Search results for " Br"

showing 10 items of 6485 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
researchProduct

L'idéologie durable. Une analyse sémiotique du Rapport Brundtland

2017

Le rapport "Notre avenir à tous" (1989) exprime, en définissant le « développement durable », un souci d’harmonisation des rapports entre les nations qui était déjà présent dans la charte (1945) des nations unies prônant, de son côté, la paix internationale. Ce rapport marque pourtant un tournant stratégique: l’invitation à un mode de vie partagé passe cette fois par un « retour à la nature ». Il semble que la nature y acquière la valeur d’un impératif urgent, tout en faisant problème. En effet, en lisant le rapport, on s’aperçoit que cet appel à la nature est loin d’être univoque. Malgré ses apparences, la rien n’est plus instable que le concept de nature. L’analyse montre que le champ sém…

sémiotique juridique idéologie durable rapport Brundtland gouvernementalité droit de l'environnementSettore M-FIL/05 - Filosofia E Teoria Dei Linguaggi
researchProduct

« L’Ecriture d’Art Brut : les innovations du mot et de l’image »

2009

International audience

sémiotique[ SHS.LANGUE ] Humanities and Social Sciences/Linguistics[SHS.ART] Humanities and Social Sciences/Art and art historyimage[SHS.ART]Humanities and Social Sciences/Art and art history[SHS.LANGUE]Humanities and Social Sciences/Linguistics[ SHS.ART ] Humanities and Social Sciences/Art and art historymotécriture[SHS.LANGUE] Humanities and Social Sciences/LinguisticsArt BrutComputingMilieux_MISCELLANEOUS
researchProduct

L'Age du Bronze à Barbuise-Courtavant (Aube) du XIXe siècle... à demain

2004

International audience

sépultureBarbuiseâge du BronzedécouvertesComputingMilieux_MISCELLANEOUS
researchProduct

Enclos fossoyés et sépultures de l'âge du Bronze à Saint-Vulbas : la fouille du PIPA, lot 7, secteur 4000 (Ain, Auvergne-Rhône-Alpes)

2017

sépulture[SHS.ARCHEO] Humanities and Social Sciences/Archaeology and PrehistorySaint-Vulbasâge du Bronze[SHS.ARCHEO]Humanities and Social Sciences/Archaeology and PrehistoryAuvergne-Rhône-AlpesfouilleAinEnclos fossoyés
researchProduct

Le fonctionnement des sépultures en position assise des confluences Seine-Yonne et Seine-Aube (France)

2001

International audience

sépulture[SHS.ARCHEO] Humanities and Social Sciences/Archaeology and Prehistory[SHS.ARCHEO]Humanities and Social Sciences/Archaeology and Prehistorypratiques funérairesâge du Bronze[ SHS.ARCHEO ] Humanities and Social Sciences/Archaeology and PrehistoryComputingMilieux_MISCELLANEOUS
researchProduct

Chapitre XIV. Du Néolithique final au Bronze ancien : les sépultures individuelles campaniformes dans le sud de la France

2011

sépulturefunéraire[SHS.ARCHEO] Humanities and Social Sciences/Archaeology and Prehistory[SHS.ARCHEO]Humanities and Social Sciences/Archaeology and Prehistoryâge du Bronze[ SHS.ARCHEO ] Humanities and Social Sciences/Archaeology and PrehistoryNéolithiqueFrancecampaniforme
researchProduct

Vibrational Perturbations and Ligand–Layer Coupling in a Single Crystal of Au144(SC2H4Ph)60 Nanocluster

2015

We have determined vibrational signatures and optical gap of the Au144(PET)60 (PET: phenylethylthiol, SC2H4Ph) nanocluster solvated in deuterated dichloromethane (DCM-D2, CD2Cl2) and in a single crystal. For crystals, solid-state (13)C NMR and X-ray diffraction were also measured. A revised value of 2200 cm(-1) (0.27 eV) was obtained for the optical gap in both phases. The vibrational spectra of solvated AU144(PET)60 closely resembles that of neat PET, while the crystalline-state spectrum exhibits significant inhomogeneous spectral broadening, frequency shifts, intensity transfer between vibrational modes, and an increase in the overtone and combination transition intensities. Spectral broa…

ta114ChemistryOvertoneta221Analytical chemistryOvertone bandMolecular physicsHot bandCrystalMolecular vibrationGeneral Materials SciencePhysical and Theoretical ChemistryRotational–vibrational couplingSingle crystalta116Doppler broadeningThe Journal of Physical Chemistry Letters
researchProduct

Symmetry breaking in ligand-protected gold clusters probed by nonlinear optics

2016

The first hyperpolarizabilities of [Au25(SR)18](-1/0) and Au38(SR)24 clusters were determined by Hyper-Rayleigh Scattering. A strong dependence on the molecular symmetry was observed, and we explore two strategies to destroy the center of inversion in [Au25(SR)18](-1/0), protection by chiral ligands and alloying of the cluster with silver. This may open new avenues to applications of Au : SR clusters in second-order nonlinear optics.

ta114Condensed matter physicsligandsChemistryScatteringLigandnonlinear opticsNonlinear optics02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnologygold clusters01 natural sciencesMolecular physics0104 chemical sciencesmolecular symmetryMolecular symmetryCluster (physics)General Materials ScienceSymmetry breaking0210 nano-technologyta116Nanoscale
researchProduct

Visualising maritime vessel open data for better situational awareness in ice conditions

2018

Situational awareness of maritime vessels in ice conditions is important for the operation of supply chains. In the artic sea areas, the ice conditions pose a major challenge for maritime vessels getting stuck in the ice and being significantly delayed in arrival to harbor. Data science and open data provide new opportunities to overcome these challenges. This paper introduces available open data sources and data visualizations that can be used to develop applications, for example, for detecting maritime vessel collision, predicting estimated time of arrival to harbor, as well as maritime vessel route optimization in ice conditions. The paper begins by introducing available open data source…

ta222Situation awarenessComputer sciencepaikkatiedotice breakingSupply chainopen data02 engineering and technologyGeneralLiterature_MISCELLANEOUSice conditionsopen sourceData visualizationavoin lähdekoodiApplication areas020204 information systems0502 economics and business0202 electrical engineering electronic engineering information engineeringCode (cryptography)jäätilanneta512avoin tietota113geographic informationmerialueetbusiness.industry05 social sciencesEstimated time of arrivalavoin datamaritime vesselCollisiontilannekuvaOpen datasituational awarenessmeriliikennepaikkatietojärjestelmätSystems engineeringmaritime navigationdata sciencebusiness050203 business & management
researchProduct