0000000000971001

AUTHOR

Martin Novák

showing 10 related works from this author

Anion Recognition by a Bioactive Diureidodecalin Anionophore: Solid-State, Solution, and Computational Studies

2018

Recent work has identified a bis-(p-nitrophenyl)ureidodecalin anion carrier as a promising candidate for biomedical applications, showing good activity for chloride transport in cells yet almost no cytotoxicity. To underpin further development of this and related compounds, a detailed structural and binding investigation is reported. Crystal structures of the transporter as five solvates confirm the diaxial positioning of urea groups while revealing a degree of conformational flexibility. Structures of complexes with Cl−, Br−, NO3 −, SO4 2− and AcO−, supported by computational studies, show how the binding site can adapt to accommodate these anions. 1H NMR binding studies revealed exception…

Anionsinorganic chemicalsMagnetic Resonance SpectroscopyAnion ReceptorsMolecular Conformationreceptorsanion recognitionCrystal structureCrystallography X-Ray010402 general chemistry01 natural sciencesChlorideCatalysisNitrophenolsComputers MolecularPhysico-chimie généraleChloridesChimie des colloïdesTheoryofComputation_ANALYSISOFALGORITHMSANDPROBLEMCOMPLEXITYmedicineUreaChimieMoleculehost–guest interactionsBinding siteta116Binding SitesFull Paper010405 organic chemistryChemistryHydrogen bondOrganic ChemistryChimie des surfaces et des interfacesGeneral ChemistryFull PapersAffinities0104 chemical sciences3. Good healthChimie organiqueCrystallographyhydrogen bondssolid-state structuresProton NMRSelectivityanionsmedicine.drugChemistry - A European Journal
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CCDC 1818063: Experimental Crystal Structure Determination

2018

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

Space GroupCrystallographyethyl 27-bis{[(4-nitrophenyl)carbamoyl]amino}octahydronaphthalene-4a(2H)-carboxylate monohydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1817835: Experimental Crystal Structure Determination

2018

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(tetramethylammonium) bis(ethyl 27-bis{[(4-nitrophenyl)carbamoyl]amino}octahydronaphthalene-4a(2H)-carboxylate) sulfate dihydrateExperimental 3D Coordinates
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CCDC 1817833: Experimental Crystal Structure Determination

2018

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

Space GroupCrystallographyCrystal SystemCrystal Structuretetramethylammonium ethyl 27-bis{[(4-nitrophenyl)carbamoyl]amino}octahydronaphthalene-4a(2H)-carboxylate acetate hemihydrateCell ParametersExperimental 3D Coordinates
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CCDC 1817831: Experimental Crystal Structure Determination

2018

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

ethyl 27-bis{[(4-nitrophenyl)carbamoyl]amino}octahydronaphthalene-4a(2H)-carboxylate tetrahydrofuran solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1817830: Experimental Crystal Structure Determination

2018

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatesethyl 27-bis{[(4-nitrophenyl)carbamoyl]amino}octahydronaphthalene-4a(2H)-carboxylate acetone solvate
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CCDC 1817834: Experimental Crystal Structure Determination

2018

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterstetramethylammonium ethyl 27-bis{[(4-nitrophenyl)carbamoyl]amino}octahydronaphthalene-4a(2H)-carboxylate nitrateExperimental 3D Coordinates
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CCDC 1817832: Experimental Crystal Structure Determination

2018

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

Space GroupCrystallographyethyl 27-bis{[(4-nitrophenyl)carbamoyl]amino}octahydronaphthalene-4a(2H)-carboxylate dimethyl sulfoxide solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1586249: Experimental Crystal Structure Determination

2018

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

Space GroupCrystallographyCrystal SystemCrystal Structureethyl 27-bis{[(4-nitrophenyl)carbamoyl]amino}octahydronaphthalene-4a(2H)-carboxylate methanol solvate hydrateCell ParametersExperimental 3D Coordinates
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CCDC 1586251: Experimental Crystal Structure Determination

2018

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatestetramethylammonium bromide ethyl 27-bis{[(4-nitrophenyl)carbamoyl]amino}octahydronaphthalene-4a(2H)-carboxylate
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