Artur Ratkiewicz
- E-mail:
- Phone:
- room:
- godziny konsultacji:
- artrat@uwb.edu.pl
- 85-738-8258
- 2020
- poniedziałek 10:00-11:00
- E-mail:artrat@uwb.edu.pl
- Phone:85-738-8258
- room:2020
- godziny konsultacji:poniedziałek 10:00-11:00
Areas of scientific activity:
- kinetics of elementary reactions
- application of symbolic algebra methods to the complex reaction networks
- organic computational chemistry
Publications
- Baradyn M., Ratkiewicz A. "On-The-Fly Kinetics of the Hydrogen Abstraction by Hydroperoxyl Radical: An Application of the Reaction Class Transition State Theory" Front. Chem. 2022, 9, 806873.
- Sokół A., Ratkiewicz A., Tomaszewska I., Karpińska J. "Kinetics and Mechanistic Studies of Photochemical and Oxidative Stability of Galaxolide" Water 2021, 13(13), 1813.
- Wróbel A., Baradyn M., Ratkiewicz A., Drozdowska D. "Synthesis, Biological Activity, and Molecular Dynamics Study of Novel Series of a Trimethoprim Analogs as Multi-Targeted Compounds: Dihydrofolate Reductase (DHFR) Inhibitors and DNA-Binding Agents" Int. J. Mol. Sci. 2021, 22(7), 3685.
- Baradyn M., Ratkiewicz A."Kinetics of the hydrogen abstraction alkane + O2 → alkyl + HO2 reaction class: an application of the reaction class transition state theory" Structural Chemistry2020, 31, 731–746.
- Baj A., Cedrowski J., Olchowik-Grabarek E., Ratkiewicz A., Witkowski S. "Synthesis, DFT Calculations, and In Vitro Antioxidant Study on Novel Carba-Analogs of Vitamin E" Antioxidants 2019, 8(12), 589.
- Karpinska J., Sokół A., Kołdys J., Ratkiewicz A. "Studies on the Kinetics of Doxazosin Degradation in Simulated Environmental Conditions and Selected Advanced Oxidation Processes" Water 2019, 11(5), 1001.
- Baradyn M., Ratkiewicz A."Kinetics of the Hydrogen Abstraction PAH + •OH → PAH Radical + H2O Reaction Class: An Application of the Reaction Class Transition State Theory (RC-TST) and Structure–Activity Relationship (SAR)" J. Phys. Chem. A 2019 DOI: 10.1021/acs.jpca.8b10988
- Mai T.V.-T., Ratkiewicz A., Le A., Duong M.V., Truong T.N., Huynh L.K. "On-the-fly kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by methyl/ethyl radicals" Physical Chemistry Chemical Physics 2018, 20(36), 23578-23592.
- Wałejko P., Dobrzycki Ł., Ratkiewicz A., Socha P., Witkowski S., Cyrański M.K."An X-ray and Natural Bond Orbital (NBO) structural study of α-tocopheryl and 2,2,5,7,8-pentamethylchroman-6-yl succinates" Journal of Saudi Chemical Society2018 DOI: https://doi.org/10.1016/j.jscs.2018.08.010
- Tylicki A., Lotowski Z., Siemieniuk M., Ratkiewicz A."Thiamine and selected thiamine antivitamins — biological activity and methods of synthesis" Bioscience Reports 2018, 38(1), BSR20171148.
- Wojtkielewicz A., Uścinowicz P., Siergiejczyk,L., Kiełczewska,U., Ratkiewicz A., Morzycki J. W. „The studies on the reaction of 16-dehydropregnenolone acetate with 2-aminobenzimidazole” Steroids 2017, 117, 71-76.
- Lazny, R., Ratkiewicz, A., Brzezinski, K., Nodzewska, A. and Sidorowicz, K. "An Investigation of the Enolization and Isomeric Products Distribution in the Water Promoted Aldol Reaction of Tropinone and Granatanone" Journal of Chemistry 2016, 1-15 DOI: 10.1155/2016/4674901
- Ratkiewicz A., Huynh L. K., Truong T. N. „Performance of First-Principles-Based Reaction Class Transition State Theory” Journal of Physical Chemistry B 2016, 120 (8), 1871–1884.
- Mai T.V.-T., Ratkiewicz A., Duong M., Huynh L. K. “Direct ab initio study of the C6H6 + CH3/C2H5= C6H5 + CH4/C2H6 reactions” Chemical Physics Letters 2016, 646, 102‑109.
- Sidorowicz K., Ratkiewicz A., Nodzewska A., Łaźny R. "Determination of the N-invertomer stereochemistry in N-substituted nortropanones and norgranatanones using computational and NMR methods”, Comptez Rendus Chimie2015, 18(6), 693-704.
- Le X.T., Mai T.V.T., Ratkiewicz A., Huynh L.K. “Mechanism and kinetics of low-temperature oxidation of a biodiesel surrogate: Methyl propanoate radicals with oxygen molecule” Journal of Physical Chemistry A 2015, 119(16), 3689–3703.
- Sidorowicz K.,Łaźny R., Nodzewska A., Wołosewicz K., Ratkiewicz A., Urbanczyk-Lipkowska Z., Kalicki P. “Isomerisationand configurational assignment of 2-alkyltropane and 2-alkylgranatane derivedhydrazones” Tetrahedron 2015, 71(32), 5148–5158.
- Mai, T. V.-T., Duong,M., Le, X. T., Huynh, L. K., Ratkiewicz, A. “Direct ab-initio Dynamics Calculations of Thermal Rate Constants for the CH4 + O2 -> CH3 + HO2 reaction”, Structural Chemistry 2014, 259(5), 1495-1503.
- Ratkiewicz, A. “First Principles Kinetics of Alkyl Radicals – An Application of the RC-TST Method”, Chemik 2014, 68(5), 453-458.
- Łaźny, R., Wołosewicz, K., Ratkiewicz, A., Pióro, D., Stocki, M. „Synthesis and isomer distribution of 2-alkyltropinones and 2-alkylgranatanones”, Tetrahedron 2014, 70(3), 597-607.
- Ratkiewicz, A. „First Principles Kinetics Of n-Octyl Radicals”, Progress In Reaction Kinetics And Mechanism 2013, 38(4), 323-341.
- Ratkiewicz, A. “Kinetics of 1,6-Hydrogen Migration in Alkyl Radical Reaction Class”, Reaction Kinetics, Mechanisms and Catalysis 2013, 108, 545-564.
- Ratkiewicz, A., Huynh, L. K., Pham, Q. B., Truong, T. N. “Kinetics of the Hydrogen Abstraction •C2H5 + Alkane → C2H6 + Alkyl Reaction Class: An Application of the Reaction Class Transition State Theory”, Theoretical Chemistry Accounts 2013, 132(3), 1-17.
- Łaźny,R., Ratkiewicz, A., Nodzewska, A.Wysocka, J. “A DFT study of the origins of the stereoselectivity in the aldol reaction of bicyclic amino ketones in the presence of water” Tetrahedron Letters 2012, 55, 5871-5874.
- Łaźny, R., Ratkiewicz, A., Nodzewska, A., Wynimko, A., Siergiejczyk, L. “Determination of the N-methyl stereochemistry in tropane and granatane derivatives in solution: a computational and NMR spectroscopic study” Tetrahedron 2012, 68, 6158.
- Ratkiewicz, A., Truong, T. N. “Kinetics of the C-C Bond Beta Scission Reactions in Alkyl Radical Reaction Class” Journal of Physical Chemistry A 2012, 116, 6643–6654.
- Ratkiewicz, A., Truong, T. N. “A canonical form of the complex reaction mechanism” Energy 43, 64-72 (2012)
- Ratkiewicz, A., Bankiewicz, B. “Kinetics of 1,5-Hydrogen Migration in the Alkyl Radical Reaction Class” Journal of Physical Chemistry A 2012, 116, 242-254.
- Ratkiewicz, A. “Kinetics of the C-C bond beta scission reactions in alkyl radicals” Physical Chemistry Chemical Physics 2011, 13, 15037-15046.
- Ratkiewicz, A., Bieniewska, J., Truong, T. N. “Abstraction R-OH + H → R⋅-OH + H2 Reaction Class: An Application of the Reaction Class Transition State Theory” International Journal of Chemical Kinetics 2011, 43(2), 78-98.
- Ratkiewicz, A., Truong, T. N. “Kinetics of the hydrogen abstraction R−OH + H → R−O•+ H2 reaction class”, International Journal of Chemical Kinetics 2010, 42, 414-429.
- Ratkiewicz, A., Bankiewicz, B., Truong, T. N. “Kinetics of thermoneutral intramolecular hydrogen migration in alkyl radicals” Physical Chemistry Chemical Physics 2010, 12, 10988-10995.
- Ratkiewicz, A., “A generic interface between automated mechanism generator and quantum chemistry based tools for obtaining rates constants” COST Action CM901: Detailed Chemical Kinetic Models for Cleaner Combustion: 1st Annual meeting 15,16 & 17 September 2010 ENSIC, Nancy, Book of Abstracts 28-29
- Bankiewicz, B., Huynh, L. K., Ratkiewicz, A., Truong, T. N “Kinetics of 1,4-Hydrogen Migration in the Alkyl Radical Reaction Class” Journal of Physical Chemistry A 2009, 113, 1564-1573.
- Muszyńska, M., Ratkiewicz, A., Huynh, L. K., Truong, T. N. “Kinetics of the Hydrogen Abstraction C2H3 + Alkane -> C2H4 + Alkyl Radical Reaction Class” Journal of Physical Chemistry A 2009, 113, 8327-8336.
- L. K. Huynh, S. Panasewicz, A. Ratkiewicz, T.N. Truong “Ab Initio Study on the Kinetics of Hydrogen Abstraction for the H + Alkene → H2 + Alkenyl Reaction Class” Journal of Physical Chemistry A 2007, 111(11); 2156-2165.
- L. K. Huynh, A. Ratkiewicz, T. N. Truong “Kinetics of the Hydrogen Abstraction OH + Alkane → H2O + Alkyl Reaction Class: An Application of the Reaction Class Transition State Theory”, Journal of Physical Chemistry A 2006, 110(2); 473-484.
- Ratkiewicz A., Truong T. N. “Automated mechanism generation: From symbolic calculation to complex chemistry” International Journal of Quantum Chemistry 2006, 106, 244-255.
- Ratkiewicz A., Truong T.N. Applications of chemical graph theory for automated mechanism generation. J.Chem.Inf. & Computer Sci. 2003, 43: 36-44.
- Ratkiewicz A., Niedzielski J., Turulski J., “Effect of a homonuclear molecule on the rate of ion capture”, Chem.Phys.2001 263, 317-325.
- Ratkiewicz A., Niedzielski J., Turulski J., “Isotope effects in the ion/molecule capture”, Int.J.Mass Spectrom. Ion Processes 1999, 184, 75-81.
- Pezler B., Niedzielski J., Ratkiewicz A., Turulski J., Temperature dependence of the charge-linear dipole capture rate constant CHEM PHYS 1997, 222, 215-221
- Ratkiewicz A., Turulski J., Niedzielski J., “Non-adiabatic effects in the reactions of strongly polar ions with molecule” J.Chem.Soc. Faraday Trans., 1996, 92, 4155-4158,
- Ratkiewicz A., Niedzielski J., Turulski J., “Non-adiabatic Effects in Ion-Molecule Reactions” INT J MASS SPECTROM ION PROC 1995, 142(1-2), 31-39
- Ratkiewicz A., Turulski J., Niedzielski J., “Non-adiabatic effects in ion/ molecule reactions” Int. J. Mass Spectrom. Ion Processes, 1995, 139, 155-162.
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