Search results for "withdrawing"

showing 5 items of 5 documents

Effect of electron-withdrawing substituents on the electrophilicity of carbonyl carbons

2005

Indexación: Scopus The substituent effects on the carbonyl carbon atom for a series of twelve substituted phenyl acetates have been rationalized using a global electrophilicity index. This index is linearly correlated with the experimental reaction rate coefficients. We found that, in contrast to the proposed interpretation based on experimental 13C NMR chemical shifts and ground state destabilization calculations, the electrophilicity of carbonyl compounds increases due to the effect promoted by electron-withdrawing groups in these systems. https://www.sciencedirect.com/science/article/pii/S0040402004018046?via%3Dihub

Carbon atomChemistryChemical shiftOrganic ChemistrySubstituentcarbonyl derivativecarbonylCarbon-13 NMRcarbon nuclear magnetic resonancePhotochemistryDFT calculationsBiochemistryMedicinal chemistryParrReaction rateElectron-withdrawing effectschemistry.chemical_compoundElectronegativityDrug DiscoveryElectrophilePolar effectChemical Reactivityphenylacetic acid derivativeElectrophilicityGround state
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Correction to: Withholding or withdrawing of life-sustaining therapy in older adults (≥ 80 years) admitted to the intensive care unit (Intensive Care…

2018

In the original publication Dr Patrick Meybohm of the Department of Anaesthesiology, Intensive Care Medicine and Pain Therapy, Frankfurt University Hospital, Frankfurt, Germany was inadvertently omitted from the list of investigators.

End of lifeICUwithdrawing
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Substituent effects in trans-p,p'-disubstituted azobenzenes: X-ray structures at 100 K and DFT-calculated structures.

2014

The crystal and molecular structures of twopara-substituted azobenzenes with π-electron-donating –NEt2and π-electron-withdrawing –COOEt groups are reported, along with the effects of the substituents on the aromaticity of the benzene ring. The deformation of the aromatic ring around the –NEt2group inN,N,N′,N′-tetraethyl-4,4′-(diazenediyl)dianiline, C20H28N4, (I), may be caused by steric hindrance and the π-electron-donating effects of the amine group. In this structure, one of the amine N atoms demonstrates clearsp2-hybridization and the other is slightly shifted from the plane of the surrounding atoms. The molecule of the second azobenzene, diethyl 4,4′-(diazenediyl)dibenzoate, C18H18N2O4,…

Steric effectscrystal structureChemistryStereochemistry4electron-donating effectsSubstituentAromaticityCrystal structureDFT calculationsCondensed Matter PhysicsInorganic ChemistryCrystalelectron-withdrawing effectsHOMA indexCrystallographychemistry.chemical_compoundMaterials Chemistry4'-(diazenediyl)dibenzoateAmine gas treatingDensity functional theoryPhysical and Theoretical Chemistryazo­benzenesBenzene4'-(diazene­diyl)dianilineActa crystallographica. Section C, Structural chemistry
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Substituent effects in nitro derivatives of carbazoles investigated by comparison of low-temperature crystallographic studies with density functional…

2014

The crystal structure of 9H-carbazole, C12H9N, (I), has been redetermined at low temperature for use as a reference structure in a comparative study with the structures of 1-nitro-9H-carbazole, C12H8N2O2, (II), and 9-nitrocarbazole, C12H8N2O2, (III). The molecule of (I) has crystallographically imposed mirror symmetry (Z′ = 0.5). All three solid-state structures are slightly nonplanar, the dihedral angles between the planes of the arene and pyrrole rings ranging from 0.40 (7)° in (III) to 1.82 (18)° in (II). Nevertheless, a density functional theory (DFT) study predicts completely planar conformations for the isolated molecules. To estimate the influence of nitro-group substitution on aroma…

crystal structuremolecular electronicsSubstituentStackingElectronsbiological activityCrystal structureDihedral angleCrystallography X-RayDFT calculationsInorganic Chemistrychemistry.chemical_compoundDelocalized electronHOMA indexMaterials ChemistryPhysical and Theoretical ChemistryMolecular StructureHydrogen bondTemperatureHydrogen BondingAromaticityNitro CompoundsCondensed Matter PhysicsCrystallographycarbazoleselectron-withdrawing effectschemistryQuantum TheoryDensity functional theoryActa Crystallographica Section C-Structural Chemistry
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Futile Therapy versus Worthy Dying: Anthropological and Ethical Arguments

2020

Nowadays, issues related to the final stages of life stand more and more at the centre of problems relating to life and health, which result, for example, from the demographic situation in highly developed societies. In the last decades of the twentieth century, an explosion of therapeutic possibilities in the field of technical medicine has caused such questions to be voiced more and more frequently: Should humans try to live as long as possible, or should they live as long as they can with dignity and then die with dignity? Despite the seemingly obvious answer, there is still considerable medical and social resistance to the policy of discontinuing futile therapy. There are probably many …

withholding treatmentFutile (persistent) therapyright to a dignified deathquality of lifesufferingdyingwithdrawing treatmentterminal phase of diseaseBogoslovni vestnik
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