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showing 10 items of 25852 documents

Tunable Interaction Strength and Nature of the S···Br Halogen Bonds in [(Thione)Br2] Systems

2015

The strength and nature of the S···Br and Br···Br interactions were systematically tuned by altering the electron donor properties of the thione group. Three new halogen-bonded compounds, [(N-methylbenzothiazole-2-thione)Br2]·0.5CH2Cl2 (1), [(2(3H)-benzothiazolethione)Br2] (2), and [(2-benzimidazolethione)Br]·[Br3] (3), were synthesized and studied structurally by using X-ray crystallography and computationally by using charge density analysis based on QTAIM calculations. Analysis of the interaction strength indicated a formation of surprisingly strong S···Br halogen bonds in 1 (−104 kJ mol–1, and RBrS = 0.64) and 2 (−116 kJ mol–1, and RBrS = 0.63) with a substantial covalent contribution. …

thionessynthesis010405 organic chemistryChemistryLigandStereochemistryCharge densityElectron donorGeneral ChemistryInteraction energy010402 general chemistryCondensed Matter Physics01 natural sciencesHeterolysis0104 chemical sciences3. Good healthCrystallographychemistry.chemical_compoundhalogen bondingCovalent bondHalogenMoleculeGeneral Materials Scienceta116bromideCrystal Growth & Design
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Synthesis, antiproliferative activity, and in silico insights of new 3-benzoylamino-benzo[ b ]thiophene derivatives

2014

A new series of 3-benzoylamino-5-imidazol-5-yl-benzo[b]thiophenes and the parent amino derivatives were synthesized and screened as antitumor agents. All tested compounds showed concentration-dependent antiproliferative activity profile against HeLa cell line, exhibiting GI50 values in the low micromolar range. The most active compounds were tested in cell cycle perturbation experiments. A rapid accumulation of cells in the G2/M phase, with a concomitant reduction of cells in both the S and G0/G1 phases, was observed, suggesting that cell exposure to selected derivatives produces mitotic failure. To rationalize the biological results, the 3-benzoylamino-benzo[b]thiophenes were analyzed thro…

thiopheneVLAK protocolStereochemistryIn silicoCellAntineoplastic AgentsMechanism of actionHeLa CellHeLaAntineoplastic AgentStructure-Activity Relationship3-Benzoylamino-5-imidazol-4-yl-benzo[b]Settore BIO/10 - BiochimicaDrug DiscoverymedicineHumansMoietyComputer SimulationMitosisCell ProliferationPharmacologyAntitumor agentsbiologyDose-Response Relationship DrugMolecular StructureChemistryDrug Discovery3003 Pharmaceutical ScienceMedicine (all)Cell CycleOrganic ChemistryAntitumor agentG2/M phaseGeneral MedicineSettore CHIM/06 - Chimica OrganicaHeLa cell linebiology.organism_classificationSettore CHIM/08 - Chimica Farmaceuticamedicine.anatomical_structureCell cultureSettore CHIM/03 - Chimica Generale E InorganicathiophenesAntimitotic AgentTopoisomerase-II InhibitorDrug Screening Assays AntitumorHeLa CellsHuman
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Can adjunctive corticosteroid therapy improve patient-centered outcomes following third molar surgery? A systematic review

2021

Third molar surgery is frequently associated with postoperative discomfort such as pain, edema and trismus. We aimed to evaluate the current evidence on the efficacy of adjunctive corticosteroid therapy in improving patient-centered outcomes following third molar surgery.This systematic review assessed and searched PubMed, Google scholar, Scopus, web of science, clinicaltrials.gov and Cochrane central for controlled trials, up to May 2021. The primary outcome measures were patient-centered outcomes such as quality of life following the use of adjunctive corticosteroid therapy in third molar removal. Only randomized controlled trials published in English language were included.A total of 355…

third molars corticosteroids patient-reported outcomes health related quality of lifePain PostoperativeTooth ImpactedPainDexamethasoneOtorhinolaryngologyAdrenal Cortex HormonesPatient-Centered CareOutcome Assessment Health CareTooth ExtractionQuality of LifeEdemaHumansMolar ThirdTrismusSurgeryGeneral DentistryUNESCO:CIENCIAS MÉDICASMedicina Oral Patología Oral y Cirugia Bucal
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Investigation of Nonlinear Optical Processes in Mercury Sulfide Quantum Dots

2022

European Regional Development Fund (1.1.1.5/19/A/003), State Assignment to Higher Educational Institutions of Russian Federation (FZGU-2020-0035), Russian Foundation for Basic Research (18-29-20062). Institute of Solid State Physics, University of Latvia as the Center of Excellence acknowledges funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART2.

third-harmonic generationGeneral Chemical Engineeringnonlinear refractionPhysics::OpticsGeneral Materials Science:NATURAL SCIENCES::Physics [Research Subject Categories]quantum dotsnonlinear absorptionCondensed Matter::Mesoscopic Systems and Quantum Hall Effectquantum dots; mercury sulfide; third-harmonic generation; nonlinear refraction; nonlinear absorptionmercury sulfideNanomaterials; Volume 12; Issue 8; Pages: 1264
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QCD NLO with Powheg matching and top threshold matching in WHIZARD

2016

We present the status of the automation of NLO processes within the event generator WHIZARD. The program provides an automated FKS subtraction and phase space integration over the FKS regions, while the (QCD) NLO matrix element is accessed via the Binoth Les Houches Interface from an externally linked one-loop program. Massless and massive test cases and validation are shown for several e+e- processes. Furthermore, we discuss work in progress and future plans. The second part covers the matching of the NRQCD prediction with NLL threshold resummation to the NLO continuum top pair production at lepton colliders. Both the S-wave and P-wave production of the top pair are taken into account in t…

threshold [top]electronParticle physicsleptonFOS: Physical sciencespair production [top]relativistic [correction]phase spaceHigh Energy Physics - Phenomenology (hep-ph)quantum chromodynamicsResummationMonte Carlototal cross sectionEvent generatorQuantum chromodynamicsPhysicselectroweak interactionHigh Energy Physics::PhenomenologyElectroweak interactionObservableMassless particleHigh Energy Physics - PhenomenologyPair productionproduction [top]interfaceHigh Energy Physics::Experimentthreshold [resummation]LeptonProceedings of 12th International Symposium on Radiative Corrections (Radcor 2015) and LoopFest XIV (Radiative Corrections for the LHC and Future Colliders) — PoS(RADCOR2015)
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ACTO II / ACT II Mujeres / Women ¿Es gay la música de Chopin? Aspectos de la recepción de la música de Chopin en el siglo XIX

2021

Considering that it is difficult, if not impossible, for an analysis of Chopin?s music to unmask some aspects of his private life (such as an alleged sexual and affective attraction for individuals of his own sex), we can however argue that, throughout the 19th century, a connection was established between his work and a ?feminine universe.? That connection might have had implications in the way in which the feminized image of its author was constructed. The analysis of certain aesthetic and stylistic traits of Chopin?s music can help understand the causes of that perception.

throughout the 19th centuryUNESCO::CIENCIAS DE LAS ARTES Y LAS LETRASrevista de investigación musical: territorios para el arte 590908 2021 7 8182078 ACTO II / ACT II Mujeres / Women ¿Es gay la música de Chopin? Aspectos de la recepción de la música de Chopin en el siglo XIX Alboterritorios para el arte 590908 2021 7 8182078 ACTO II / ACT II Mujeres / Women ¿Es gay la música de Chopin? Aspectos de la recepción de la música de Chopin en el siglo XIX Albo [revista de investigación musical]:CIENCIAS DE LAS ARTES Y LAS LETRAS [UNESCO]Francisco Javier Considering that it is difficultif not impossiblea connection was established between his work and a ?feminine universe.? That connection might have had implications in the way in which the feminized image of its author was constructed. The analysis of certain aesthetic and stylistic traits of Chopin?s music can help understand the causes of that perception. 489 5062386-8260 13268 Itamarfor an analysis of Chopin?s music to unmask some aspects of his private life (such as an alleged sexual and affective attraction for individuals of his own sex)we can however argue that
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External Assessors as “Reviewers” for Quality Assurance of Open Access Journals

2017

tiedelehdetopen accessexternal assessorsSocial Psychologyscholary researchbusiness.industryCommunicationscientific journalsjournalslaatu030230 surgeryHuman-Computer InteractionWorld Wide Web03 medical and health sciences0302 clinical medicinereviewersqualityopen access journals030212 general & internal medicinevertaisarviointita518businessQuality assurancetieteellinen julkaisutoiminta
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Knowing matters : how students address lack of knowledge in bilingual classroom interaction

2014

tietointegroitu opetusconversation analysisvuorovaikutusoppiminenoppitunnitContent and language integrated learning (CLIL)keskustelunanalyysisoveltava kielitiedetietoteoriamerkityksetluokkatyöskentelyopetussosiaalinen vuorovaikutusoppilaatkielentutkimuskouluikäisetvieraskielinen opetusCA-SLAepistemicsclassroom interactionyläkoulukielen oppiminen
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In Pursuit of Measuring Pre-reflective Music Listening Experiences

2022

While the diverse effects and uses of music and sound have been extensively documented within music psychology, relatively little attention has been paid to the process and experience of listening itself. Previous literature have, however, considered different ways of attending to sounds via the concept of listening modes, which highlights the different ways and strategies through which listeners intentionally orientate themselves to the activity of listening and creating the experiential meaning of the sound. In this paper, we continue on these lines by focusing on the very basic attentional dispositions for listening that often remain unconscious. As op posed to more deliberate and intent…

tietoisuushuman computer interaction (HCI)musiikkimusiikkipsykologiapre-reflective experiencesound and music computingkuunteleminenembodied cognitionmodes of listeningkokemuksetmusicääni (fysikaaliset ilmiöt)merkitys (tärkeys)tarkkaavaisuuslisteningimagination
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Shell evolution above Z,N=50 within Skyrme density functional theory: The impact of deformation and tensor interactions

2017

Background: Recent years have seen considerable effort in associating the shell evolution (SE) for a chain of isotones or isotopes with the underlying nuclear interactions. In particular, it has been fairly well established that the tensor part of the Skyrme interaction is indispensable for understanding certain SE above Z,N = 50 shell closures, as a function of nucleon numbers. Purpose: The purpose of the present work is twofold: (1) to study the effect of deformation due to blocking on the SE above Z,N = 50 shell closures and (2) to examine the optimal parametrizations in the tensor part which gives a proper description of the SE above Z,N = 50 shell closures. Methods: I use the Skyrme-Ha…

tiheysfunktionaaliteoriashell evolutionSkyrme interaction
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