0000000000211465

AUTHOR

Simone D'agostino

showing 4 related works from this author

Nanowire iron(III) coordination polymer based on 1,2,4-triazolo[1,5-a]pyrimidine and chloride ligands

2019

Abstract The neutral ligand 1,2,4-triazolo[1,5-a]pyrimidine (tp) has been employed to prepare a new coordination compound of Fe(III), [FeCl3(tp)2]n (1). Compound 1 was investigated by single crystal X-ray diffraction and found to be a coordination polymer forming a ladder structure based on metal–ligand interactions, while H-bonding and aromatic interactions contribute to the supramolecular self-assembly into a 3D nanostructured material. The polymeric assembly is retained also in solution, where a metallo-supramolecular polymer based on coordinative metal–ligand binding is present, as shown by dynamic light scattering (DLS) measurements. The redox properties of the Fe(III) coordination pol…

Cyclic voltammetryCoordination polymer124-Triazolo[15-a]pyrimidineSupramolecular chemistry010402 general chemistry01 natural sciencesCoordination complexInorganic Chemistrychemistry.chemical_compoundDynamic light scatteringSolid state structureMaterials ChemistryPhysical and Theoretical Chemistrychemistry.chemical_classification010405 organic chemistryLigandSelf-assemblyPolymer0104 chemical sciencesCrystallographyScanning probe microscopychemistrySettore CHIM/03 - Chimica Generale E Inorganica124-Triazolo[15-a]pyrimidine Solid state structure Cyclic voltammetry Self-assembly Scanning probe microscopySelf-assemblySingle crystalPolyhedron
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Designing Solid Solutions of Enantiomers: Lack of Enantioselectivity of Chiral Naphthalimide Derivatives in the Solid State

2017

The enantiomers of a previously reported naphthalimide derivative are shown in this study to form a solid solution; furthermore, on the basis of the knowledge of solid solution structural aspects other naphthalimide derivatives have been synthesized and shown to lack the enantioselectivity in the solid state. The structural origin of solid solution formation is the same as observed in most of the cases in the literaturequasi-centrosymmetric structures form at nonracemic compositions where the most abundant enantiomer adjusts its conformation to mimic the absent one. Such solid solutions belong to the type showing some enantioselectivity. An extended single crystal X-ray diffraction study o…

ChemistryIntermolecular forceSolid-statechirality02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciences0104 chemical sciencessolid solutionsComputational chemistrycrystal engineerigOrganic chemistryGeneral Materials ScienceDensity functional theoryEnantiomerIsostructural0210 nano-technologyChirality (chemistry)Single crystalSolid solution
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Cytotoxic Activity of Organotin(IV) Derivatives with Triazolopyrimidine Containing Exocyclic Oxygen Atoms

2020

In this study cytotoxicity of organotin(IV) compounds with 1,2,4-triazolo[1,5-a]pyrimidines, Me3Sn(5tpO) (1), n-Bu3Sn(5tpO) (2), Me3Sn(mtpO) (3), n-Bu3Sn(mtpO) (4), n-Bu3Sn(HtpO2) (5), Ph3Sn(HtpO2) (6) where 5HtpO = 4,5-dihydro-5-oxo-[1,2,4]triazolo-[1,5-a]pyrimidine, HmtpO = 4,7-dihydro-5-methyl-7-oxo-[1,2,4]triazolo-[1,5-a]pyrimidine, and H2tpO2 = 4,5,6,7-tetrahydro-5,7- dioxo-[1,2,4]triazolo-[1,5-a]-pyrimidine, was assessed on three different human tumor cell lines: HCT-116 (colorectal carcinoma), HepG2 (hepatocarcinoma) and MCF-7 (breast cancer). While 1 and 3 were inactive, compounds 2, 4, 5 and 6 inhibited the growth of the three tumor cell lines with IC50 values in the submicromolar …

DenticityCellPharmaceutical Science01 natural sciencesAnalytical Chemistrychemistry.chemical_compoundDrug DiscoveryOrganotin CompoundstriazolopyrimidineCytotoxicityMembrane Potential MitochondrialCytotoxinsapoptosisBiological activityHep G2 CellsG2 Phase Cell Cycle CheckpointsGene Expression Regulation Neoplasticmedicine.anatomical_structureChemistry (miscellaneous)Mitochondrial MembranesMCF-7 CellsMolecular MedicineCyclin-Dependent Kinase Inhibitor p21crystal structurein vitro anticancer activityPyrimidineCell SurvivalStereochemistryorganotin(iv)010402 general chemistryArticlelcsh:QD241-441Inhibitory Concentration 50Structure-Activity Relationshiplcsh:Organic chemistrymedicineHumansPhysical and Theoretical ChemistryMetallodrug010405 organic chemistryLigandOrganic ChemistryTriazolesHCT116 CellsapoptosiG1 Phase Cell Cycle Checkpoints0104 chemical sciencesPyrimidineschemistrymetallodrugsCell cultureApoptosisDrug DesignTumor Suppressor Protein p53Reactive Oxygen SpeciesMolecules
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CCDC 1830492: Experimental Crystal Structure Determination

2019

Related Article: Piera Sabatino, Simone D'Agostino, Jacopo Isopi, Simona Rubino, Massimo Marcaccio, Maria Assunta Girasolo|2019|Polyhedron|162|45|doi:10.1016/j.poly.2019.01.049

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-(bis(mu-[124]triazolo[15-a]pyrimidine)-trichloro-iron)Experimental 3D Coordinates
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