2021

Kubas, A.
How the Donor/Acceptor Spin States Affect the Electronic Couplings in Molecular Charge-Transfer Processes?
Journal of Chemical Theory and Computation, https://doi.org/10.1021/acs.jctc.1c00126

Siklitskaya, A., Gacka, E., Larowska, D., Mazurkiewicz-Pawlicka, M., Malolepszy, A., Stobiński, L., Marciniak, B., Lewandowska-Andrałojć, A., & Kubas, A.
Lerf–Klinowski-type models of graphene oxide and reduced graphene oxide are robust in analyzing non-covalent functionalization with porphyrins.
Scientific Reports, https://doi.org/10.1038/s41598-021-86880-1

Uygur, M., Kuhlmann, J. H., Pérez-Aguilar, M. del C., Piekarski, D. G., & García Mancheño, O.
Metal- and Additive-free C-H Oxygenation of Alkylarenes by Visible-light Photoredox Catalysis.
Green Chemistry, https://doi.org/10.1039/D1GC00463H

Blum, E., Zhang, J., Zaluski, J., Einstein, D. E., Korshin, E. E., Kubas, A., Gruzman, A., Tochtrop, G. P., Kiser, P. D., & Palczewski, K.
Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy.
Journal of Medicinal Chemistry, https://doi.org/10.1021/acs.jmedchem.1c00279

Pagacz-Kostrzewa, M., Kochman, M. A., Gul, W., & Wierzejewska, M.
Phototransformations of 2-aminonicotinic acid resolved with matrix isolation infrared spectroscopy and ab initio calculations.
Journal of Photochemistry and Photobiology A: Chemistry, https://doi.org/10.1016/j.jphotochem.2021.113187

Masternak, J., Zienkiewicz-Machnik, M., Łakomska, I., Hodorowicz, M., Kazimierczuk, K., Nosek, M., Majkowska-Młynarczyk, A., Wietrzyk, J., & Barszcz, B.
Synthesis and Structure of Novel Copper(II) Complexes with N,O- or N,N-Donors as Radical Scavengers and a Functional Model of the Active Sites in Metalloenzymes.
International Journal of Molecular Sciences, https://doi.org/10.3390/IJMS22147286

Kochman, M. A., Palczewski, K., & Kubas, A.
Theoretical Study of the Photoisomerization Mechanism of All-Trans-Retinyl Acetate.
The Journal of Physical Chemistry A,  https://doi.org/10.1021/ACS.JPCA.1C05533

Kochman, M. A., Durbeej, B., & Kubas, A.
Simulation and Analysis of the Transient Absorption Spectrum of 4-(N,N-Dimethylamino)benzonitrile (DMABN) in Acetonitrile.
The Journal of Physical Chemistry A,  https://doi.org/10.1021/ACS.JPCA.1C06166

Grądzka, E., Rizzi, G. A., Bonarowska, M., & Dłużewski, P. 
Capacitance Properties of Chemically Prepared Carbon Nanostructure/Polyazulene Composites.
ECS Journal of Solid State Science and Technology, https://doi.org/10.1149/2162-8777/AC26D7

Rousseau, P., González-Vázquez, J., Piekarski, D. G., Kopyra, J., Domaracka, A., Alcamí, M., Adoui, L., Huber, B. A., Díaz-Tendero, S., & Martín, F.
Timing of charge migration in betaine by impact of fast atomic ions.
Science Advances, https://doi.org/10.1126/SCIADV.ABG9080

Ratajczyk, T., Mames, A., Pietrzak, M., Bernatowicz, P., Kubas, A., & Luboradzki, R. NMR Crystallography Enhanced by Quantum Chemical Calculations and Liquid State NMR for the Investigation of Se NHC Adducts. Chemistry – A European Journal, https://doi.org/10.1002/CHEM.202102800

Ziogos, O. G., Kubas, A., Futera, Z., Xie, W., Elstner, M., & Blumberger, J.
HAB79: A New Molecular Dataset for Benchmarking DFT and DFTB Electronic Couplings Against High-Level Ab-initio Calculations.
The Journal of Chemical Physics, https://doi.org/10.1063/5.0076010

2022

Jesús Fernández-Ropero, A., Zawadzki, B., Matus, K., Patkowski, W., Krawczyk, M., Lisovytskiy, D., Raróg-Pilecka, W., & Śrębowata, A.
Co Loading Adjustment for the Effective Obtention of a Sedative Drug Precursor through Efficient Continuous-Flow Chemoselective Hydrogenation of 2-Methyl-2-pentenal.
Catalysts, https://doi.org/10.3390/CATAL12010019

Grądzka, E., Breczko, J., Bonarowska, M., Wysocka-Żołopa, M., Basa, A., & Winkler, K.
Oxidized Multiwalled Carbon Nanotubes as Components and Oxidant Agents in the Formation of Multiwalled Carbon Nanotube/Polyazulene Composites.
Journal of The Electrochemical Society,  https://doi.org/10.1149/1945-7111/AC5347

Lohmann, N., Milovanović, V., Piekarski, D. G., & Mancheño, O. G.
Metal-free Oxoammonium Salt-Mediated C(sp3)-H Oxidative Ugi-Azide Multicomponent Reaction.
Organic & Biomolecular Chemistry, https://doi.org/10.1039/D2OB00101B

Wagner, J., Crocomo, P. Z., Kochman, M. A., Kubas, A., Data, P., & Lindner, M.
Modular, n-Doped Concave PAHs for High-Performance OLEDs with Tunable Emission Mechanisms.
Angewandte Chemie International Edition,  https://doi.org/10.1002/ANIE.202202232

Korona, K., Terlecki, M., Justyniak, I., Magott, M., Żukrowski, J., Kornowicz, A., Pinkowicz, D., Kubas, A., & Lewinski, J.
A new look at molecular and electronic structure of homoleptic diiron(II,II) complexes with N,N-bidentate ligands: Combined experimental and theoretical study.
Chemistry – A European Journal, https://doi.org/10.1002/CHEM.202200620

Bartkowski, K., Crocomo, P. Z., Kochman, M., Kumar, D., Kubas, A., Data, P., Lindner, M.,

Tandem rigidification and π-extension as a key tool for the development of a narrow linewidth yellow hyperfluorescent OLED system.

Chemical Science, https://doi.org/10.1039/D2SC03342A

Kochman, M., Gryber, T. G., Durbeej, B., & Kubas, A.

Simulation and Analysis of the Relaxation Dynamics of a Photochromic Furylfulgide.

Physical Chemistry Chemical Physics, https://doi.org/10.1039/D2CP02143A

Dyachenko, A., Ischenko, O., Diyuk, V., Goncharuk, O., Borysenko, M., Mischanchuk, O., Zakharova, T., Pryhunova, O., Sternik, D., & Lisnyak, V.

The catalytic efficiency of Fe-containing nanocomposites based on highly dispersed silica in the reaction of CO2 hydrogenation.

Research on Chemical Intermediates, https://doi.org/10.1007/s11164-022-04720-x

Lewandowska-Andralojc, A., Gacka, E., Pedzinski, T., Burdzinski, G., Lindner, A., O’Brien, J. M., Senge, M. O., Siklitskaya, A., Kubas, A., Marciniak, B., & Walkowiak-Kulikowska, J.
Understanding structure–properties relationships of porphyrin linked to graphene oxide through π–π-stacking or covalent amide bonds.
Scientific Reports, https://doi.org/10.1038/s41598-022-16931-8

Dyachenko, A. G., Ischenko, O. V., Borysenko, M. V., Gaidai, S. V., Yatsymyrskyi, A. V., Tsapyuk, G. G., Pryhunova, O. V., & Kostyrko, O. O.
Co-Fe/Al2O3 Nanocomposite Catalysts of the Process of CO2 Hydrogenation.
Theoretical and Experimental Chemistry,  https://doi.org/10.1007/S11237-022-09731-8

Lalaoui, N., Abdellah, M., Materna, K. L., Xu, B., Tian, H., Thapper, A., Sa, J., Hammarström, L., & Ott, S. 
Gold nanoparticle-based supramolecular approach for dye-sensitized H2-evolving photocathodes.
Dalton Transactions, https://doi.org/10.1039/D2DT02798D

Hong, J. D., Salom, D., Kochman, M. A., Kubas, A., Kiser, P. D., & Palczewski, K.
Chromophore hydrolysis and release from photoactivated rhodopsin in native membranes.
Proceedings of the National Academy of Sciences,  https://doi.org/10.1073/PNAS.2213911119
Vision starts when a photon isomerizes the 11-cis-retinylidene chromophore of rhodopsin to initiate phototransduction. The all-trans-retinylidene product is hydrolyzed and all-trans-retinal released, allowing rebinding of 11-cis-retinal to regenerate rhodopsin for sustained vision. In this paper, we studied, both experimentally and theoretically, the kinetics and thermodynamics of the fundamental process of chromophore hydrolysis.

Cimoch, I., Grądzka, E., Bonarowska, M., Dłużewski, P., Rizzi, G. A., Kozłowski, M., & Winkler, K.
Formation and electrochemical properties of ternary mesoporous carbon, coordination C60Pd polymer and palladium nanoparticle composites.
Electrochimica Acta, https://doi.org/10.1016/J.ELECTACTA.2022.141741

Bericat-Vadell, R., Zou, X., Drillet, M., Corvoysier, H., Silveira, V. R., Konezny, S. J., & Sá, J.
Carrier Dynamics in Solution-Processed CuI as a P-Type Semiconductor: The Origin of Negative Photoconductivity.
The Journal of Physical Chemistry Letters, https://doi.org/10.1021/ACS.JPCLETT.2C03720

Zou, X., Vadell, R. B., Liu, Y., Mendalz, A., Drillet, M., & Sá, J.
Photophysical Study of Electron and Hole Trapping in TiO2and TiO2/Au Nanoparticles through a Selective Electron Injection.
Journal of Physical Chemistry C, https://doi.org/10.1021/ACS.JPCC.2C07021

2023

Ganguli Sagar; Zhao Ziwen; Parlak Onur; Hattori Yocefu; Sa Jacinto; Sekretareva Alina   

Nano-Impact Single-Entity Electrochemistry Enables Plasmon-Enhanced Electrocatalysis

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION  2023  62 25

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Keuper Alica C.; Fengler Kevin; Ostler Florian; Danelzik Tobias; Piekarski Dariusz G.; Mancheno Olga Garcia         

Fine-Tuning Substrate-Catalyst Halogen-Halogen Interactions for Boosting Enantioselectivity in Halogen-Bonding Catalysis             

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2023 62 35

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Sarang Kumar; Otto Tobias; Gagan Sahir; Rudziński Krzysztof; Schaefer Thomas; Brueggemann Martin; Grgic Irena; Kubas Adam; Herrmann Hartmut; Szmigielski Rafał

Aqueous-phase photo-oxidation of selected green leaf volatiles initiated by ?OH radicals: Products and atmospheric implications

SCIENCE OF THE TOTAL ENVIRONMENT 2023 879 162622

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Wagner Jakub; Kumar Dharmendra; Kochman Michal Andrzej; Gryber Tomasz; Grzelak Magdalena; Kubas Adam; Data Przemyslaw; Lindner Marcin

Facile Functionalization of Ambipolar Nitrogen-Doped PAHs toward Highly Efficient TADF OLED Emitters             

ACS APPLIED MATERIALS & INTERFACES 2023 15 31 37728-37740

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Stasyuk Nataliya; Zakalskiy Andriy; Nogala Wojciech; Gawinkowski Sylwester; Ratajczyk Tomasz; Bonarowska Magdalena; Demkiv Olha; Zakalska Oksana; Gonchar Mykhailo 

A reagentless amperometric biosensor for creatinine assay based on recombinant creatinine deiminase and N-methylhydantoin-sensitive CoCu nanocomposite           

SENSORS AND ACTUATORS B-CHEMICAL 2023    393 134276

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Bericat-Vadell Robert; Sekar Pandiaraj; Patehebieke Yeersen; Zou Xianshao; Kaul Nidhi; Broqvist Peter; Lindblad Rebecka; Lindblad Andreas; Arkhypchuk Anna; Walletin Carl-Johan; Sa Jacinto

Single-electron transfer reactions on surface-modified gold plasmons   

MATERIALS TODAY CHEMISTRY 2023 34 101783

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Cimoch Izabela; Gradzka Emilia; Bonarowska Magdalena; Dluzewski Piotr; Rizzi Gian Andrea; Kozlowski Mirosław; Winkler Krzysztof           

Formation and electrochemical properties of ternary mesoporous carbon coordination C60Pd polymer and palladium nanop  composites

ELECTROCHIMICA ACTA 2023 441 141741

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Bericat-Vadell Robert; Zou Xianshao; Drillet Melio; Corvoysier Hugo; Silveira Vitor R.; Konezny Steven J.; Sa Jacinto        

Carrier Dynamics in Solution-Processed CuI as a P-Type Semiconductor: The Origin of Negative Photoconductivity         

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2023  14 4 1007-1013

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Zou Xianshao; Vadell Robert Bericat; Cai Bin; Geng Xinjian; Dey Ananta; Liu Yawen; Gudmundsson Axel; Meng Jie; Sa Jacinto

Ultrafast Infrared-to-Visible Photon Upconversion on Plasmon/TiO2 Solid Films

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2023 14 27 6255-6262

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Clarizia Laura; Vitiello Giuseppe; Bericat Vadell Robert; Sa Jacinto; Marotta Raffaele; Di Somma Ilaria; Andreozzi Roberto; Luciani Giuseppina        

Effect of Synthesis Method on Reaction Mechanism for Hydrogen Evolution over CuxOy/TiO2 Photocatalysts: A Kinetic Analysis              

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES  2023 24 3 2004

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James Pogrebetsky Alexandra Si-klitskaya Adam Kubas

MP2-Based Correction Scheme to Approach the Limit of a Complete Pair Natural Orbitals Space in DLPNO-CCSD(T) Calculations      

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 2023  19 13 4023–4032

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Sundriyal Shashank; Dubey Prashant; Mansi; Gupta Bhavana; Hołdyński Marcin; Bonarowska Magdalena; Deep Akash; Shrivastav Vishal; Nogala Wojciech        

Zeolitic Imidazole Framework Derived Cobalt Phosphide/Carbon Composite and Waste Paper Derived Porous Carbon for High-Performance Supercapattery  

ADVANCED MATERIALS INTERFACES  2023 10 31

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Derkowski Wojciech; Kumar Dharmandra; Gryber Tomasz; Wagner Jakub; Morawiak Maja; Kochman Michal Andrzej; Kubas Adam; Data Przemyslaw; Lindner Marcin

V-shaped donor-acceptor organic emitters. A new approach towards efficient TADF OLED devices

CHEMICAL COMMUNICATIONS 2023  59 19 2815-2818

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Geng Xinjian; Liu Yawen; Zou Xianshao; Johansson Erik M. J.; Sa Jacinto

Transient Energy-Resolved Photoluminescence Study of Excitons and Free Carriers on FAPbBr3 and FAPbBr3/SnO2 Interfaces          

JOURNAL OF PHYSICAL CHEMISTRY C  2023  127 6 3085-3092

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Silveira Vitor R.; Bericat-Vadell Robert; Sa Jacinto

Photoelectrocatalytic Conversion of Nitrates to Ammonia with Plasmon Hot Electrons  

JOURNAL OF PHYSICAL CHEMISTRY C 2023  127 11 5425-5431

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Geng Xinjian; Liu Yawen; Zou Xianshao; Johansson Erik M. J.; Sa Jacinto

Can photoluminescence quenching be a predictor for perovskite solar cell efficiencies?

PHYSICAL CHEMISTRY CHEMICAL PHYSICS  2023  25 34 22607-22613

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Ochirbat Enkhlin; Zbonikowski Rafał; Sulicka Anna; Bonczak Bartlomiej; Bonarowska Magdalena; Los Marcin; Malinowska Elzbieta; Hołyst Robert; Paczesny Jan          

Heteroaggregation of virions and microplastics reduces the number of active bacteriophages in aqueous environments               

JOURNAL OF ENVIRONMENTAL QUALITY  2023  52 3 665-677                                                        

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Wach Anna; Zou Xianshao; Wojtaszek Klaudia; Kayser Yves; Garlisi Corrado; Palmisano Giovanni; Sa Jacinto; Szlachetko Jakub   

Towards understanding the TiO2 doping at the surface and bulk              

X-RAY SPECTROMETRY  2023 52 5

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O. Pryhunova A. Dyachenko O. Ischenko V. Diuyk O. Gon-charuk O. Orańska M. Bonarowska

NiFe(CoFe)/silica and NiFe(CoFe)/alumina nanocomposites for the catalytic hydrogenation of CO2

APPLIED NANOSCIENCE 2023 13  6829–6840