Search results for "ZOL"

showing 10 items of 4792 documents

Halogen effect on structure and 13C NMR chemical shift of 3,6-disubstituted-N-alkyl carbazoles

2013

Structures of selected 3,6-dihalogeno-N-alkyl carbazole derivatives were calculated at the B3LYP/6-311++G(3df,2pd) level of theory, and their 13C nuclear magnetic resonance (NMR) isotropic shieldings were predicted using density functional theory (DFT). The model compounds contained 9H, N-methyl and N-ethyl derivatives. The relativistic effect of Br and I atoms on nuclear shieldings was modeled using the spin–orbit zeroth-order regular approximation (ZORA) method. Significant heavy atom shielding effects for the carbon atom directly bonded with Br and I were observed (~−10 and ~−30 ppm while the other carbon shifts were practically unaffected). The decreasing electronegativity of the haloge…

13 C NMRGIAO NMRrelativistic effectHALACarbazolehalogen substituentMagnetic Resonance in Chemistry
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Intranasal midazolam for treating acute respiratory crises in a woman with stiff person syndrome.

2020

Stiff person syndrome (SPS) is a rare neurologic disorder characterized by progressively worsening rigidity and spasms of the axial and limb muscles. Dyspnea has been recently recognized as a common symptom in SPS,1 and life-threatening respiratory crises have been occasionally reported and suspected to be responsible for sudden death in these patients.2,3 The pathophysiologic mechanisms of these respiratory manifestations remain unclear. Some authors have hypothesized that rigidity and/or spasm of the muscles of the trunk could prevent normal rib cage movements and excursion of the diaphragm.1

131040301 veterinary sciencesMidazolam116Stiff-Person Syndromerespiratory crisesSudden deathstiff person syndrome midazolam respiratory crises0403 veterinary science03 medical and health sciencesBenzodiazepines0302 clinical medicineMedicineHumansStiff syndromeRespiratory systemIntranasal midazolamintranasal midazolamClinical/Scientific NotesAdministration IntranasalRib cagebusiness.industry30304 agricultural and veterinary sciencesMiddle Agedmedicine.diseaseTrunkbody regionsDyspneaNeurologyAnesthesiaSettore MED/26 - NeurologiaFemaleNeurology (clinical)businessRespiratory Insufficiency030217 neurology & neurosurgeryStiff person syndromeNeurology(R) neuroimmunologyneuroinflammation
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CCDC 127936: Experimental Crystal Structure Determination

2001

Related Article: S.Kiviniemi, M.Nissinen, M.T.Lamsa, J.Jalonen, K.Rissanen, J.Pursiainen|2000|New J.Chem.|24|47|doi:10.1039/a907608e

18-Crown-6 bis(imidazolium) clathrate diperchlorateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1935935: Experimental Crystal Structure Determination

2020

Related Article: Rakesh Puttreddy, J. Mikko Rautiainen, Toni Mäkelä, Kari Rissanen|2019|Angew.Chem.,Int.Ed.|58|18610|doi:10.1002/anie.201909759

1H-12-benzothiazole-113(2H)-trione -2-phenyl-1--pyridine N-oxdeSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1935934: Experimental Crystal Structure Determination

2020

Related Article: Rakesh Puttreddy, J. Mikko Rautiainen, Toni Mäkelä, Kari Rissanen|2019|Angew.Chem.,Int.Ed.|58|18610|doi:10.1002/anie.201909759

1H-12-benzothiazole-113(2H)-trione 26-dimethyl-1-pyridine N-oxideSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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catena-Poly[[(18-crown-6-κ6O)potassium]-μ-chlorido-[(1H-benzotriazol-1-ol-κN3)chloridoplatinum(II)]-μ-(benzotriazol-1-olato-κ2N3:O)]

2010

In the structure of the title compound, [KPt(C6H4N3O)Cl2(C6H5N3O)(C12H24O6)], the PtII atom is in a distorted square-planar geometry. The crystal structure is consolidated by O—H⋯O hydrogen bonds. The measured crystal was a non-merohedral twin with four components.

1H-BenzotriazolHydrogen bondPotassium18-Crown-6chemistry.chemical_elementGeneral ChemistryCrystal structureCondensed Matter PhysicsBioinformaticsCrystalchemistry.chemical_compoundCrystallographychemistryGeneral Materials ScienceActa Crystallographica Section E Structure Reports Online
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CCDC 145655: Experimental Crystal Structure Determination

2000

Related Article: J.T.Kovalainen, E.Wegelius, J.A.M.Christiaans, J.Huuskonen, J.Gynther|2000|Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.|56|e216|doi:10.1107/S0108270100005291

2(S)-Amino-3-(1H-imidazol-4(5)-yl)propyl 4-bromobenzyl ether dihydrochlorideSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1421617: Experimental Crystal Structure Determination

2016

Related Article: Jakob Wudarczyk, George Papamokos, Vasilis Margaritis, Dieter Schollmeyer, Felix Hinkel, Martin Baumgarten, George Floudas, Klaus Müllen|2016|Angew.Chem.,Int.Ed.|55|3220|doi:10.1002/anie.201508249

22-Dimethyl-23-dihydro-1H-benzimidazole-4567-tetracarbonitrile tetrahydrofuran solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Synthesis and anti-HIV activity of 2,3-diaryl-1,3-thiazolidin-4-(thi)one derivatives.

2002

Several 2,3-diaryl-1,3-thiazolidine-4-thione derivatives and 2,3-diaryl-1,3-thiazolidin-4-ones bearing a methyl group at C-5 position have been synthesized and tested as anti-HIV agents. The results of the in vitro tests showed that some of them proved to be effective inhibitors of HIV-1 replication.

23-Diaryl-13-thiazolidine-4-thioneAnti-HIV activity23-Diaryl-13-thiazolidin-4-oneStereochemistryAnti-HIV AgentsCell SurvivalPharmaceutical ScienceVirus ReplicationChemical synthesischemistry.chemical_compoundInhibitory Concentration 50Structure-Activity RelationshipThiadiazolesDrug DiscoveryThiadiazolesmedicineTumor Cells CulturedStructure–activity relationshipHumansAnti hiv activityReverse-transcriptase inhibitorGeneral MedicineSettore CHIM/08 - Chimica FarmaceuticaIn vitrochemistryNNRTIsLactamHIV-1EpimerMethyl groupmedicine.drugFarmaco (Societa chimica italiana : 1989)
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CCDC 827086: Experimental Crystal Structure Determination

2011

Related Article: A.Kudelko, W.Zielinski, K.Ejsmont|2011|Tetrahedron|67|7838|doi:10.1016/j.tet.2011.07.047

2-(1-Amino-11-diphenylmethyl)-5-phenyl-134-oxadiazoleSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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