Search results for "N′"

showing 6 items of 6 documents

Molecular and crystal structure of Ac-(Z)-ΔAbu-NMe2 and Ac-DL-Abu-NMe2 as compared to those of related molecules

2004

Abstract The molecular and crystal structures of two homologous amino acid derivatives: N-acetyl-α,β-dehydro-butyrine N´,N´-dimethylamide (1) and N-acetyl-DL-butyrine N´,N´-dimethylamide (2), have been determined by X-ray crystallography. Similar solid-state association of both compounds is observed; despite different molecular conformation, they form centrosymmetric dimers linked by the intermolecular N–H…O hydrogen bonds. The conformation of two crystallographically independent molecules of 1 [with torsion angles ϕ, ψ, χ 1 ≈ (–47°, 130°, 3°), respectively] is also characteristic of other related diamides – ΔAla, ΔPhe and ΔLeu – previously studied in the solid state. To analyse whether thi…

Hydrogen bondStereochemistryChemistryIntermolecular forceAb initioN′Crystal structureSingle crystal structure analysisCondensed Matter PhysicsN′-dimethylamidesX-ray diffractionInorganic ChemistryCrystallographyButyridine derivativeAb initio quantum chemistry methodsX-ray crystallographyMoleculePeptide designGeneral Materials ScienceAb initio DFT calculationsConformational isomerismZeitschrift Fur Kristallographie
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Host-Guest Complexes of C-Ethyl-2-methylresorcinarene and Aromatic N,N′-Dioxides

2017

The C‐ethyl‐2‐methylresorcinarene (1) forms 1:1 in‐cavity complexes with aromatic N,N′‐dioxides, only if each of the aromatic rings has an N−O group. The structurally different C‐shaped 2,2′‐bipyridine N,N′‐dioxide (2,2′‐BiPyNO) and the linear rod‐shaped 4,4′‐bipyridine N,N′‐dioxide (4,4′‐BiPyNO) both form 1:1 in‐cavity complexes with the host resorcinarene in C4v crown and C2v conformations, respectively. In the solid state, the host–guest interactions between the 1,3‐bis(4‐pyridyl)propane N,N′‐dioxide (BiPyPNO) and the host 1 stabilize the unfavorable anti‐gauche conformation. Contrary to the N,N′‐dioxide guests, the mono‐N‐oxide guest, 4‐phenylpyridine N‐oxide (4PhPyNO), does not form an…

HydrogenStereochemistrySupramolecular chemistryNN′-dioxideschemistry.chemical_element010402 general chemistry01 natural sciencesMedicinal chemistryBipyridinechemistry.chemical_compoundN′-dioxidessupramolekulaarinen kemiaConformationWeak interactionsta116ta114Resorcinarenes010405 organic chemistryHydrogen bondAromaticityGeneral ChemistryResorcinareneN0104 chemical scienceschemistryDeuteriumMethanolSupramolecular chemistry
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Chromatic-achromatic perimetry in four clinic cases: Glaucoma and diabetes

2015

Color perimetry has interesting clinical application for the diagnosis and detection of certain eye conditions, due to the variations that certain diseases can cause in chromatic thresholds, both in the red-green (RG) and the blue-yellow (BY) pathways.[1,2,3,4] The separate study of the visual function of both the chromatic and achromatic mechanisms could be more efficient in detecting sensitivity variations, and such variations would not be obscured by the intrusion of other mechanisms. Currently, the supply of conventional perimeters that are capable of performing a chromatic perimetry test is very limited and with reduced options regarding the possibility of choosing the physical charact…

Maleretinakoniohemangioblastomagenetic structuresComputer sciencemelanocytosisGlaucomaretinal vasoproliferative tumorEyeTwo stageslaw.inventionintra-arterial chemotherapyretinal capillary hemangiomaIntrusionlcsh:Ophthalmologylawperiocular chemotherapyintravitreal chemotherapytreatmentdiabetesenhanced depth imagingDiabetesenhanced depth imaging optical coherence tomographyMiddle AgedhemangiomaAchromatic lensFemaleOriginal Articleuveal melanomanevusAdulttumorchoroidal hemangiomaCiliary bodymonosomy 3lymphomaStimulus (physiology)Color spaceAutoflouroscenceuvearetinoblastomaContrast SensitivityosteomaCavernous hemangiomaParvoMagnoResearch basedmedicinemelanomagene expression profilingHumansmetastasisChemotherapyChromatic scalemetastasesirisÓpticachromatic perimetryoptical coherence tomographyintravenous chemotherapybusiness.industryChoroidKonioSubtenon′s chemotherapyReproducibility of ResultsPattern recognitionGlaucomamedicine.diseaseAchromatic perimetrymagnoOphthalmologyglaucomaDiabetes Mellitus Type 2lcsh:RE1-994parvoOptometryVisual Field TestsAstrocytic hamartomavitreous seedsArtificial intelligenceprognosisVisual FieldsbusinessChromatic perimetrymalignancy
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Conformational properties of N-acetyl-L-alanine N',N'-dimethylamide

2004

Ab initio/DFT analysis of the conformational properties of free Ac-Ala-NMe(2) (N-acetyl-L-alanine-N',N'-dimethylamide) in terms of the N-H.O, N-H.N, C-H.O hydrogen bonds and C(delta+) = O(delta-) dipole attractions was performed. The Ala residue combined with the C-terminal tertiary amide prefers an extended conformation and that characteristic of the (i + 1)th position of the betaVIb turn. These can be easily remodelled into a structure compatible with the (i + 1)th position of the betaII/betaVIa turn. The residue has also the potential to adopt the conformation accommodated at both central positions of the betaIII/betaIII' turn or the (i + 1)th position of the betaI/beta'I turn.

Models MolecularAlkylationProtein ConformationStereochemistryMolecular ConformationAb initioCalorimetryN-acetyl-L-alanineGeneral Biochemistry Genetics and Molecular Biologyab initio/DFT calculationschemistry.chemical_compoundResidue (chemistry)AmideN-alkylpeptidesPeptide designAlanineHydrogen bondN′N′-dimethylamidesAmidesβ-turnsDipoleCrystallographyAlanine derivativechemistryThermodynamicsPeptidesActa Biochimica Polonica
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ADVANCED ENDOSCOPIC IMAGING FOR SURVEILLANCE FOR DYSPLASIA AND COLORECTAL CANCER IN INFLAMMATORY BOWEL DISEASE: COULD THE PATHOLOGIST BE FURTHER HELP…

2014

Patients with inflammatory bowel disease (IBD) have an increased risk of developing intestinal cancer. The magnitude of that increased risk as well as how best to mitigate it remain a topic of ongoing investigation in the field. It is important to quantify the risk of colorectal cancer in association with IBD. The reported risk varies widely between studies. This is partly due to the different methodologies used in the studies. Because of the limitations of surveillance strategies based on the detection of dysplasia, advanced endoscopic imaging and techniques involving the detection of alterations in mucosal antigens and genetic abnormalities are being investigated. Development of new bioma…

Pathologymedicine.medical_specialtyColorectal cancerReview ArticleComorbidityInflammatory bowel diseaseEndoscopy GastrointestinalADVANCED ENDOSCOPIC IMAGING DYSPLASSIA COLON CANCER IBDEndoscopic imagingRisk Factorsinflammatory bowel diseasemedicineHumanslcsh:RC799-869Intestinal Cancerulcerative colitisPatient Care TeamCrohn's diseaseSettore MED/12 - GastroenterologiaMicroscopy Confocalbusiness.industryCrohn′s diseaseGastroenterologyInflammatory Bowel Diseasesmedicine.diseaseUlcerative colitisColorectal cancerdigestive system diseasesCrohn's diseaseSettore MED/18 - Chirurgia GeneraleDysplasiaPopulation SurveillancesurveillanceBiomarker (medicine)lcsh:Diseases of the digestive system. GastroenterologyColorectal Neoplasmsbusiness
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Host-Guest Complexes of C-Ethyl-2-methylresorcinarene and Aromatic

2017

Abstract The C‐ethyl‐2‐methylresorcinarene (1) forms 1:1 in‐cavity complexes with aromatic N,N′‐dioxides, only if each of the aromatic rings has an N−O group. The structurally different C‐shaped 2,2′‐bipyridine N,N′‐dioxide (2,2′‐BiPyNO) and the linear rod‐shaped 4,4′‐bipyridine N,N′‐dioxide (4,4′‐BiPyNO) both form 1:1 in‐cavity complexes with the host resorcinarene in C 4v crown and C 2v conformations, respectively. In the solid state, the host–guest interactions between the 1,3‐bis(4‐pyridyl)propane N,N′‐dioxide (BiPyPNO) and the host 1 stabilize the unfavorable anti‐gauche conformation. Contrary to the N,N′‐dioxide guests, the mono‐N‐oxide guest, 4‐phenylpyridine N‐oxide (4PhPyNO), does …

conformationFull PaperNN′-dioxidesresorcinarenesweak interactionsFull Paperssupramolecular chemistryChemistryOpen
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