Search results for "gon"

showing 10 items of 6445 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 Role of Small-Angle X-Ray Scattering and Molecular Simulations in 3D Structure Elucidation of a DNA Aptamer Against Lung Cancer

2021

Aptamers are short, single-stranded DNA or RNA oligonucleotide molecules that function as synthetic analogs of antibodies and bind to a target molecule with high specificity. Aptamer affinity entirely depends on its tertiary structure and charge distribution. Therefore, length and structure optimization are essential for increasing aptamer specificity and affinity. Here we present a general optimization procedure for finding most populated atomistic structures of DNA aptamers. Based on the existed aptamer LC-18 for lung adenocarcinoma, a new truncated aptamer LC-18t was developed. A three-dimensional shape of LC-18t was reported based on small-angle X-ray scattering (SAXS) experiments and m…

syöpäsolutoligonukleotiditimmuunivastenukleotiditvasta-aineetmolekyylidynamiikkasimulointi
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Model selection using limiting distributions of second-order blind source separation algorithms

2015

Signals, recorded over time, are often observed as mixtures of multiple source signals. To extract relevant information from such measurements one needs to determine the mixing coefficients. In case of weakly stationary time series with uncorrelated source signals, this separation can be achieved by jointly diagonalizing sample autocovariances at different lags, and several algorithms address this task. Often the mixing estimates contain close-to-zero entries and one wants to decide whether the corresponding source signals have a relevant impact on the observations or not. To address this question of model selection we consider the recently published second-order blind identification proced…

ta112Series (mathematics)Estimation theoryModel selectionasymptotic normalitypattern identificationAsymptotic distributionInformation Criteriaoint diagonalization SOBI AsympBlind signal separationMatrix (mathematics)Control and Systems EngineeringSOBISignal Processingjoint diagonalizationComputer Vision and Pattern RecognitionElectrical and Electronic EngineeringAlgorithmSoftwareMixing (physics)MathematicsSignal Processing
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Depressive symptoms during adolescence: Do learning difficulties matter?

2011

To examine whether learning difficulties play a role in depressive symptoms, 658 Finnish adolescents were asked to complete scales for depression three times during the transition to post-comprehensive education. They also reported on their learning difficulties and feelings of inadequacy as a student. The results showed that learning difficulties prospectively predicted depressive symptoms. Moreover, the impact of learning difficulties was mediated via inadequacy as a student: learning difficulties predicted feelings of inadequacy as a student which, in turn, contributed to greater increases in depressive symptoms. Finally, gender moderated the association between learning difficulties an…

ta112Social Psychologymedia_common.quotation_subjecteducationPoison controlHuman factors and ergonomicsModerationSuicide preventionOccupational safety and healthEducationDevelopmental psychologyDevelopmental NeuroscienceFeelingInjury preventionDevelopmental and Educational PsychologyLife-span and Life-course StudiesAssociation (psychology)Psychologyta515Social Sciences (miscellaneous)media_commonClinical psychologyInternational Journal of Behavioral Development
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Dependency on un-captured GDP as a source of resilience beyond economic value in countries with advanced ICT infrastructure: Similarities and dispari…

2015

Abstract The majority of countries with advanced information and communication technology (ICT) infrastructure have been experiencing extended stagnation due to an “embedded” trap in ICT advancement. However, certain countries have been able to sustain a high level of ICT- driven global competitiveness. This suggests that in these contexts there is resilience beyond economic value. Finland and Singapore can be considered countries of resilience with respect to ICT-driven global competitiveness because of their continued GDP growth despite the recession. While both countries share significant similarities including institutional strength in ICT, they demonstrate noteworthy disparities in the…

ta113Economic efficiencyGovernmentEconomic growthta511Index (economics)Sociology and Political Sciencemedia_common.quotation_subjectGrowth or happinessHuman Factors and ErgonomicsUn-captured GDPRecessionEducationTrap in ICT advancementResilience beyond economic valueInformation and Communications TechnologyDevelopment economicsValue (economics)Finland and Singapore as world ICT leaderHappinessEconomicsPsychological resilienceBusiness and International Managementta512media_commonTechnology in Society
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IMEX schemes for pricing options under jump–diffusion models

2014

We propose families of IMEX time discretization schemes for the partial integro-differential equation derived for the pricing of options under a jump-diffusion process. The schemes include the families of IMEX-midpoint, IMEX-CNAB and IMEX-BDF2 schemes. Each family is defined by a convex combination parameter [email protected]?[0,1], which divides the zeroth-order term due to the jumps between the implicit and explicit parts in the time discretization. These IMEX schemes lead to tridiagonal systems, which can be solved extremely efficiently. The schemes are studied through Fourier stability analysis and numerical experiments. It is found that, under suitable assumptions and time step restric…

ta113Numerical AnalysisMathematical optimizationTridiagonal matrixDiscretizationApplied MathematicsJump diffusionStability (probability)Term (time)Computational MathematicsValuation of optionsConvex combinationLinear multistep methodMathematicsApplied Numerical Mathematics
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Functional inequalities for generalized inverse trigonometric and hyperbolic functions

2014

Various miscellaneous functional inequalities are deduced for the so-called generalized inverse trigonometric and hyperbolic functions. For instance, functional inequalities for sums, difference and quotient of generalized inverse trigonometric and hyperbolic functions are given, as well as some Gr\"unbaum inequalities with the aid of the classical Bernoulli inequality. Moreover, by means of certain already derived bounds, bilateral bounding inequalities are obtained for the generalized hypergeometric ${}_3F_2$ Clausen function.

ta113Pure mathematicsGeneralized inverseBernoulli's inequalityGeneralized inverse trigonometric functions; Generalized inverse hyperbolic functions; Functional inequalities; Generalized hypergeometric 3F2 functionApplied MathematicsHyperbolic functionMathematics::Classical Analysis and ODEsHypergeometric distributionClausen functionMathematics - Classical Analysis and ODEsBounding overwatchClassical Analysis and ODEs (math.CA)FOS: MathematicsTrigonometry33B99 26D15 33C20 33C99AnalysisQuotientMathematicsJournal of Mathematical Analysis and Applications
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Iron and pH regulating the photochemical mineralization of dissolved organic carbon

2017

Solar radiation mineralizes dissolved organic matter (DOM) to dissolved inorganic carbon through photochemical reactions (DIC photoproduction) that are influenced by iron (Fe) and pH. This study addressed as to what extent Fe contributes to the optical properties of the chromophoric DOM (CDOM) and DIC photoproduction at different pH values. We created the associations of Fe and DOM (Fe-DOM) that cover the range of loadings of Fe on DOM and pH values found in freshwaters. The introduced Fe enhanced the light absorption by CDOM independent of pH. Simulated solar irradiation decreased the light absorption by CDOM (i.e., caused photobleaching). Fe raised the rate of photobleaching and steepened…

ta222mineralisation010504 meteorology & atmospheric sciencesphGeneral Chemical Engineeringsolar radiationhiiliInorganic chemistryta1172education116 Chemical sciencesrauta010501 environmental sciencesPhotochemistry01 natural sciencesMineralization (biology)Articlelaw.inventionlcsh:ChemistryironMagazinelawDissolved organic carbonIrradiationauringonsäteilyta1161172 Environmental sciences0105 earth and related environmental sciencesChemistrypHcarbonGeneral ChemistryPhotobleaching6. Clean watermineralisaatioColored dissolved organic matterlcsh:QD1-999
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Design of mobile phones for older adults : An empirical analysis of design guidelines and checklists for feature phones and smartphones

2017

Design guidelines and checklists are suggested as a useful tool in the development and evaluation of interface design of mobile phones for older adults. Given the intense evolution of mobile phone design, understanding how the design guidelines and checklists have taken into account the advances in mobile phone usability for older adults is important for their correct application and future development. Thus, this study explores the usability dimensions of mobile phone design for older adults and the related changes in terms of time and the type of device (feature phones vs. smartphones) based on an expert coding of the eight mobile phone design guidelines and checklists for older adults pu…

tarkistuslistattoimintaohjeetComputer sciencedesignHuman Factors and Ergonomics02 engineering and technologycomputer.software_genreHuman–computer interaction0202 electrical engineering electronic engineering information engineering0501 psychology and cognitive sciencesText entryguidelinesFeature phoneta518Interface designheuristic analysis050107 human factorschecklistsolder adultsHaptic technologyta113High contrastmobile phoneMultimediakäytettävyysbusiness.industry05 social sciences020207 software engineeringUsabilityta5142Computer Science ApplicationsälypuhelimetHuman-Computer InteractionusabilitymuotoiluMobile phoneComputingMilieux_COMPUTERSANDSOCIETYbusinesscomputermatkapuhelimetikääntyneetCoding (social sciences)International Journal of Human-Computer Interaction
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New occurrence of the Ordovician eocrinoid Cardiocystites: Palaeogeographical and palaeoecological implications

2007

10 pages; International audience; Flattened eocrinoids are very rare in the fossil record, notably because of their fragility. Recent investigations in the Anti−Atlas (Morocco) have provided one of the oldest known specimens of Cardiocystites from the Upper Ordovician (early–middle Sandbian). This discovery increases the number of eocrinoid genera known in Morocco. This new material is the fifth published specimen of the genus Cardiocystites. It is well preserved, thus allowing morphological details, such as the location of the anal pyramid and the plane of thecal flattening, to be observed. Palaeoecological reconstruction can be deduced or confirmed from these new details. The respiration …

taxonomyMoroccoGondwanapalaeobiogeographyOrdovician[SDU.STU.PG] Sciences of the Universe [physics]/Earth Sciences/PaleontologyBlastozoapalaeoecology[SDU.STU.PG]Sciences of the Universe [physics]/Earth Sciences/Paleontology[ SDU.STU.PG ] Sciences of the Universe [physics]/Earth Sciences/PaleontologyEocrinoidea
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