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Chemical and Biological Systems Simulation Laboratory

 


Profile
Leader
Team
Projects
Publications
Contact
Website

Profile

Prof. Bartosz Trzaskowski
email: b.trzaskowski@cent.uw.edu.pl
phone: +48 22 55 43671
office: 04.59
ORCID: 0000-0003-2385-1476
SCOPUS ID: 14632792700

The group aims to develop computational methods and their application in simulating chemical and biological systems. We are interested in predicting the structures, properties and functions of proteins, macromolecular and nano-systems, catalysts for chemical reactions and in applying theoretical methods to the design of new materials/ligands/chemical compounds with applications in pharmaceuticals, material sciences, nanotechnology and catalysis.

Leader

Bartosz Trzaskowski – CV

Team

Leader
Bartosz Trzaskowski

Postdocs / Researchers
Juan Pablo Martinez
Silvio Osella
Mateusz Wlazło

PhD students
Tymoteusz Basak
Huiying Huang
Anna Marczyk
Piotr Krajewski

Students
Dara Ugorska
Łukasz Cieszyński
Kamil Szychta

Selected projects

Title Leader Years Funding
Bis-carbene ruthenium complexes as specialized olefin metathesis catalysts B. Trzaskowski 2022-2026 NCN OPUS
Low-Dimensional Nano-Architectures for Light Emission and Light-to-Electricity Conversion S. Osella 2022-2026 NCN OPUS
Low-dimensional materials for solar fuels conversion and valorization (SOLAR2VAL) S. Osella 2024-2029 NCN SONATA BIS
Sustainable ethenolysis of renewable seed oils with novel ruthenium-based catalysts P. Martinez 2024-2027 NCN SONATA
Catenanes as new tools for stereoselective catalysts B. Trzaskowski 2019-2023 NCN OPUS
Rational Design of Bio-Organic Systems for Biomimetic Applications S. Osella 2019-2023 NCN OPUS
Unconventional azo cross metathesis – theoretical and experimental studies M. Jawiczuk 2020-2023 NCN SONATA
Anionic Carbenes and Borylanions: Tuning the properties of ruthenium metal complexes in olefin metathesis B. Trzaskowski 2018-2022 NCN BEETHOVEN
Analysis of the degradation reactions of ruthenium metathesis catalysts K. Młodzikowska 2019-2022 NCN PRELUDIUM
Anionic, cationic and mesoionic analogues of N-heterocyclic carbenes in homogenous catalysis B. Trzaskowski 2017-2021 NCN SONATA BIS
Towards an efficient design of biosensors: an investigation of the interplay between light harvesting proteins and graphene S. Osella 2016-2018 NCN POLONEZ

Selected publications

  • Ostrowska K., Ciesielski A., Sadocha A., Prokopiuk D., Trzaskowski B.
    A detailed structural analysis of selected (oxiran-2-yl)methoxy- and 3-chloro-2-hydroxypropoxycoumarin
    (2025) Journal of Molecular Structure, 1321, art. no. 140269
    DOI: 10.1016/j.molstruc.2024.140269
  • Matviyishyn M., A. Konieczny K., Trzaskowski B., Szyszko B.
    Janus Reactivity of Crownphyrinoids: Alkali- vs. Transition Metal-Mediated Transformations of Crown Ether-Porphyrin Hybrids
    (2024) Chemistry – A European Journal, 30 (62), art. no. e202402932
    DOI: 10.1002/chem.202402932
  • Trzaskowski B., Martínez J.P., Sarwa A., Szyszko B., Goddard W.A., III
    Argentophilic Interactions, Flexibility, and Dynamics of Pyrrole Cages Encapsulating Silver(I) Clusters
    (2024) Journal of Physical Chemistry A, 128 (17), pp. 3339 – 3350
    DOI: 10.1021/acs.jpca.4c01464
  • Jawiczuk M., Trzaskowski B.
    Impact of the Olefin and Diazene Structure on the Heterofunctional Azo Metathesis Catalyzed by the First-Generation Grubbs Catalyst
    (2024) Organometallics, 43 (18), pp. 2044 – 2051
    DOI: 10.1021/acs.organomet.4c00264
  • Grzelczak R.A., Basak T., Trzaskowski B., Kinzhybalo V., Szyszko B.
    Multimodal Molecular Motion in the Rotaxanes and Catenanes Incorporating Flexible Calix[n]phyrin Stations
    (2024) Angewandte Chemie – International Edition
    DOI: 10.1002/anie.202413579
  • Liu K., Zheng W., Osella S., Qiu Z.-L., Böckmann S., Niu W., Meingast L., Komber H., Obermann S., Gillen R., Bonn M., Hansen M.R., Maultzsch J., Wang H.I., Ma J., Feng X.
    Cove-Edged Chiral Graphene Nanoribbons with Chirality-Dependent Bandgap and Carrier Mobility
    (2024) Journal of the American Chemical Society, 146 (1), pp. 1026 – 1034
    DOI: 10.1021/jacs.3c11975
  • Cybulski M., Zaremba-Czogalla M., Trzaskowski B., Kubiszewski M., Tobiasz J., Jaromin A., Krzeczyński P., Gubernator J., Michalak O.
    The conjugates of 5′-deoxy-5-fluorocytidine and hydroxycinnamic acids – synthesis, anti-pancreatic cancer activity and molecular docking studies
    (2024) RSC Advances, 14 (19), pp. 13129 – 13141
    DOI: 10.1039/d4ra01683a
  • Zier M., Planer S., Czeluśniak I., Marczyk A., Młodzikowska-Pieńko K., Trzaskowski B., Bockfeld D., Tamm M., Kajetanowicz A.
    Ruthenium Complexes with a Tridentate Anionic Bisfluoroalkoxy-Carbene Ligand – Valuable Latent Olefin Metathesis Catalysts for Polymerisation Reactions
    (2024) European Journal of Inorganic Chemistry, 27 (15), art. no. e202300783
    DOI: 10.1002/ejic.202300783
  • Medina-Lopez D., Liu T., Osella S., Levy-Falk H., Rolland N., Elias C., Huber G., Ticku P., Rondin L., Jousselme B., Beljonne D., Lauret J.-S., Campidelli S.
    Interplay of structure and photophysics of individualized rod-shaped graphene quantum dots with up to 132 sp² carbon atoms
    (2023) Nature Communications, 14 (1), art. no. 4728
    DOI: 10.1038/s41467-023-40376-w
  • Kaźmierczak M., Giannini S., Osella S.
    Photoinduced energy and electron transfer at graphene quantum dot/azobenzene interfaces
    (2023) Journal of Materials Chemistry C, 12 (1), pp. 143 – 153
    DOI: 10.1039/d3tc03667g

Contact

Prof. Bartosz Trzaskowski
email: b.trzaskowski@cent.uw.edu.pl
phone: +48 22 55 43671
office: 04.59