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- Publications
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The prediction of Raman spectra of platinum(II) anticancer drugs by density functional theory
- D. Michalska, R. Wysokiński
- Chemistry
- 14 February 2005
We present the method of theoretical calculations of the Raman intensities and the simulated Raman spectra of platinum(II) complexes. Theoretical Raman spectra of the anticancer agents: cisplatin… Expand
Electronic structure, Raman and infrared spectra, and vibrational assignment of carboplatin. Density functional theory studies † † The authors dedicate this paper to Professor Henryk Chojnacki on the…
- R. Wysokiński, J. Kuduk-Jaworska, D. Michalska
- Chemistry
- 31 January 2006
Mechanisms enabling link-budget-limited (LBL) devices to more effectively perform random access may include: (1) broadcasting a Physical Random Access Channel (PRACH) configuration index (PCI)… Expand
Raman and infrared spectroscopy, DFT calculations, and vibrational assignment of the anticancer agent picoplatin: performance of long-range corrected/hybrid functionals for a platinum(II) complex.
- Magdalena Malik, R. Wysokiński, W. Zierkiewicz, K. Helios, D. Michalska
- Chemistry, Medicine
- The journal of physical chemistry. A
- 12 August 2014
Picoplatin, cis-[PtCl2(NH3)(2-picoline)], is a new promising anticancer agent undergoing clinical trials, which reveals high efficacy against many tumors and greatly reduced toxicity, in comparison… Expand
Synthesis, structure and properties of [Zn(L-Tyr)₂(bpy)]₂⋅3H₂O·CH₃OH complex: theoretical, spectroscopic and microbiological studies.
- A. Wojciechowska, A. Gągor, R. Wysokiński, A. Trusz-Zdybek
- Chemistry, Medicine
- Journal of inorganic biochemistry
- 1 December 2012
The mixed ligand zinc(II) ion complex of the formula [Zn(l-Tyr)(2)(bpy)](2)·3H(2)O·CH(3)OH (1), where L-Tyr and bpy are moieties of L-tyrosine and 2,2'-bipyridine (2,2'-bpy), has been isolated in a… Expand
Vibrational spectra and reinvestigation of the crystal structure of a polymeric copper(II)–orotate complex, [Cu(μ-HOr)(H2O)2]n: The performance of new DFT methods, M06 and M05-2X, in theoretical…
- K. Helios, R. Wysokiński, A. Pietraszko, D. Michalska
- Chemistry
- 1 March 2011
Abstract The crystal and molecular structure of a polymeric Cu(II)–orotate complex, [Cu(μ-HOr)(H 2 O) 2 ] n , has been reinvestigated by single crystal X-ray diffraction. It is shown that several… Expand
Density functional study on the molecular structure, infrared and Raman spectra, and vibrational assignment for 4-thiocarbamoylpyridine
- R. Wysokiński, D. Michalska, D. Bienko, S. Ilakiamani, N. Sundaraganesan, K. Ramalingam
- Chemistry
- 19 June 2006
Thiocarbamoylpyridine is the parent compound of ethionamide. It is an important and efficacious drug in the treatment of multidrug-resistant tuberculosis. The molecular structure, natural atomic… Expand
Electronic structure and vibrational spectra of cis-diammine(orotato)platinum(II), a potential cisplatin analogue: DFT and experimental study
- R. Wysokiński, Katarzyna Hernik, R. Szostak, D. Michalska
- Chemistry
- 6 March 2007
Orotic acid (vitamin B13) is a key intermediate in biosynthesis of the pyrimidine nucleotides in living organisms, moreover, it may serve as the biological carrier for some metal ions.… Expand
Molecular Structure and Bonding in Platinum-Picoline Anticancer Complex: Density Functional Study
- D. Michalska, R. Wysokiński
- Chemistry
- 2004
Density functional study has been performed for a new anticancer agent, cis -[PtCl 2 (NH 3 )(2-picoline)] ( 1 ), AMD473, now clinically tested. The molecular structure, natural charges, orbital… Expand
Unusual noncovalent interaction between the chelated Cu(II) ion and the pi bond in the vitamin B(13) complex, cis-diammine(orotato)copper(II): theoretical and vibrational spectroscopy studies.
- K. Helios, R. Wysokiński, W. Zierkiewicz, L. Proniewicz, D. Michalska
- Chemistry, Medicine
- The journal of physical chemistry. B
- 19 May 2009
The crystal structure of the Cu(II) complex with Vitamin B(13) (orotic acid), cis-[Cu(oro)(NH(3))(2)] has revealed the presence of unusual, noncovalent pi-type interaction between the chelated Cu(II)… Expand
Theoretical Studies of IR and NMR Spectral Changes Induced by Sigma-Hole Hydrogen, Halogen, Chalcogen, Pnicogen, and Tetrel Bonds in a Model Protein Environment
- M. Michalczyk, W. Zierkiewicz, R. Wysokiński, S. Scheiner
- Chemistry, Medicine
- Molecules
- 1 September 2019
Various types of σ-hole bond complexes were formed with FX, HFY, H2FZ, and H3FT (X = Cl, Br, I; Y = S, Se, Te; Z = P, As, Sb; T = Si, Ge, Sn) as Lewis acid. In order to examine their interactions… Expand