & nanotechnology01 natural sciencesArticlemolecular dynamicsKirkwood-Buff integralslcsh:Chemistrylcsh:QD1-9990103 physical sciencesThermodynamic limitGeneral Materials ScienceStatistical physics0210 nano-technologyScalingNanomaterials
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Quantifying the limits of transition state theory in enzymatic catalysis

2017

Significance Transition state theory (TST) is the most popular theory to calculate the rates of enzymatic reactions. However, in some cases TST could fail due to the violation of the nonrecrossing hypothesis at the transition state. In the present work we show that even for one of the most controversial enzymatic reactions—the hydride transfer catalyzed by dihydrofolate reductase—the error associated to TST represents only a minor correction to the reaction rate. Moreover, this error is actually larger for the reaction in solution than in the enzymatic active site. Based on this finding and on previous studies we propose an “enzymatic shielding” hypothesis which encompasses various aspects …

Surface (mathematics)enzymatic catalysisDegrees of freedom (statistics)Molecular Dynamics Simulation010402 general chemistry01 natural sciencesEnzyme catalysisReaction coordinateReaction rateTransition state theoryMolecular dynamicsdihydrofolate reductasetransmission coefficientComputational chemistry0103 physical sciencesHumansdynamic effectsStatistical physicsIonsMultidisciplinary010304 chemical physicsChemistryState (functional analysis)Biological Sciencesbacterial infections and mycoses0104 chemical sciencesChemistryBiophysics and Computational BiologyKineticsTetrahydrofolate Dehydrogenasetransition state theoryPhysical SciencesBiocatalysisProceedings of the National Academy of Sciences
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Causes and Effects of Introducing Surgery Safety Checklist: A Review

2021

The medical treatment process, particularly surgery, is inescapably bound to potential complications or undesirable adverse events. This narrative review aims to present the causes and effects of the introduction of the WHO Surgery Safety Checklist (SSC), the use of which is expected to reduce the number of perioperative errors, complications, and mortality. To achieve this objective, we performed a bibliometric analysis of medical citations indexed in the PubMed database using the SSC subject heading. Findings revealed a total of 1441 articles meeting inclusion status, with 1171 published during the last decade. After the screening of titles and abstracts, the members of the research team …

Surgery safety checklistAdverse effectsPerioperative complicationsMortality
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The Press as a Resource for Promoting Sustainability Competencies in Teacher Training: The Case of SDG 7

2022

Given the seriousness of the socio-environmental situation we are facing, this study aims to contribute to the involvement of teachers in education for sustainability through the use of non-formal education, particularly the press. The main objectives of the present study are to analyse the use of the press in science education, as well as the design, implementation and evaluation of tools aimed at teachers and trainee researchers in order to encourage and promote attention to the Sustainable Development Goals (SDGs) and more specifically SDG 7 (clean and affordable energy for all) in science education. The proposals are carried out using a constructivist methodology in sessions structured …

Sustainable Development Goals (SDGs)energy issuesEnvironmental effects of industries and plantsRenewable Energy Sustainability and the EnvironmentGeography Planning and DevelopmentTJ807-830Building and ConstructionManagement Monitoring Policy and LawProfessors FormacióTD194-195Renewable energy sourcesEducation for Sustainability (ESD)Environmental sciencestechnologyDesenvolupament sostenibleSustainable Development Goals (SDGs); Education for Sustainability (ESD); science; technology; society and environment education (STSE); energy issues; non-formal education; teacher trainingGE1-350society and environment education (STSE)scienceSustainability
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Adoption of Green Environmental Practices in Small and Medium-Sized Enterprises: Entrepreneur and Business Policies Patterns in Romania

2021

Current research shows that SMEs’ social and environmental actions are fragmented and informal, and few have formal policies and intentions. At the same time, many SMEs are engaged with environmental policies, often not knowing it. Concurrently, there is a gap between the pro-environmental attitudes of the SMEs managers, who are often seen as the main drivers for the firm’s behavior, and the policies implemented in reality in their firms. To this end, our research’s objective is to explore pro-environmental behavior, both at the individual and firm level, to identify connections between these levels and measures but also with firm’s and managers’ demographics, based on a study of Romanian S…

Sustainable developmentsustainable developmentcorporate social responsibilityEnvironmental effects of industries and plantsDescriptive statisticspro-environmental behaviorRenewable Energy Sustainability and the Environmentgreen entrepreneursGeography Planning and DevelopmentPsychological interventionTJ807-830Context (language use)Management Monitoring Policy and LawTD194-195Investment (macroeconomics)Renewable energy sourcesEnvironmental sciencesCorporate social responsibilityenvironmental practicesGE1-350Organizational structureBusinessSmall and medium-sized enterprisesMarketingsmall and medium enterprisesSustainability
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Analysis of the Impact of the Triple Helix on Sustainable Innovation Targets in Spanish Technology Companies

2020

The establishment of broad-based networks, such as the Triple Helix, for innovation and sustainability is sufficiently corroborated. In this work we suggest that the information received from the Triple Helix has a significant and different impact on the objectives of sustainable innovation, depending on whether companies cooperate or not. To this end, an empirical analysis of a stratified sample of more than 5000 Spanish medium and high technology companies in 2010-2014-2015 was carried out. The results confirm that companies that do not cooperate place more importance on the information received from the Triple Helix to establish their sustainable innovation targets.

Sustainable developmentsustainable developmentgenetic structuresEnvironmental effects of industries and plantsRenewable Energy Sustainability and the EnvironmentSpanish technology companiesGeography Planning and DevelopmentSustainable innovationTJ807-830Management Monitoring Policy and LawEconomiaTD194-195Renewable energy sourcesStratified samplingEnvironmental sciencesWork (electrical)Sustainabilitycollaboration networksGE1-350BusinessTriple HelixIndustrial organizationTriple helixSustainability
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Contribution to the Sustainability Challenges of the Food-Delivery Sector: Finding from the Deliveroo Italy Case Study

2020

The food delivery sector is assuming increasing importance in the distribution of food products and meals as it is becoming an ordinary component of consumption habits. However, the growth of the sector has inevitably affected the demand for freight transport, especially in urban areas. The aim of this study was to investigate the main enabling factors affecting the adoption of sustainable strategies, among which the electro-mobility, in the food delivery sector and what obstacles to dissemination can be seen. Deliveroo s.r.l. was chosen as case study. Results show that Deliveroo undoubtedly represents a good example of sustainable logistics and the dissemination of good practices among the…

Sustainable logisticsGeography Planning and Developmente-grocery shoppinglcsh:TJ807-830Enabling Factorslcsh:Renewable energy sourcesDistribution (economics)Management Monitoring Policy and Law0502 economics and businessSettore AGR/01 - Economia Ed Estimo Ruralelcsh:Environmental sciencesConsumption (economics)lcsh:GE1-350Public economicsRenewable Energy Sustainability and the Environmentbusiness.industrylcsh:Environmental effects of industries and plants05 social scienceselectro-mobilityFood deliverysustainabilitylcsh:TD194-195Food productsSustainability050211 marketingbusiness050203 business & managementSustainability
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Synthesis, structural studies and reactivity of vanadium complexes with tridentate (OSO) ligand

2007

The direct reaction between [VCl3(thf)3] or [VO(OEt)3] and 2,2′-thiobis{4-(1,1,3,3-tetramethyl-butyl)phenol (tbopH2) leads to the formation of [V2(µ-tbop-κ3O,S,O)2Cl2(CH3CN)2] (1)·4CH3CN or [V2(µ-OEt)2(O)2(tbop-κ3O,S,O)2] (2), respectively, in high yield. Compounds 1 and 2 were characterized by chemical and physical techniques including X-ray crystallography and variable temperature magnetic susceptibility studies (J = −29.1 cm−1) for 1. Complexes 1 and 2 were supported on MgCl2 and when activated with aluminium alkyls, were found to effectively polymerize ethene to produce polyethylene with a narrow molecular weight distribution Mw/Mn ∼ 3.

Synthesis (chemical)ComplexationX ray crystallographyPolyethylenesPolymerizationThermal effectsDalton Transactions
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Reversible effect of MR and ELF magnetic fields (0.5 T and 0.5 mT) on human lymphocyte activation patterns.

2006

Purpose: The aim of this study was to investigate the effects of magnetic fields (MF) of different intensity generated by a magnetic resonance (MR) unit (0.5 Tesla) and a double cylindrical coil (0.5 mTesla) on human CD4+ T cell lines. Materials and methods: CD4+ T cells were exposed for two hours under isothermal conditions (37 ± 0.5°C) to the above mentioned MF; a control group was provided for each exposed sample. After exposure, the samples were analysed in the laboratory for the following endpoints: Release of cytokines, expression of surface markers, cell proliferation and levels of cytosolic free-calcium. Results: Exposure to MF for 2 h and subsequent in vitro stimulation in the pres…

T cellBiologyLymphocyte ActivationRadiation DosageCell LineNuclear magnetic resonanceElectricitymedicineHumansRadiology Nuclear Medicine and imagingIL-2 receptorLymphocytesMR Biological effectsCell ProliferationRadiological and Ultrasound Technologymedicine.diagnostic_testCell growthMagnetic resonance imagingDose-Response Relationship RadiationMolecular biologyAdaptation PhysiologicalMagnetic Resonance ImagingIn vitroMagnetic fieldCytosolmedicine.anatomical_structureMitogen-activated protein kinasebiology.proteinCytokines
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Improving neglect by TMS.

2006

Hemispatial neglect refers to the defective ability of patients to explore or act upon the side of space contralateral to the lesion and to attend to stimuli presented in that portion of space. Evidence from animal models suggests that many of the behavioural sequelae associated with visual neglect may result not solely from the size of the lesion, but also from a pathological state of increased inhibition exerted on the damaged hemisphere by the contralesional hemisphere. On the basis of these potential mechanisms underlying neglect, in this review we discuss therapeutic approaches, focusing particularly on recent research using transcranial magnetic stimulation (TMS). This technique, besi…

TRANSCRANIAL MAGNETIC STIMULATIONmedia_common.quotation_subjectmedicine.medical_treatmentTreatment outcomeNeurosciences. Biological psychiatry. NeuropsychiatryFunctional LateralityNeglectDevelopmental psychologyLesionPerceptual DisordersmedicineAnimalsHumansAttentionPOSTERIOR PARIETAL CORTEXBeneficial effectsmedia_commonVisual neglectBrainHemispatial neglectNeural InhibitionGeneral MedicineMagnetic Resonance ImagingClinical PracticeTranscranial magnetic stimulationNeuropsychology and Physiological PsychologyTreatment OutcomeNeurologySpace PerceptionVisual PerceptionNeurology (clinical)medicine.symptomPsychologyNeuroscienceRC321-571Research Article
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