Search results for " interactions"

showing 10 items of 1889 documents

Synthesis and Structure-Affinity Relationships of Spirocyclic Benzopyrans with Exocyclic Amino Moiety

2019

σ1 and/or σ2 receptors play a crucial role in pathological conditions such as pain, neurodegenerative disorders, and cancer. A set of spirocyclic cyclohexanes with diverse O-heterocycles and amino moieties (general structure III) was prepared and pharmacologically evaluated. In structure-activity relationships studies, the σ1 receptor affinity and σ1:σ2 selectivity were correlated with the stereochemistry, the kind and substitution pattern of the O-heterocycle, and the substituents at the exocyclic amino moiety. cis-configured 2-benzopyran cis-11b bearing a methoxy group and a tertiary cyclohexylmethylamino moiety showed the highest σ1 affinity ( Ki = 1.9 nM) of this series of compounds. In…

synthesisexocyclic amino moietyReceptors Opioid mudocking studieCrystallography X-RayLigands01 natural sciencesopioid receptorschemistry.chemical_compoundProtein structureDrug DiscoveryMoiety0303 health sciencesσ1 receptor ligandsstructure (σ1) affinity relationshipmolecular dynamicBenzyl groupMolecular MedicinesynthesiBenzopyransSelectivityHydrophobic and Hydrophilic Interactionsfree binding enthalpyStereochemistrychange of receptor profileMolecular Dynamics Simulation03 medical and health sciencesStructure-Activity Relationshipσ1 receptor ligands; spirocyclic compounds; benzopyrans; benzofurans; exocyclic amino moiety; synthesis; structure (σ1) affinity relationships; σ1 antagonistic activity; receptor selectivity; molecular dynamics; docking studies; free binding enthalpy; X-ray crystal structure; opioid receptors; MOR affinity; change of receptor profile; structure MOR affinity relationshipsstructure (σ1) affinity relationshipsStructure–activity relationshipHumansReceptors sigmaBenzopyransSpiro Compoundsspirocyclic compoundBinding siteMOR affinity030304 developmental biologybenzopyranbenzofuransσ1 receptor ligandBinding Sitesspirocyclic compoundsreceptor selectivitystructure MOR affinity relationshipsdocking studiesbenzofuranopioid receptorX-ray crystal structuremolecular dynamics0104 chemical sciencesProtein Structure Tertiary010404 medicinal & biomolecular chemistrychemistrySalt bridgeσ1 antagonistic activity
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The challenges of GxE research: A rejoinder

2017

ta511genetiikka030505 public healthHealth (social science)ympäristötekijätta1184genetic risk scoresbiomarkersta3142riskitekijätgene-environment interactionsHealth outcomes01 natural sciencesData science010104 statistics & probability03 medical and health sciencesHistory and Philosophy of Sciencemarkkeritidentificationhealth outcomesIdentification (biology)terveyserot0101 mathematics0305 other medical sciencePsychologySocial Science & Medicine
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Sensitivity of bipartite network analyses to incomplete sampling and taxonomic uncertainty

2023

Bipartite network analysis is a powerful tool to study the processes structuring interactions in ecological communities. In applying the method, it is assumed that the sampled interactions provide an accurate representation of the actual community. However, acquiring a representative sample may be difficult as not all species are equally abundant or easily identifiable. Two potential sampling issues can compromise the conclusions of bipartite network analyses: failure to capture the full range of interactions (sampling completeness) and use of a taxonomic level higher than species to evaluate the network (taxonomic resolution). We asked how commonly used descriptors of bipartite antagonisti…

taxonomic resolutionverkkoteoriasystematiikka (biologia)eliöyhteisötsampling completenessisäntälajitbipartite networkssampling issueshost-parasite interactionsbipartite networks; host–parasite interactions; sampling completeness; sampling issues; taxonomic resolutionloisethost–parasite interactionsotantanäytteenottoEcology Evolution Behavior and Systematics
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Quality of educational dialogue and association with students’ academic performance

2018

The study used a mixed-methods approach to examine the associations between the quality of educational dialogue and students' academic performance and to analyse what kinds of dialogic teaching patterns of different levels of quality can be identified in classroom lessons. A total of 158 Grade 6 lessons were video-recorded, and the quality of the educational dialogue was assessed using the Classroom Assessment Scoring System-Secondary (CLASS-S) observational instrument. Multilevel modelling indicated that the quality of educational dialogue was positively associated with students’ academic performance (grades) in language arts and physics/chemistry. Qualitative analysis was subsequently use…

teacher-initiatedmedia_common.quotation_subjectstudent-initiatedEducationdialogiQualitative analysisPedagogyDevelopmental and Educational PsychologyMathematics educationComputingMilieux_COMPUTERSANDEDUCATIONta5160501 psychology and cognitive sciencesQuality (business)Chemistry (relationship)Association (psychology)opettaja-oppilassuhdemedia_commonLanguage artsClass (computer programming)Dialogiceducational dialogue05 social sciencesteacher-student interactionsacademic performance050301 educationObservational studyPsychology0503 education050104 developmental & child psychology
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Weak Interactions between Trivalent Pnictogen Centers: Computational Analysis of Bonding in Dimers X3E···EX3 (E = Pnictogen, X = Halogen)

2009

The nature of weak interactions in dimers X3E···EX3 (E = N−Bi, X = F−I) was investigated by wave function and density functional theory (DFT)-based methods. Out of the 20 systems studied, 10 are found to be bound at the CP-MP2 and LMP2 levels of theory. Detailed partition of the interaction energy into different components revealed that dispersion is the primary force holding the dimers together but there also exists an important ionic component whose contribution increases with increasing halogen size. As expected, standard density functionals fail to describe bonding in the studied systems. However, the performance of DFT methods can be easily improved via empirical dispersion correction …

tetrafosfaaniliganditweak interactionsheikot vuorovaikutuksettetraphosphane ligandsDFT
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New Tetraphosphane Ligands {(X2P)2NC6H4N(PX2)2} (X = Cl, F, OMe, OC6H4OMe-o): Synthesis, Derivatization, Group 10 and 11 Metal Complexes and Catalyti…

2008

The reaction of p-phenylenediamine with excess PCl3 in the presence of pyridine affords p-C6H4[N(PCl2)2]2 (1) in good yield. Fluorination of 1 with SbF3 produces p-C6H4[N(PF2)2]2 (2). The aminotetra(phosphonites) p-C6H4[N{P(OC6H4OMe-o)2}2]2 (3) and p-C6H4[N{P(OMe)2}2]2 (4) have been prepared by reacting 1 with appropriate amount of 2-(methoxy)phenol or methanol, respectively, in the presence of triethylamine. The reactions of 3 and 4 with H2O2, elemental sulfur, or selenium afforded the tetrachalcogenides, p-C6H4[N{P(O)(OC6H4OMe-o)2}2]2 (5), p-C6H4[N{P(S)(OMe)2}2]2 (6), and p-C6H4[N{P(Se)(OMe)2}2]2 (7) in good yield. Reactions of 3 with [M(COD)Cl2] (M = Pd or Pt) (COD = cycloocta-1,5-diene)…

tetrafosfaaniliganditweak interactionsheikot vuorovaikutuksettetraphosphane ligandsDFT
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From endosomes onwards : membranes, lysosomes and viral capsid interactions

2009

Kirsi Pakkanen haki väitöstutkimuksessaan monitieteellisen lähestymistavan avulla uusia näkökulmia virustutkimukseen. Tutkimus tuo uutta tietoa lipidikalvojen merkityksestä viruksen ja viruksen isäntäsolun elämässä. Tutkimuksessa selvisi, että koiran parvovirus, jota tutkimuksessa käytettiin mallina parvoviruksille ja yleisemmin vaipattomille viruksille, tarvitsee tietynlaisia isäntäsolun lipidikalvojen ominaisuuksia voidakseen vapautua solunsisäisten endosomirakkuloiden sisältä. Erityisen tärkeää tässä vapautumisessa näytti olevan kalvojen juoksevuus sekä jäykkien alueiden hallittu järjestäytyminen kolesterolin avulla. Hyödyntämällä molekyylejä, lääkeaineita, jotka muuttavat kolesteroliavu…

triglyseridikolesterolicanine parvoviruscholesterollipiditendosomal membraneskoiran parvovirusvirus-membrane interactionsendocytosisdesipramineendosytoosiendosomikalvottriglyceridesparvovirukset
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Acid–base properties of functionalised tripodal polyamines and their interaction with nucleotides and nucleic acids

2010

Novel, highly positively charged tripodal polyamines with appended heterocyclic moieties revealed an intriguing panel of protonation species within the biologically relevant range. Studied compounds bind nucleotide monophosphates by mostly electrostatic interactions but only the imidazole analogue showed selectivity toward UMP in respect to other nucleotides. Strong binding of all the studied compounds to both ds-DNA and ds-RNA is to some extent selective toward the latter, showing rather rare RNA over DNA preference.

tripodal polyamines; DNA and RNA interactions; RNA selectivity; nucleotidesMagnetic Resonance SpectroscopyStereochemistryProtonation010402 general chemistry01 natural sciencesBiochemistrychemistry.chemical_compoundNucleic AcidsPolyaminesImidazoleNucleotidePhysical and Theoretical Chemistrychemistry.chemical_classificationMolecular StructureNucleotides010405 organic chemistryOrganic ChemistryWaterRNANuclear magnetic resonance spectroscopyHydrogen-Ion Concentration0104 chemical sciencesSolutionsChemistrychemistryNucleic acidThermodynamicsProtonsSelectivityDNAOrganic & Biomolecular Chemistry
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Data from: Parasitic wasp-associated symbiont affects plant-mediated species interactions between herbivores

2018

Microbial mutualistic symbiosis is increasingly recognised as a hidden driving force in the ecology of plant–insect interactions. Although plant‐associated and herbivore‐associated symbionts clearly affect interactions between plants and herbivores, the effects of symbionts associated with higher trophic levels has been largely overlooked. At the third‐trophic level, parasitic wasps are a common group of insects that can inject symbiotic viruses (polydnaviruses) and venom into their herbivorous hosts to support parasitoid offspring development. Here, we show that such third‐trophic level symbionts act in combination with venom to affect plant‐mediated interactions by reducing colonisation o…

tritrophic interactionsfungifood and beveragesPieris brassicaeplant-insect interactionsPE&RCLaboratorium voor EntomologieLife sciencespolydnavirusesmedicine and health careCgBVherbivore colonizationMedicineBrassica oleraceaPlutella xylostellaEPSLaboratory of EntomologyCotesia glomerataparasitoid
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Understanding tungsten erosion during inter/intra-ELM periods in He-dominated JET-ILW plasmas

2021

Tungsten erosion was quantified during inter/intra-ELM periods in He-dominated JET-ILW plasmas by optical emission spectroscopy. The intra-ELM tungsten sputtering in helium plasmas, which dominates the total W source, prevails by a factor of about 4 over inter-ELM sputtering in the investigated ELM frequency range from 90 Hz-120 Hz. He ions are mainly responsible for the W erosion during the ELMs in He plasmas. The strong in/out asymmetry of the ELM-induced W erosion is observed in He plasmas even at high ELM frequencies beyond 100 Hz. In Ohmic/L-mode plasmas and during the H-mode inter-ELM plasma phases both He2+ and Be2+ ionic species are major contributors to the W erosion. Their contrib…

tungsten divertorJet (fluid)Materials scienceJET-ILWchemistry.chemical_elementMechanicsPlasmaTungstenCondensed Matter PhysicsAtomic and Molecular Physics and Opticsoptical emission spectroscopyplasma-material interactionshelium plasmachemistryErosionddc:530tungsten erosionMathematical Physics
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