Search results for "DIIS"

showing 10 items of 135 documents

CCDC 791091: Experimental Crystal Structure Determination

2011

Related Article: J.Konu, H.M.Tuononen, T.Chivers|2009|Inorg.Chem.|48|11788|doi:10.1021/ic901878h

(((Diisopropylphosphoroselenoyl)methylene)(diisopropyl)(selanyl)phosphoranato)-(NNN'N'-tetramethylethane-12-diamine)-lithiumSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1854972: Experimental Crystal Structure Determination

2019

Related Article: Jamie Hicks, Akseli Mansikkamäki, Petra Vasko, Jose M. Goicoechea,  Simon Aldridge|2019|Nature Chemistry|11|237|doi:10.1038/s41557-018-0198-1

(45-bis(26-diisopropylanilido)-27-di-t-butyl-99-dimethylxanthene)-(tris(t-butyl)phosphine)-gold-aluminium benzene solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1061399: Experimental Crystal Structure Determination

2015

Related Article: Ana Gimeno, Alejandra Rodríguez-Gimeno, Ana B. Cuenca, Carmen Ramírez de Arellano, Mercedes Medio-Simón, Gregorio Asensio|2015|Chem.Commun.|51|12384|doi:10.1039/C5CC04606H

(mu-2-(22-bis(methoxycarbonyl)hex-5-en-1-yl)-3H-indol-3-ylidene)-bis(13-bis(26-diisopropylphenyl)imidazol-2-ylidene)-di-gold hexafluoro-antimony dichloromethane solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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TRPM8 Channel Activation Reduces the Spontaneous Contractions in Human Distal Colon

2020

The transient receptor potential-melastatin 8 (TRPM8) is a non-selective Ca2+-permeable channel, activated by cold, membrane depolarization, and different cooling compounds. TRPM8 expression has been found in gut mucosal, submucosal, and muscular nerve endings. Although TRPM8 plays a role in pathological conditions, being involved in visceral pain and inflammation, the physiological functions in the digestive system remain unclear as yet. The aims of the present study were: (i) to verify the TRPM8 expression in human distal colon

0301 basic medicineMaleGene ExpressionPharmacologySettore BIO/09 - Fisiologialcsh:ChemistryTissue Culture Techniqueschemistry.chemical_compound0302 clinical medicineIntestinal MucosaReceptorlcsh:QH301-705.5Spectroscopyhuman colon contractilityAged 80 and overTetraethylammoniumDepolarizationGeneral MedicineIberiotoxinMiddle AgedComputer Science Applications030220 oncology & carcinogenesisTetrodotoxinFemaleMuscle ContractionAgonistSerotoninmedicine.drug_classColonTRPM Cation ChannelsTetrodotoxinApaminCatalysisArticleInorganic Chemistry03 medical and health sciencesIBSmedicineTRPM8HumansPhysical and Theoretical ChemistryMolecular BiologyAgedOrganic ChemistryMuscle SmoothTetraethylammonium chloridePhosphinic Acids1-[Diisopropyl-phosphinoyl]-alkane (DIPA)030104 developmental biologychemistrylcsh:Biology (General)lcsh:QD1-999ApaminTRPM-8PeptidesInternational Journal of Molecular Sciences
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CCDC 697075: Experimental Crystal Structure Determination

2010

Related Article: K.E.Krahulic, H.M.Tuononen, M.Parvez, R.Roesler|2009|J.Am.Chem.Soc.|131|5858|doi:10.1021/ja9001234

15-bis(26-Diisopropylphenyl)-24-bis(dimethylamino)-3-methyl-1524-diazadiborinineSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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The Vibrio choleare haemolysin anion channel is required for cell vacuolation and death

2002

SummarySeveral strains of Vibrio cholerae secrete ahaemolytic toxin of 63kDa, termed V. cholerae cytolysin (VCC). This toxin causes extensive vacuo-lation and death of cells in culture and forms ananion-selective channel in planar lipid bilayers and incells. Here, we identify inhibitors of the VCC anionchannel and show that the formation of the anionchannel is necessary for the development of the vacuoles and for the cell death induced by this toxin. Using markers of cell organelles, we show that vacuoles derive from different intracellular com-partments and we identify the contribution of lateendosomes and of the trans -Golgi network in vacuolebiogenesis.Introduction The Gram-negative bact…

4-Acetamido-4'-isothiocyanatostilbene-22'-disulfonic AcidImmunologyLipid BilayersVirulenceGolgi ApparatusVacuoleEndosomesBiology44'-Diisothiocyanostilbene-22'-Disulfonic AcidIn Vitro Techniquesmedicine.disease_causeTransfectionMicrobiologyModels BiologicalAmmonium ChlorideIon ChannelsMicrobiologyCell LineHemolysin ProteinsBacterial ProteinsVirologyOrganelleChlorocebus aethiopsmedicineAnimalsHumansSecretionVero CellsVibrio choleraeCell DeathCytotoxinsHemolysinAnti-Bacterial AgentsVibrio choleraeVacuolesCytolysinMacrolidesIntracellular
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Phase equilibrium for the systems diisopropyl ether, isopropyl alcohol+2,2,4-trimethylpentane and +n-heptane at 101.3kPa

2010

Abstract Consistent vapour–liquid equilibrium data for the ternary systems diisopropyl ether + isopropyl alcohol + 2,2,4-trimethylpentane and diisopropyl ether + isopropyl alcohol + n-heptane are reported at 101.3 kPa. The vapour–liquid equilibrium data have been correlated by Wilson, NRTL and UNIQUAC equations. The ternary systems do not present ternary azeotropes.

Activity coefficientTernary numeral systemUNIQUACGeneral Chemical EngineeringGeneral Physics and AstronomyThermodynamicsIsopropyl alcoholchemistry.chemical_compoundchemistryNon-random two-liquid modelDiisopropyl etherOrganic chemistry224-TrimethylpentanePhysical and Theoretical ChemistryTernary operationFluid Phase Equilibria
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Effect of pressure and the capability of 2-methoxyethanol as a solvent in the behaviour of a diisopropyl ether–isopropyl alcohol azeotropic mixture

2007

Abstract Consistent vapour–liquid equilibrium data for the binary and ternary systems of diisopropyl ether + isopropyl alcohol at 30 and 101.3 kPa and diisopropyl ether + 2-methoxyethanol, isopropyl alcohol + 2-methoxyethanol and diisopropyl ether + isopropyl alcohol + 2-methoxyethanol at 101.3 kPa are reported. The activity coefficients of the solutions were correlated with its composition using the Wilson, NRTL and UNIQUAC models. It is shown that the models allow a very good prediction of the phase equilibrium of the ternary system using the pertinent parameters of the binary systems. Moreover, the effect of pressure and the entrainer capability of 2-methoxyethanol were studied.

Activity coefficientUNIQUACTernary numeral systemChemistryGeneral Chemical EngineeringGeneral Physics and AstronomyIsopropyl alcoholchemistry.chemical_compoundNon-random two-liquid modelPhysical chemistryOrganic chemistryDiisopropyl etherBinary systemPhysical and Theoretical ChemistryIsopropylFluid Phase Equilibria
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Isobaric Vapor−Liquid Equilibria for Binary and Ternary Mixtures of Diisopropyl Ether, 2-Propyl Alcohol, and 3-Methyl-1-Butanol

2008

Consistent vapor−liquid equilibrium data for the binary and ternary systems diisopropyl ether (1) + 2-propyl alcohol (2) + 3-methyl-1-butanol (3) are reported at 101.3 kPa. The diisopropyl ether (1) + 3-methyl-1-butanol (3) system shows positive deviations from ideal behavior, and the 2-propyl alcohol (2) + 3-methyl-1-butanol (3) system exhibits slight deviations from ideal behavior. The activity coefficients and the boiling points were correlated with their compositions by the Wilson, NRTL, UNIQUAC, and Wisniak−Tamir equations. It is shown that these models allow a very good prediction of the phase equilibria of the ternary system using the pertinent parameters of the binary systems. 3-Met…

Activity coefficientUNIQUACTernary numeral systemGeneral Chemical EngineeringButanolThermodynamicsGeneral Chemistrychemistry.chemical_compoundchemistryAzeotropeNon-random two-liquid modelOrganic chemistryDiisopropyl etherExtractive distillationJournal of Chemical & Engineering Data
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Phase equilibria in the systems 3-methylpentane + methylcyclohexane, diisopropyl ether + methylcyclohexane and 3-methylpentane + diisopropyl ether + …

2002

Abstract Consistent vapor–liquid equilibria (VLE) at 101.3 kPa has been determined for the ternary system 3-methylpentane+diisopropyl ether (DIPE)+methylcyclohexane and the binary subsystems 3-methylpentane+methylcyclohexane and DIPE+methylcyclohexane in the temperature range from 336 to 374 K. According to the experimental results, the systems exhibit slight positive deviation from ideal behavior and no azeotrope is present. The VLE data have been correlated with the composition using the Wilson, UNIQUAC and NRTL relations. These models allow good prediction of the VLE properties of the ternary system from those of the pertinent binary subsystems.

Activity coefficientUNIQUACTernary numeral systemGeneral Chemical EngineeringGeneral Physics and AstronomyThermodynamicschemistry.chemical_compoundchemistryAzeotropeNon-random two-liquid modelDiisopropyl etherPhysical and Theoretical ChemistryMethylcyclohexane3-MethylpentaneFluid Phase Equilibria
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