Search results for "40"

showing 10 items of 17345 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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Water-Soluble Cuprizone Derivative: Synthesis, Characterization, and in Vitro Studies

2019

The cuprizone mouse model is one of the most accepted model systems for the investigation of oligodendrocyte degeneration, a process critically involved in the pathogenesis of diseases such as multiple sclerosis or schizophrenia. In order to substitute the in vivo experiments by in vitro approaches, the amine derivative BiMPi is introduced as a water-soluble alternative to cuprizone. Regarding superoxide dismutase activity, toxicity for oligodendrocytes, and disturbance of mitochondrial membrane potential, BiMPi shows similar in vitro effects as is observed in vivo for cuprizone. peerReviewed

synthesispatogeneesiGeneral Chemical EngineeringDegeneration (medical)010402 general chemistry01 natural sciencesneurokemialcsh:ChemistryPathogenesis03 medical and health scienceschemistry.chemical_compound0302 clinical medicinemedicinecharacterizationsynteesita116water-soluble cuprizone derivativekemiallinen synteesiin Vitro studiesamiinitChemistryta1182General ChemistryOligodendrocyteIn vitro3. Good health0104 chemical sciencesmedicine.anatomical_structureWater solublelcsh:QD1-999Biochemistryin vitro -menetelmä030217 neurology & neurosurgeryDerivative (chemistry)
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Gouvernement d'entreprise et comptabilité

1999

L'objectif de cet article est d'une part, de mettre en évidence les limites de l'approche actionnariale du gouvernement des entreprises pour appréhender le rôle de la comptabilité, d'autre part, de montrer l'intérêt d'une approche partenariale comme réponse aux limites de l'approche actionnariale.

système comptable;gouvernement de l'entreprise; approche actionnariale;approche partenarialejel:G30[SHS.GESTION]Humanities and Social Sciences/Business administration[ SHS.GESTION ] Humanities and Social Sciences/Business administration[SHS.GESTION] Humanities and Social Sciences/Business administrationjel:M40
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Absolute quantification of noncoding RNA by microscale thermophoresis

2019

Abstract Accurate quantification of the copy numbers of noncoding RNA has recently emerged as an urgent problem, with impact on fields such as RNA modification research, tissue differentiation, and others. Herein, we present a hybridization‐based approach that uses microscale thermophoresis (MST) as a very fast and highly precise readout to quantify, for example, single tRNA species with a turnaround time of about one hour. We developed MST to quantify the effect of tRNA toxins and of heat stress and RNA modification on single tRNA species. A comparative analysis also revealed significant differences to RNA‐Seq‐based quantification approaches, strongly suggesting a bias due to tRNA modifica…

tRNA stabilityRNA UntranslatedAbsolute quantificationRNA Quantification | Hot PaperComputational biology010402 general chemistry01 natural sciencesCatalysis[SDV.BBM.GTP]Life Sciences [q-bio]/Biochemistry Molecular Biology/Genomics [q-bio.GN]RNA modification540 ChemistryhybridizationComputingMilieux_MISCELLANEOUS010405 organic chemistryChemistryMicroscale thermophoresisCommunicationRNA[SDV.BBM.BM]Life Sciences [q-bio]/Biochemistry Molecular Biology/Molecular biologyGeneral ChemistryRibosomal RNANon-coding RNAmicroscale thermophoresisCommunications0104 chemical sciencesTissue DifferentiationTransfer RNA570 Life sciences; biologyfluorescenceRNA quantification
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A new approach for estimating a nonlinear growth component in multilevel modeling

2011

This study presents a new approach to estimation of a nonlinear growth curve component with fixed and random effects in multilevel modeling. This approach can be used to estimate change in longitudinal data, such as day-of-the-week fluctuation. The motivation of the new approach is to avoid spurious estimates in a random coefficient regression model due to the synchronized periodical effect (e.g., day-of-the-week fluctuation) appearing both in independent and dependent variables. First, the new approach is introduced. Second, a Monte Carlo simulation study is carried out to examine the functioning of the proposed new approach in the case of small sample sizes. Third, the use of the approac…

ta112Social PsychologyComputation05 social sciencesMonte Carlo methodMultilevel model050401 social sciences methods050301 educationRegression analysisRandom effects modelGrowth curve (statistics)EducationNonlinear system0504 sociologyDevelopmental NeuroscienceComponent (UML)Developmental and Educational PsychologyEconometricsApplied mathematicsLife-span and Life-course StudiesPsychology0503 educationta515Social Sciences (miscellaneous)International Journal of Behavioral Development
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Simultaneous optimization of harvest schedule and measurement strategy

2013

In many recent studies, the value of forest inventory information in the harvest scheduling has been examined. Usually only the profitability of measuring simultaneously all the stands in the area is examined. Yet, it may be more profitable to concentrate the measurement efforts to some subset of them. In this paper, the authors demonstrate that stochastic optimization can be used for defining the optimal measurement strategy simultaneously with the harvest decisions. The results show that without end-inventory constraints, it was most profitable to measure the stands that were just below the medium age. Measuring the oldest stands was not profitable at all. It turned out to be profitable t…

ta113040101 forestryForest inventory010504 meteorology & atmospheric sciencesOperations researchpäätöksentekota111Scheduling (production processes)ForestryTime horizon04 agricultural and veterinary sciencesstochastic optimization15. Life on landta411201 natural sciencesInformation economicsinformation economics0401 agriculture forestry and fisheriesProfitability indexStochastic optimizationforest inventorySimultaneous optimizationconstraints0105 earth and related environmental sciencesMathematicsScandinavian Journal of Forest Research
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Learnings from the Finnish Game Industry

2016

The motivation behind our research was the rapid growth and business wins of world-class Finnish game companies, like Supercell, as well as the success of other game companies in Finland. In particular, Supercell's growth is something that has not been heard of before and this raised the interest to research what game companies have been doing right. Supercell is not the only Finnish success. Rovio is also well known and has the roots for success from few years before. There are also other game companies in Finland that have succeeded and this motivated us to investigate what is happening behind the game industry and what could be learned from there that could be applied to other software i…

ta113Engineeringgame industry040301 veterinary sciencesbusiness.industryStar (game theory)0402 animal and dairy scienceContext (language use)Advertising04 agricultural and veterinary sciencesPublic relations040201 dairy & animal scienceMountain sheepNewspaper0403 veterinary scienceEntertainmentcvg.developerOrder (exchange)NarrativecvgGame DeveloperbusinessFinland
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Omission of Causal Indicators: Consequences and Implications for Measurement – A Rejoinder

2016

ta113Statistics and ProbabilityApplied Mathematics05 social sciences050401 social sciences methodsResearch needsEducation0504 sociology0502 economics and businesscausal indicatorsmeasurementPositive economicsPsychologySocial psychology050203 business & managementCausal modelMeasurement: Interdisciplinary Research and Perspectives
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Jahn–Teller effects in Au25(SR)18

2016

The relationship between oxidation state, structure, and magnetism in many molecules is well described by first-order Jahn–Teller distortions. This relationship is not yet well defined for ligated nanoclusters and nanoparticles, especially the nano-technologically relevant gold-thiolate protected metal clusters. Here we interrogate the relationships between structure, magnetism, and oxidation state for the three stable oxidation states, −1, 0 and +1 of the thiolate protected nanocluster Au25(SR)18. We present the single crystal X-ray structures of the previously undetermined charge state Au25(SR)18+1, as well as a higher quality single crystal structure of the neutral compound Au25(SR)180. …

ta114ChemistryMagnetismJahn–Teller effectNanoparticleJahn–Teller distortions02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnology01 natural sciences0104 chemical sciencesNanoclusterslaw.inventionSQUIDCrystallographyOxidation statelawMolecule0210 nano-technologySingle crystalta116gold nanoclustersChemical Science
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A Unified AMBER-Compatible Molecular Mechanics Force Field for Thiolate-Protected Gold Nanoclusters.

2016

We present transferable AMBER-compatible force field parameters for thiolate-protected gold nanoclusters. Five different sized clusters containing both organo-soluble and water-soluble thiolate ligands served as test systems in MD simulations, and parameters were validated against DFT and experimental results. The cluster geometries remain intact during the MD simulations in various solvents, and structural fluctuations and energetics showed agreement with DFT calculations. Experimental diffusion coefficients and crystal structures were also reproduced with sufficient accuracy. The presented parameter set contains the minimum number of cluster-specific parameters enabling the use of these p…

ta114Chemistrythiolate ligands02 engineering and technologyCrystal structure010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesMolecular mechanicsForce field (chemistry)0104 chemical sciencesComputer Science ApplicationsNanoclustersComputational chemistryChemical physicsCluster (physics)Physical and Theoretical Chemistry0210 nano-technologyta116gold nanoclustersJournal of chemical theory and computation
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