Małgorzata Witko

P. Niemiec, R. Tokarz-Sobieraj, M. Witko, Tungsten and Molybdenum Heteropolyanions with Different Central Ions—Correlation between Theory and Experiment, Molecules 27 (2022-01-01) 187.

A. Wrzesinska, A. Khort, M. Witkowski, J. Szczytko, J. Ryl, J. Gurgul, D. Kharitonov, K. Latka, T. Szumiata, A. Wypych-Puszkarz, Structural, electrical and magnetic study of La-, Eu- and Er-doped bismuth ferrite nanomaterials obtained by solution combustion synthesis, Scientific Reports 11 (2021-01-01) 22746.

S. Skibinski, E. Cichon, K. Harazna, E. Marcello, I. Roy, M. Witko, A. Slosarczyk, J. Czechowska, M. Guzik, A. Zima, Functionalized tricalcium phosphate and poly (3-hydroxyoctanoate) derived composite scaffolds as platforms for the controlled release of diclofenac, Ceramics International Elsevier 47 (2021-01-01) 3876--3883.

K. Harażna, E. Cichoń, Sz. Skibiński, T. Witko, D. Solarz, I. Kwiecień, E. Marcello, M. Zimowska, R. Socha, E. Szefer, A. Zima, I. Roy, K.N. Raftopoulos, K. Pielichowski, M. Witko, M. Guzik, Physicochemical and Biological Characterisation of Diclofenac Oligomeric Poly(3-hydroxyoctanoate) Hybrids as _-TCP Ceramics Modifiers for Bone, Tissue Regeneration, Int. J. Mol. Sci. MDPI 21 (2020-01-01) 9452, doi:10.3390/ijms21249452.

A. Drzewiecka-Matuszek, R. Tokarz-Sobieraj, M. Witko, D. Rutkowska-Zbik, Comparison of Catalytic Properties of Vanadium Centers Introduced Into BEA Zeolite and Present on (010) V2O5 Surface–DFT Studies, Catalysts 10 (2020-01-01) 1080.

K. Sofińska, J. Barbasz, T. Witko, J. Dryzek, K. Harażna, M. Witko, J. Kryściak‐Czerwenka, M. Guzik, Structural, topographical, and mechanical characteristics of purified polyhydroxyoctanoate polymer, J. Appl. Pol. Sci. 1364 (2019-01-01) 47192.

V. Cortes Corberan, D. Rutkowska-Zbik, M. Witko, 8th WCOC – Oxidation processes: challenges and solutions, Catal. Today 333 (2019-01-01) 1.

K. Harażna, K. Walas, P. Urbańska, T. Witko, W. Snoch, A. Siemek, B. Jachimska, M. Krzan, B. Daria Napruszewska, M. Witko, S. Bednarz, M. Guzik, Polyhydroxyalkanoate-derived hydrogen-bond donors for the synthesis of new deep eutectic solvents, Green Chem. Royal Society of Chemistry (2019-01-01) 1463-9262.

E. Cichoń, K. Harażna, S. Skibiński, T. Witko, A. Zima, A. Ślusarczyk, M. Zimowska, M. Witko, B. Leszczyński, A. Wróbel, M. Guzik, Novel bioresorbable tricalcium phosphate/polyhydroxyoctanoate (TCP/PHO) composites as scaffolds for bone tissue engineering applications, Journal of the mechanical behavior of biomedical materials 98 (2019-01-01) 235-245.

K. Harażna, L. Szyk-Warszyńska, M. Witko, M. Guzik, Preparation, characterisation and modification of bacterial polyhydroxyoctanoate for construction of wound patches, Modern polymeric materials for environmental applications Wydawnictwo Politechniki Krakowskiej (2019-01-01) 139-151.

K. Harażna, M. Witko, A. J. Bojarski, M. Guzik, Polimery do zastosowań medycznych – polihydroksyalkaniany (PHA), Zeszyty naukowe towarzystwa doktorantów UJ Wydawnictwo Uniwersytetu Jagiellońskiego (2018-01-01) 38-39.

R. Karcz, P. Niemiec, K. Pamin, J. Połtowicz, J. Kryściak-Czerwenka, B. Daria Napruszewska, A. Michalik-Zym, M. Witko, R. Tokarz-Sobieraj, E. M. Serwicka, Effect of cobalt location in Keggin-type heteropoly catalysts on aerobic oxidation of cyclooctane: Experimental and theoretical study, Applied Catalysis A: General 542 (2017-01-01) 317-326.

Ł. Orzeł, J. Waś, A. Kania, A. Susz, D. Rutkowska-Zbik, J. Staroń, M. Witko, G. Stochel, L. Fiedor, Factors controlling the reactivity of divalent metal ions towards pheophytin a, J. Biol. Inorg. Chem. 22 (2017-01-01) 941-952.

E. Lalik, A. Drelinkiewicz, R. Kosydar, R. Tokarz-Sobieraj, M. Witko, T. Szumełda, J. Gurgul, D. Duraczyńska, A role of Au-content in performance of Pd-Au/SiO2 and Pd-Au/Al2O3 catalyst in the hydrogen and oxygen recombination reaction. The microcalorimetric and DFT studies, Appl. Catal. A-Gen. 517 (2016-01-01) 196-210.

R. Tokarz-Sobieraj, R. Grybos, U. Filek, A. Micek-Ilnicka, P. Niemiec, A. Kirpsza, M. Witko, Generation of acidic sites in Al, Ga, in salts of molybdenum and tungsten Keggin-type heteropolyacids. DFT modeling and catalytic tests, Catalysis Today Elsevier 257 (2015-01-01) 72-79.

A. Dudzik, W. Snoch, P. Borowiecki, J. Opalinska-Piskorz, M. Witko, J. Heider, M. Szaleniec, Asymmetric reduction of ketones and β-keto esters by (S)-1-phenylethanol dehydrogenase from denitrifying bacterium Aromatoleum aromaticum, App. Microbiol. Biotechnol. 99 (2015-01-01) 5055-5069.

D. Rutkowska-Zbik, R. Tokarz-Sobieraj, M. Witko, Understanding the Mechanisms of Gas-to-Liquid Processes with an Aid of Quantum Chemistry Tools: Case Studies of Shilov Reaction and Natural Gas Aromatization, In: N. Kanellopoulos, G. Marin, G. Centi, J. Thybaut (Eds.), “Small-Scale Gas to Liquid Fuel Synthesis” CRC Press Taylor & Francis GroupBoca Raton FL (2015-01-01) 391-416.

E. Lalik, R. Kosydar, R. Tokarz–Sobieraj, M. Witko, T. Szumełda, M. Kołodziej, W. Rojek, T. Machej, A. Drelinkiewicz, Humidity induced deactivation of Al2O3 and SiO2 supported Pd, Pt, Pd-Pt catalysts in H2 + O2 recombination reaction: the catalytic, microcalorimetric and DFT studies, Appl. Catal. A 501 (2015-01-01) 27-40.

D. Rutkowska-Zbik, A. Drzewiecka-Matuszek, M. Witko, The Influence of Structural Parameters on the Reactivity of Model Complexes for Compound II: A Mini Review, Top. Catal. 57 (2014-01-01) 946-952.

M. Szaleniec, A. Dudzik, B. Kozik, T. Borowski, J. Heider, M. Witko,, Mechanistic basis for the Enantioselectivity of the Anaerobic Hydroxylation of Alkylaromatic compounds by Ethylbenzene Dehydrogenase, J. Inorg. Biochem. 139 (2014-01-01) 9–20.

M. Oszajca, A. Drzewiecka-Matuszek, A. Franke, D. Rutkowska-Zbik, M. Brindell, M. Witko, G. Stochel, R. van Eldik, Mechanistic Insight into Peroxo-Shunt Formation of Biomimetic Models for Compound II, their Reactivity toward Organic Substrates and the Influence of N-methylimidazole Axial Ligation, Chem. Eur. J. 20 (2014-01-01) 2328–2343.

D. Rutkowska-Zbik, M. Witko, Metallobacteriochlorophylls as Potential Dual Agents for Photodynamic Therapy and Chemotherapy, J. Mol. Model. 19 (2013-01-01) 4155-4161.

A. Dudzik, B. Kozik, M. Tataruch, A. Wójcik, D. Knack, T. Borowski, J. Heider, M. Witko, M. Szaleniec, The reaction mechanism of chiral hydroxylation of p-OH and p-NH2 substituted compounds by ethylbenzene dehydrogenase, Can. J. Chem. 91 (2013-01-01) 775-786.

A. Drzewiecka-Matuszek, D. Rutkowska-Zbik, M. Witko, Hydrogen Peroxide as Oxidant in Bio-mimetic Catalysis by Manganese Porphyrin. Theoretical DFT Studies, Can. J. Chem. 91 (2013-01-01) 642-647.

M. Szaleniec, A. Drzewiecka-Matuszek, M. Witko, P. Hejduk, Ammonium adsorption on Brønsted acidic centers, J. Mol. Model. 19 (2013-01-01) 4487–4501.

D. Rutkowska-Żbik, M. Witko, L. Fiedor, Ligation of water to magnesium chelates of biological importance, J. Mol. Model. 19 (2013-01-01) 4661-4667.

M. Szaleniec, A. Salwiński, T. Borowski, J. Heider, M. Witko, Quantum chemical modeling studies of ethylbenzene dehydrogenase activity, Int. J. Quant. Chem. 112 (2012-01-01) 1990–1999.

D. Duraczyńska, E. M. Serwicka, A. Drelinkiewicz, D. Rutkowska- Żbik, M. Witko, R. Socha, M. Zimowska, Z. Olejniczak, Architecture of a mesoporous support - A key factor controlling catalytic activity of supported ruthenium (II) complex, Annual Report 2012 Polish Academy of Science, Mathematics, Physics, Chemistry and Earth Science Polish Academy of Science Office of Science PromotionWarsaw (2012-01-01) 62-64.

D. Duraczyńska, E. M. Serwicka, A. Drelinkiewicz, D. Rutkowska-Żbik, M. Witko, R. Socha, M. Zimowska, Z. Olejniczak, Nanospace constraints in mesoporous silica carriers - a factor of critical importance in promoting the catalytic activity of supported ruthenium (II) complex with hemilabile phosphine ligand, Applied Catalysis A: General 427-428 (2012-01-01) 16-23.

D. Rutkowska-Żbik, M. Witko, E. M. Serwicka, Allylic Oxidation of Cyclohexene Catalyzed by Manganese Porphyrins: DFT Studies, Cat. Today 169 (2011-01-01) 10–15.

R. Tokarz-Sobieraj, R. Gryboś, M. Witko, Electronic Structure of MoO2. DFT Periodic and Cluster Model Studies, Applied Catal. A 391 (2011-01-01) 137-143.

W. Rudziński, M. Witko, Comments on the seventh international symposium `Effects of surface heterogeneity in adsorption and catalysis on solids, Applied Surface Science 256 (2010-01-01) 5127-5130.

M. Szaleniec, T. Borowski, K. Schühle, M. Witko, J. Heider, Ab inito modeling of ethylbenzene dehydrogenase reaction mechanism, J. Am. Chem. Soc. 132 (2010-01-01) 6014-6024.

P. Hejduk, M. Szaleniec, M. Witko, Molecular and dissociative adsorption of water at low-index V2O5 surfaces: DFT studies using cluster surface models, J. Mol. Cat. A 325 (2010-01-01) 98-104.

J. Goclon, R. Gryboś, M. Witko, J. Hafner, Oxygen Vacancy Formation on Low-Index V2O5 Surfaces. A Density Functional Investigation, Phys. Rev. B 79 (2009-01-01) 0754391-14.

J. Goclon, R. Gryboś, M. Witko, J. Hafner, Relative Stability of the Low-Index V2O5 Surfaces. A Density Functional Investigation, J. Phys. Condens. Matter 21 (2009-01-01) 095008.

M. Witko, J. Haber, Preface, Topics Catal. 52 (2009-01-01) 921-923.

P. Hejduk, M. Witko, K. Hermann, Electronic Structure of the Unsaturated Low-Indices V2O5 Surfaces. Ab Initio DFT Studies, Topics Catal. 52 (2009-01-01) 1105-1115.

D. Rutkowska-Zbik, M. Witko, G. Stochel, Ligand Binding Properties of Cobalamins, Theor. Chem. Acc. 120 (2008-01-01) 411-419.

M. Szaleniec, R. Tokarz-Sobieraj, M. Witko, Modification of Tetraphenylporphyrine Ring in Manganese (III) Complexes - Theoretical Description of the Influence on Their Physicochemical Properties, Polish J. Chem. 82 (2008-01-01) 1853-1863.

M. Szaleniec, M. Witko, J. Heider, Quantum Chemical Modelling of the C-H Cleavage Mechanism in Oxidation of Ethylbenzene and Its Derivates by Ethylbenzene Dehydrogenase, J. Mol. Catal. A 286 (2008-01-01) 128-136.

M. Szaleniec, R. Tadeusiewicz, M. Witko, The Selection of Optimal Neural Models for Forecasting of Biological Activity of Chemical Compounds, Neurocomputing 72 (2008-01-01) 241-256.

M. Szaleniec, C. Hagel, M. Menke, P. Nowak, M. Witko, J. Heider, Kinetics and Mechanism of Oxygen-Independent Hydrocarbon Hydroxylation by Ethylbenzene Dehydrogenase, Biochem. 46 (2007-01-01) 7637-7646.

R. Tokarz-Sobieraj, M. Witko, Electronic Properties of the Active Sites Present at the (011) Surface of MoO2, Adsorption Sci. Technol. 25 (2007-01-01) 583-596.

D. Rutkowska-Zbik, M. Witko, From Activation of Dioxygen to formation of High-Valent Oxo Species. Ab-initio DFT Studies, J. Mol. Catal. A 275 (2007-01-01) 113-120.

R. Gryboś, M. Witko, Influence of Anatase Support on Catalytic Properties of Vanadium Pentoxide, J. Phys. Chem. C 111 (2007-01-01) 4216-4225.

J. Sloczynski, R. Grabowski, A. Kozlowska, R. Tokarz-Sobieraj, M. Witko, Interaction of Oxygen with the Surface of Vanadia Catalysts, J. Mol. Catal. A 277 (2007-01-01) 27.

D. Rutkowska-Zbik, R. Tokarz-Sobieraj, M. Witko, Quantum Chemical Description of Oxygen Activation Process on Co, Mn, and Mo Metalloporphyrins, J. Chem. Theory Comp. 3 (2007-01-01) 914-920.

D. Rutkowska-Zbik, M. Witko, G. Stochel, Theoretical DFT Studies on Interactions of Small Biologically Active Molecules with Isolated Heme Group, J. Comput. Chem. 28 (2007-01-01) 825-831.

M. Szaleniec, M. Witko, R. Tadeusiewicz, J. Goclon, Application of Artificial Neural Networks and DFT-based Parameters for Prediction of Reaction Kinetics of Ethylbenzene Dehydrogenase, J. Comput.-Aided Molecular Design 20 (2006-01-01) 145-157.

D. Rutkowska-Zbik, M. Witko, Following Nature - Theoretical Studies on Factors Modulating Catalytic Activity of Porphyrins, J. Mol. Catal. A 258 (2006-01-01) 376-380.

M. Witko, R. Gryboś, R. Tokarz-Sobieraj, Heterogeneity of V2O5(010) Surfaces - The Role of Alkali Metal Dopants, Topics Catal. 38 (2006-01-01) 105-115.

W. Rudzinski, M. Witko, Fifth International Symposium - Effects of Surface Heterogeneity in Adsorption and Catalysis on Solids - ISSHAC-V, Gdansk, Poland, - 30th August 3rd September 2004, Appl. Surf. Sci. 252 (2005-01-01) 501-504.

R. Tokarz-Sobieraj, M. Witko, R. Gryboś, DFT Cluster Model Studies on Molybdena and Vanadia Based Catalysts. Energetics of Surface Oxygen Point Defects, Catal. Today 99 (2005-01-01) 241-253.

M. Witko, R. Tokarz-Sobieraj, R. Gryboś, Theoretical Basis of the Activation of Light Alkanes", in: "Sustainable Strategies for the Upgrading of Natural Gas: Fundamentals, Challenges, and Opportunities, NATO ASI Series, II. Mathematics, Physics and Chemistry 191 (2005-01-01) 85-105.

D. Rutkowska-Zbik, M. Jaworska, M. Witko, Application of the DFT Theory to Study Cobalamin Complexes, Struct. Chem. 15 (2004-01-01) 431-435.

A. Klisinska, A. Haras, K. Samson, M. Witko, B. Grzybowska, Effect of Additives on Properties of Vanadia-Based Catalysts for Oxidative Dehydrogenation of Propane. Experimental and Quantum Chemical Studies, J. Mol. Catal. A 210 (2004-01-01) 87-92.

D. Rutkowska-Zbik, M. Witko, E. M. Serwicka, Epoxidation of Cyclohexene Catalyzed by Manganese Porphyrins. Ab initio DFT Studies, Catal. Today 91-92 (2004-01-01) 137-141.

R. Tokarz-Sobieraj, R. Gryboś, M. Witko, K. Hermann, Oxygen Sites at Molybdena and Vanadia Surfaces; Energetics of the Reoxidation Process, Coll. Czech. Chem. Commun. 69 (2004-01-01) 121-140.

E. Ilkowska, M. Witko, R. Tokarz, G. Stochel, Quantum Chemical Modelling of the Oxidation of Myoglobin, Polish J. Chem. 78 (2004-01-01) 1907-1924.

M. Witko, R. Tokarz-Sobieraj, Surface Oxygen in Catalysts Based on Transition Metal Oxides; What Can we Learn from Cluster DFT Calculations?, Catal. Today 91-92 (2004-01-01) 171-176.

D. Rutkowska-Zbik, M. Witko, Activation of Molecular Oxygen, Ann. Polish Chem. Soc. 3 (2004-01-01) 465-468.

I. Czekaj, M. Witko, K. Hermann, Structure and Electronic Properties of the V2O3(0001) Surface: ab initio Density Functional Theory Cluster Studies, Surf. Sci. 525 (2003-01-01) 46-56.

I. Czekaj, K. Hermann, M. Witko, Ab initio DFT Studies on Oxygen Stabilization at the V2O3(0001) Surface, Surf. Sci. 545 (2003-01-01) 85-98.

J. Haber, M. Witko, Oxidation Catalysis-Electronic Theory Revisited, J.Catal. 216 (2003-01-01) 85-96.

I. Czekaj, K. Hermann, M. Witko, Relaxation and Electronic Structure of the V2O3(0001) Surface: ab initio Cluster Model Studies, Surf. Sci. 525 (2003-01-01) 33-45.

I. Czekaj, M. Witko, K. Hermann, Structure and Electronic Properties of the V2O3(0001) Surface: ab initio Density Functional Theory Cluster Studies, Surf. Sci. 525 (2003-01-01) 46-56.

A. Haras, M. Witko, H. A. Duarte, D. R. Salahub, Theoretical Studies on Chemical Nature of Point Defects at (VO)2P2O7(100) Surface, Surf. Sci. 538 (2003-01-01) 160-170.

I. Czekaj, M. Witko, K. Hermann, Oxygen adsorption at the V2O3(0001) surface: DFT cluster model studies, Ann. Polish Chem. Soc. 2 (2003-01-01) 899.

M. Witko, R. Tokarz, Quantum Chemical Description of the Catalyst Surfaces, Annual Report PAS (2003-01-01) 42-44.

R. Tokarz-Sobieraj, R. Gryboś, M. Witko, Reoxidation of (010)MoO3 and (010)V2O5 Surfaces; Quantum Chemical Modeling, Ann. Polish Chem. Soc. 2 (2003-01-01) 936.

A. Haras, H.A. Duarte, D.R. Salahub, M. Witko, Changes of Local Electronic Structure of Perfect (VO)2P2O7(100) Surface in Response to Oxygen Vacancy Formation: Effect of Electron Trapping, Surf. Sci. 513 (2003-01-01) 367-380.

A. Wanat, J. Gdula-Argasinska, D. Rutkowska-Zbik, M. Witko, G. Stochel, R. van Eldik, Nitrite Binding to Metmyoglobin and Methemoglobin in Comparison to Nitric Oxide Binding, J. Biol. Inorg. Chem. 7 (2002-01-01) 165-176.

K. Szacilowski, A. Wanat, A. Barbieri, E. Wasielewska, M. Witko, G. Stochel, Z. Stasicka, Reaction of the [Fe(CN)5NO]2- Complex with Biologically Relevant Tiols, New J. Chem. 26 (2002-01-01) 1495-1502.

M. Witko, Quantum-chemical description of the active sites for the selective oxidation of hydrocarbons, Catalysis Today 32 (1996-01-01) 89-95.

J. Haber, M. Witko, Quantum-chemical modelling of hydrocarbon oxidation on vanadium-based catalysts, Catalysis Today 23 (1995-01-01) 311-316.

Jerzy Haber Institute of Catalysis
and Surface Chemistry

Polish Academy of Sciences