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showing 10 items of 19225 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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CCDC 604222: Experimental Crystal Structure Determination

2007

Related Article: K.Ejsmont, R.Gajda, M.Makowski|2007|Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.|63|o80|doi:10.1107/S0108270106052590

t-Butoxycarbonylglycyl-dehydroalanyl-glycine methyl esterSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1444032: Experimental Crystal Structure Determination

2016

Related Article: Fares Ibrahim Amr, Carlos Vila, Gonzalo Blay, M. Carmen Muñoz and José R. Pedro|2016|Adv.Synth.Catal.|358|1583|doi:10.1002/adsc.201600036

t-butyl (1-benzyl-5-chloro-3-(34-dimethyl-5-oxo-1-phenyl-45-dihydro-1H-pyrazol-4-yl)-2-oxo-23-dihydro-1H-indol-3-yl)carbamateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2092891: Experimental Crystal Structure Determination

2021

Related Article: Laura Carceller-Ferrer, Carlos Vila, Gonzalo Blay, M. Carmen Muñoz, José R. Pedro|2021|Org.Lett.|23|7391|doi:10.1021/acs.orglett.1c02571

t-butyl {1-(methoxymethyl)-3-[2-(3-methyl-5-oxo-1-phenyl-15-dihydro-4H-pyrazol-4-ylidene)propyl]-2-oxo-23-dihydro-1H-indol-3-yl}carbamateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1522803: Experimental Crystal Structure Determination

2017

Related Article: Aino J. Karhu, Juho Jämsä, J. Mikko Rautiainen, Raija Oilunkaniemi, Tristram Chivers and Risto S. Laitinen|2017|Z.Anorg.Allg.Chem.|643|495|doi:10.1002/zaac.201700031

t-butyl(chloroselanyl)selenamidous chlorideSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Design principles for collaboration platforms for open education

2015

Increasing the current low uptake of Open Education Resources (OER) is a key challenge for researchers and practitioners in the field. User studies have shown that collaboration is a main success factor for successful open educational activities. However, effective collaboration in open educational contexts requires well planned processes and platforms supporting collaboration, in particular in physically distributed settings. We have been investigating the value of such platforms, their main features and user requirements to enable collaboration from immature ideas to completed resources. We used quantitative and qualitative research methods to collect insights from potential users of such…

ta113Collaborative softwareKnowledge managementopen educational resourcesbusiness.industryComputer scienceIntellectual propertyUser requirements documentOpen educational resourcesFocus groupcollaborationTerminologyOpen educationcollaboration platformsOERopen educationbusinessQualitative research
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Citizens' Communication Habits and Use of ICTs During Crises and Emergencies

2014

In this article, citizens’ communication habits and use of information and communication technologies during crises and emergencies are discussed from the perspective of community resilience. The topic is approached qualitatively by exploring citizens’ perceptions, and the data were gathered by means of focus groups in storm-prone and flood-prone areas in Finland. The results indicate that citizens consider emergency communication to be mostly unidirectional: from authorities to the public. However, because crises are often complex and fast developing, cooperation among response organizations and citizen groups is needed to coproduce safety and in adapting to changing situations. Organizati…

ta113Community resilienceKnowledge managementSocial PsychologyEmergency managementlcsh:T58.5-58.64business.industrylcsh:Information technologyCommunicationInformation sharingInformation technologyPublic relationsFocus groupHuman-Computer Interactionemergency communicationInformation and Communications TechnologyICTPolitical sciencePublic participationSocial mediacitizen participationta518businessinformation and communication technologyHuman Technology
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How and Why to Start and Run a SIGCHI Local Chapter

2015

There is a vast and increasing interest towards local HCI communities around the globe and in particular on geographical areas in which HCI has only recently started to gain increasing interest by local industries as well as academic institutions. A SIGCHI Local Chapter is one of the ways a local HCI community can organize and get visibility and support for their activities. However, many active volunteers in this field might not be aware of this possibility. The main goal of the Chapters' SIG in CHI'15 is to inform interested parties of SIGCHI Local Chapters and to find ways in which SIGCHI could better support local HCI communities with their various needs all over the world.

ta113Human-Computer Interaction (HCI)ComputingMilieux_THECOMPUTINGPROFESSIONMultimediabusiness.industryField (Bourdieu)local communitiesVisibility (geometry)GlobePublic relationsSpecial Interest Groupcomputer.software_genreLocal communityspecial interest groupsInformationSystems_MODELSANDPRINCIPLESmedicine.anatomical_structurePolitical sciencemedicineInformationSystems_MISCELLANEOUSbusinesscomputerProceedings of the 33rd Annual ACM Conference Extended Abstracts on Human Factors in Computing Systems
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Teaching programming by emphasizing self-direction: How did students react to the active role required of them?

2013

Lecturing is known to be a controversial form of teaching. With massed classrooms, in particular, it tends to constrain the active participation of students. One of the remedies applied to programming education is to use technology that can vitalize interaction in the classroom, while another is to base teaching increasingly on programming activities. In this article, we present the first results of an exploratory study, in which we teach programming without lectures, exams, or grades, by heavily emphasizing programming activity, and, in a pedagogical sense, student self-direction. This article investigates how students reacted to the active role required of them and what issues emerged in …

ta113Independent studyGeneral Computer ScienceComputer scienceTeaching methodScheduling (production processes)Exploratory researchSelf directionEducationPedagogyActive learningComputingMilieux_COMPUTERSANDEDUCATIONMathematics educationta516Action researchGroup workACM Transactions on Computing Education
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Issues with a course that emphasizes self-direction

2013

In this paper, we examine a master's level course that emphasizes self-direction on the part of students. The course is run by weekly group assignments and requires independent work such that only one mandatory classroom session is arranged each week. Our specific research interests are how students responded to the setting of this kind and whether they demonstrated self-direction during the course. We surveyed the students' view of the course, their group work experience, and their study habits, and analyzed the resultant survey data for themes. The results suggest that while the pass rate was considerably high and the course was regarded as well-organized by the students, there were sever…

ta113Medical educationComputer scienceeducationPass rateSelf directionSession (web analytics)Course (navigation)Work (electrical)PedagogyActive learningComputingMilieux_COMPUTERSANDEDUCATIONSurvey data collectionta516Group work
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