title: New Look on 3-Hydroxyiminoflavanone and Its Palladium(II) Complex: Crystallographic and Spectroscopic Studies, Theoretical Calculations and Cytotoxic Activity.
abstract: This work presents the synthesis, spectroscopic properties and single-crystal X-ray examination of the structure of 3-hydroxyiminoflavanone and its palladium complex. It presents the results of NMR (Nuclear Magnetic Resonance) spectroscopy, electron-density studies based on X-ray wavefunction refinement and theoretical calculations combined with QTAIM (Quantum Theory of Atoms in Molecules) and ELI-D (Electron Localizability Indicator) analyses. These offer an interesting new insight into the structures and behavior of flavanone and its complex, in solid state and in solution. The study also examines the cytotoxicity of the ligand and its complex against three human ovarian and lung cancer cell lines.
authors.affiliation: Department of Bioinorganic Chemistry, Medical University of Lodz, ul. Muszynskiego 1, 90-151 Lodz, Poland. maria.kasprzak@umed.lodz.pl.
authors.forename: Maria
authors.initials: M
authors.lastname: Kasprzak
authors.affiliation: Department of Bioinorganic Chemistry, Medical University of Lodz, ul. Muszynskiego 1, 90-151 Lodz, Poland. malgorzata.fabijanska@umed.lodz.pl.
authors.forename: Małgorzata
authors.initials: M
authors.lastname: Fabijańska
authors.affiliation: Department of Theoretical and Structural Chemistry, Faculty of Chemistry, University of Lodz, Pomorska 163/165, 90-236 Lodz, Poland. lilach@uni.lodz.pl.
authors.forename: Lilianna
authors.initials: L
authors.lastname: Chęcińska
authors.affiliation: Department of Nucleic Acids Biochemistry, Medical University of Lodz, ul. Pomorska 251, 92-213 Lodz, Poland. leszek.szmigiero@umed.lodz.pl.
authors.forename: Leszek
authors.initials: L
authors.lastname: Szmigiero
authors.affiliation: Department of Bioinorganic Chemistry, Medical University of Lodz, ul. Muszynskiego 1, 90-151 Lodz, Poland. justyn.ochocki@umed.lodz.pl.
authors.forename: Justyn
authors.initials: J
authors.lastname: Ochocki
mesh_terms: D045744:Cell Line, Tumor; D049109:Cell Proliferation / Q000187:drug effects*; D018360:Crystallography, X-Ray; D044950:Flavanones / Q000737:chemistry* / Q000627:therapeutic use; D006801:Humans; D009682:Magnetic Resonance Spectroscopy; D009369:Neoplasms / Q000188:drug therapy; D010091:Oximes / Q000737:chemistry* / Q000627:therapeutic use; D010165:Palladium / Q000737:chemistry*; D011789:Quantum Theory
chemical_list: D044950:Flavanones; D010091:Oximes; D010165:Palladium
keywords: 3-hydroxyiminoflavanone; NMR spectroscopy; X-ray crystallography; X-ray wavefunction refinement; cytotoxicity; palladium(II) complex