New Look on 3-Hydroxyiminoflavanone and Its Palladium(II) Complex: Crystallographic and Spectroscopic Studies, Theoretical Calculations and Cytotoxic Activity
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 refine...
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| Format: | Article |
| Language: | English |
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MDPI AG
2016-04-01
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| Series: | Molecules |
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| Online Access: | http://www.mdpi.com/1420-3049/21/4/455 |
| _version_ | 1831804205513310208 |
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| author | Maria Kasprzak Małgorzata Fabijańska Lilianna Chęcińska Leszek Szmigiero Justyn Ochocki |
| author_facet | Maria Kasprzak Małgorzata Fabijańska Lilianna Chęcińska Leszek Szmigiero Justyn Ochocki |
| author_sort | Maria Kasprzak |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-22T19:02:08Z |
| format | Article |
| id | doaj.art-ba60fde676464d499f4cddb3105d6b11 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-12-22T19:02:08Z |
| publishDate | 2016-04-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-ba60fde676464d499f4cddb3105d6b112022-12-21T18:15:54ZengMDPI AGMolecules1420-30492016-04-0121445510.3390/molecules21040455molecules21040455New Look on 3-Hydroxyiminoflavanone and Its Palladium(II) Complex: Crystallographic and Spectroscopic Studies, Theoretical Calculations and Cytotoxic ActivityMaria Kasprzak0Małgorzata Fabijańska1Lilianna Chęcińska2Leszek Szmigiero3Justyn Ochocki4Department of Bioinorganic Chemistry, Medical University of Lodz, ul. Muszynskiego 1, 90-151 Lodz, PolandDepartment of Bioinorganic Chemistry, Medical University of Lodz, ul. Muszynskiego 1, 90-151 Lodz, PolandDepartment of Theoretical and Structural Chemistry, Faculty of Chemistry, University of Lodz, Pomorska 163/165, 90-236 Lodz, PolandDepartment of Nucleic Acids Biochemistry, Medical University of Lodz, ul. Pomorska 251, 92-213 Lodz, PolandDepartment of Bioinorganic Chemistry, Medical University of Lodz, ul. Muszynskiego 1, 90-151 Lodz, PolandThis 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.http://www.mdpi.com/1420-3049/21/4/455palladium(II) complex3-hydroxyiminoflavanoneNMR spectroscopyX-ray crystallographyX-ray wavefunction refinementcytotoxicity |
| spellingShingle | Maria Kasprzak Małgorzata Fabijańska Lilianna Chęcińska Leszek Szmigiero Justyn Ochocki New Look on 3-Hydroxyiminoflavanone and Its Palladium(II) Complex: Crystallographic and Spectroscopic Studies, Theoretical Calculations and Cytotoxic Activity Molecules palladium(II) complex 3-hydroxyiminoflavanone NMR spectroscopy X-ray crystallography X-ray wavefunction refinement cytotoxicity |
| title | New Look on 3-Hydroxyiminoflavanone and Its Palladium(II) Complex: Crystallographic and Spectroscopic Studies, Theoretical Calculations and Cytotoxic Activity |
| title_full | New Look on 3-Hydroxyiminoflavanone and Its Palladium(II) Complex: Crystallographic and Spectroscopic Studies, Theoretical Calculations and Cytotoxic Activity |
| title_fullStr | New Look on 3-Hydroxyiminoflavanone and Its Palladium(II) Complex: Crystallographic and Spectroscopic Studies, Theoretical Calculations and Cytotoxic Activity |
| title_full_unstemmed | New Look on 3-Hydroxyiminoflavanone and Its Palladium(II) Complex: Crystallographic and Spectroscopic Studies, Theoretical Calculations and Cytotoxic Activity |
| title_short | New Look on 3-Hydroxyiminoflavanone and Its Palladium(II) Complex: Crystallographic and Spectroscopic Studies, Theoretical Calculations and Cytotoxic Activity |
| title_sort | new look on 3 hydroxyiminoflavanone and its palladium ii complex crystallographic and spectroscopic studies theoretical calculations and cytotoxic activity |
| topic | palladium(II) complex 3-hydroxyiminoflavanone NMR spectroscopy X-ray crystallography X-ray wavefunction refinement cytotoxicity |
| url | http://www.mdpi.com/1420-3049/21/4/455 |
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