Chemical and Biological Systems Simulation Laboratory

The aim of LSSCB (Chemical and Biological Systems Simulation Lab) is to develop and apply theoretical and computational methods (ranging from quantum chemistry to molecular mechanics/dynamics) to describe the chemical, physical and biological phenomena. The particular focus of the lab is on the prediction of protein structures, nanotechnology, homogeneous catalysis and physical organic chemistry.

We are interested both in basic research as well as its applications to help solve real industrial problems. LCCSB is affiliated with the Centre of New Technologies, University of Warsaw.

Please visit our Group Website for more details.

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

Degrees: MSc (Chemistry), PhD (Chemistry), DSc (Habilitation, Chemistry)
Tel: (+48) 554 36 71 Fax: (+4822) 554 08 01
Email: b.trzaskowski@cent.uw.edu.pl

Affiliation: Center of New Technologies, University of Warsaw, Poland

Research Interests:

Bartosz Trzaskowski interests are focused on the development and use of computational methods for the description of chemical, physical and biological phenomena. Currently he is involved mainly in projects related to homogenous catalysis with the aim to better understand the mechanisms of actions of catalysts and use this knowledge to design new, better catalysts for important chemical reactions. Earlier his main research area was the development and coding of new protocols for the prediction of the 3-dimensional, all-atom structure of G protein-coupled receptors (GPCRs). Most of his work in this topic was related to the CCR5 receptor which is used by HIV to enter target cells. He is an expert in modeling the structures of other chemokine receptors, their activation mechanisms and rational drug design and development. He is also interested in material science and combining biological systems with inorganic/organic ones to design and produce novel materials.

Research Summary (Past & Current):

Head of the Chemical and Biological Systems Simulation Laboratory.
His main expertise covers computational chemistry, biochemistry, biology, materials science and drug design. He is actively performing atomic scale simulations, applying computational models to solve problems in various fields of science and developing computational algorithms. His recent achievements cover the thorough mechanistic description of catalytic processes related to olefin metathesis.
He received an MS degree in Computational Chemistry (Faculty of Chemistry, University of Warsaw) under the supervision of Andrzej Leś in 2001. In 2005 he defended his PhD degree in Computational Chemistry (Faculty of Chemistry, University of Warsaw) under the same supervisor. From 2005 to 2008 he was a postdoctoral researcher at the Department of Chemistry, University of Arizona (Tucson, USA) in Ludwik Adamowicz group. In 2008 he moved for his second postdoctoral researcher position to California Institute of Technology where he worked in William A. Goddard III group at the Department of Chemistry. In 2010 he came back to Poland working for a short time at the International Institute of Molecular and Cell Biology in Warsaw before moving to the Faculty of Chemistry (Sławomir Filipek lab).
From 2013 he is the head of the Chemical and Biological Systems Simulation Laboratory at the Centre of New Technologies. He was also a visiting professor at the University of Arizona in 2013-2014 within the Mobility program.

Education

  • MSc: 2001, Faculty of Chemistry, University of Warsaw, Poland. Major: computational chemistry.
    Thesis title:
    “Octahedral manganese complexes – an introduction to the modeling of inhibitors of the small cell lung cancer”;
  • PhD: 2005, Faculty of Chemistry, University of Warsaw, Poland.
    Major: computational chemistry.
    Dissertation title:
    „Diffusion of curved surfaces”;
  • PostDoc: 2005 – 2008, Department of Chemistry, University of Arizona, USA.
    Research project: “Electroless Plating of Protein Templates for the Fabrication of Straight Nanowires on Silicon“;
  • PostDoc: 2008 – 2010, Department of Chemistry, California Institute of Technology, USA
    Research project:
    “Prediction of Structures and Ligands for GPCRs“;
  • Habilitation: 2017, Faculty of Chemistry, University of Warsaw, Poland
    Major: Chemistry
    Dissertation title: “Modelling of structures and reactions paths of ruthenium complexes, potential olefin metathesis catalysts”

Positions held

  • 2013 – present – Head of Chemical and Biological Systems Simulation Laboratory, Centre of New Technologies, Warsaw University, Poland.
  • 2012 – 2013 – Assistant Professor, Faculty of Chemistry, Warsaw University, Poland.

Visiting Researcher

  • 2013 – 2014, Department of Chemistry, University of Arizona, USA
  • 2009 – Department of Chemistry, University of Sidney, Australia
  • 2003 – 2014, Department of Chemistry, Stockholm University, Sweden

Other professional activities and memberships

  • Member of the Polish Chemical Society

Recent major publications

  1. S. Osella, M. Kiliszek, E. Harputlu, C.G. Unlu, K. Ocakoglu, J. Kargul, B. Trzaskowski, “Controlling the Charge Transfer Flow at the Graphene/Pyrene-Nitrilotriacetic Acid Interface”, J. Mater. Chem. C, 6, 5046-5054 (2018).
  2. R. Gawin, A. Tracz, M Chwalba, A. Kozakiewicz, B. Trzaskowski, K. Skowerski, “Cyclic Alkyl Amino Carbene Ruthenium Complexes – Unprecedented Efficiency in Macrocyclization and Acrylonitrile Cross Metathesis”, ACS Catal., 7, 5443-5449 (2017).
  3. K. Grudzień, B. Trzaskowski, M. Smoleń, R. Gajda, K. Woźniak, K. Grela, “Hoveyda-Grubbs catalyst analogues bearing derivatives of N-phenylpyrrol in carbene ligand – structure, stability, activity and unique ruthenium-phenyl interactions”, Dalton Trans., 46, 11790-11799 (2017).
  4. B. Żyżyńska-Granica, B. Trzaskowski, S. Niewieczerzal, S. Filipek, O. Zegrocka-Stendel, M. Dutkiewicz, P. Krzeczyński, M. Kowalewska, K. Koziak, “Pharmacophore guided discovery of small-molecule interleukin 15 inhibitors”, Eur. J. Med. Chem., 136, 543-547 (2017)
  5. R. Abrol, B. Trzaskowski, W.A. Goddard, A. Nesterov, I. Olave, C. Irons, “Ligand and mutation induced conformational selection in the CCR5 Chemokine G protein-coupled receptor”, Proc. Natl. Acad. Sci. USA, 111, 13040-13045 (2014).
  6. J. Bray, R. Abrol, W.A. Goddard, B. Trzaskowski, C. Scott, “The SuperBiHelix Method for Predicting the Pleiotropic Ensemble of G-Protein Coupled Receptor Conformations”, Proc. Natl. Acad. Sci. USA, 111, E72-E78 (2014).

Research projects

  • 2018-2020 NCN Beethoven 2 grant “Anionic Carbenes and Borylanions: Tuning the properties of ruthenium metal complexes in olefin metathesis” to B. Trzaskowski, PI;
  • 2017-2021 NCN SONATA BIS 6 grant “ Anionic, cationic and mesoionic analogues of N-heterocyclic carbenes in homogenous catalysis” to B. Trzaskowski, PI;
  • 2012-2015 NCBiR 3rd Polish-Singaporean competition grant “Green and sustainable catalysts for chemical, agrochemical and pharmaceutical industry” to B. Trzaskowski and K. Grela, coPIs;
  • 2013-2015 NCN OPUS 3 grant “New analogues of N-heterocyclic carbenes in Ruthenium-based metathesis catalysts – design, modeling, synthesis, analysis” to B. Trzaskowski, PI;
  • 2013-2014 MNiSW Mobility Plus grant “New hybrid materials and biomaterials – design, structure and properties modelling and synthesis” to B. Trzaskowski, PI;
  • 2012-2013 Polpharma Scientific Foundation grant “Identification of a new chemical compounds inhibiting biological effects of interleukin 15 (IL-15) via selective blocking of IL-15R  receptor”, key personnel
  • 2011-2012 National Science Foundation (US) grant “EAGER: Mattressene – A 3D Carbon Nanostructure Superlattice: Experimental and Theoretical Synthesis and Characterization”, key personnel
  • 2009-2011 Foundation for Polish Science Homing/Powroty grant “First Principles Predictions of the Structure and Function of Chemokine Receptors” to B. Trzaskowski, PI;
  • 2009-2010 Chevron grant “Low-temperature methane-to-methanol oxidation”, key personnel
  • 2008-2019 PharmSelex grant “Prediction of Structures and Ligands for GPCRs”, key personnel
  • 2005-2008, National Science Foundation (US) NIRT grant “Electroless Plating of Protein Templates for the Fabrication of Straight Nanowires on Silicon”, key personnel
  • 2004-2005, Ministry of Science and Higher Education (Poland) grant “Quantum mechanical study of the solvolysis of CMP-NeuAc and its application in modelling of sialyltransferase inhibitors” to B. Trzaskowski, PI;

Teaching experience

  • University of Warsaw: Basic Informatics, Advanced Informatics, Quantum Chemistry A, Inorganic Chemistry, General Chemistry, Calculations in Analytical Chemistry
  • Warsaw Medical University: Medicinal Chemistry, Biochemistry with elements of chemistry

Awards

  • 2012-2015, Stipend for outstanding young scientists, Ministry of Science and Higher Education (Poland)

Languages:
Polish (native), English (fluent)

 


Cyclic Alkyl Amino Ruthenium Complexes—Efficient Catalysts for Macrocyclization and Acrylonitrile Cross Metathesis
Gawin, R., Tracz, A., Chwalba, M., Kozakiewicz, A., Trzaskowski, B., & Skowerski, K.
ACS Catalysis, 7(8)
Structural and Electronic Properties of Boranes Containing Boron-Chalcogen Multiple Bonds and Stabilized by Amido Imidazoline-2-imine Ligands
Dr. Juan Pablo Martínez, Dr. Bartosz Trzaskowski
Chemistry - A European Journal, Volume28, Issue12 February 24, 2022
The Interplay of Conjugation and Metal Coordination in Tuning the Electron Transfer Abilities of NTA-Graphene Based Interfaces
Magdalena Kaźmierczak, Bartosz Trzaskowski, Silvio Osella
Int. J. Mol. Sci. 2022, 23(1), 543
Reactions of a Four-Membered Borete with Carbon, Silicon, and Gallium Donor Ligands: Fused and Spiro-Type Boracycles
Zeynep Güven, Lars Denker, Hadi Dolati, Daniela Wullschläger, Bartosz Trzaskowski, René Frank
Chemistry - A European Journal, Volume28, Issue32
Ruthenium Olefin Metathesis Catalysts Bearing Macrocyclic N-Heterocyclic Carbene Ligand: Improved Stability and Activity
Wioletta Kośnik, Dawid Lichosyt, Marcin Śnieżek, Angelika Janaszkiewicz, Krzysztof Woźniak, Maura Malińska, Bartosz Trzaskowski, Anna Kajetanowicz, Karol Grela
Angewandte Chemie - International Edition, Volume61, Issue24
Performance of electrochemical immunoassays for clinical diagnostics of SARS-CoV-2 based on selective nucleocapsid N protein detection: boron-doped diamond, gold and glassy carbon evaluation
Wioleta Białobrzeska, Mateusz Ficek, Bartłomiej Dec, Silvio Osella, Bartosz Trzaskowski, Andres Jaramillo-Botero, Mattia Pierpaoli, Michał Rycewicz, Yanina Dashkevich, Tomasz Łęga, Natalia Malinowska, Zofia Cebula, Daniel Bigus, Daniel Firganek, Ewelina Bięga, Karolina Dziąbowska, Mateusz Brodowski, Marcin Kowalski, Mirosława Panasiuk, Beata Gromadzka, Sabina Żołędowska, Dawid Nidzworski, Krzysztof Pyrć, William A Goddard, Robert Bogdanowicz
Biosens Bioelectron . 2022 Aug 1;209:114222.
Exhibiting environmental sensitive optical properties through multiscale modelling: a study of photoactive probes
S. Osella, M. Marczak, N. Arul Murugan, S. Knippenberg
Journal of Photochemistry and Photobiology A: Chemistry Volume 425, 1 March 2022, 113672
Deciphering photo-induced charge transfer dynamics in a cross-linked graphene-dye nanohybrid
Aaron M. Ross, Silvio Osella, Veronica R. Policht, Meng Zheng, Michele Maggini, Fabio Marangi, Giulio Cerullo, Teresa Gatti*, and Francesco Scotognella
J. Phys. Chem. C 2022, 126, 7, 3569–3581
Non-Planar Rhombus and Kagome 2D Covalent Organic Frameworks from Distorted Aromatics for Electrical Conduction
Guolong Xing, Wenhao Zheng, Lei Gao, Ting Zhang, Xiaowei Wu, Shuai Fu, Xiaoyu Song, Ziqiang Zhao, Silvio Osella, Marta Martínez-Abadía, Hai I. Wang, Jinming Cai, Aurelio Mateo-Alonso, and Long Chen
J. Am. Chem. Soc. 2022, 144, 11, 5042–5050
Solution Synthesis and Characterization of a Long and Curved Graphene Nanoribbon with Hybrid Cove-Armchair-Gulf Edge Structures
Lin Yang, Ji Ma,Wenhao Zheng, Silvio Osella, Jörn Droste, Hartmut Komber, Kun Liu,Steffen Böckmann, David Beljonne, Michael Ryan Hansen, Mischa Bonn, Hai I. Wang, Junzhi Liu, Xinliang Feng
Advanced Science, Volume9, Issue19, Special Issue: Functional Carbon-Rich Materials — Anniversary Issue for Klaus Müllen July 6, 2022 2200708
Enhancement of direct electron transfer in graphene bioelectrodes containing novel cytochrome c553 variants with optimized heme orientation
Izzo M, Osella S*, Jacquet M, Kiliszek M, Harputlu E, Starkowska A, Łasica A, Unlu CG, Uśpieński T, Niewiadomski P, Bartosik D, Trzaskowski B, Ocakoglu K, Kargul J*
Biolectrochemistry, 140, 107818
Development of a universal conductive platform for anchoring photo- and electroactive proteins using organometallic terpyridine molecular wires
Jacquet M, Izzo M, Osella S, Kozdra S, Michałowski PP, Gołowicz D, Kazimierczuk K, Gorzkowski MT, Lewera, A, Teodorczyk, M, Trzaskowski B, Jurczakowski R, Gryko DT*, Kargul J*
Nanoscale, 13, 9773 - 9787
Cove-Edged Graphene Nanoribbons with Incorporation of Periodic Zigzag-Edge Segments
Xu Wang, Ji Ma, Wenhao Zheng, Silvio Osella, Nicolás Arisnabarreta, Jörn Droste, Gianluca Serra, Oleksandr Ivasenko, Andrea Lucotti, David Beljonne, Mischa Bonn, Xiangyang Liu, Michael Ryan Hansen, Matteo Tommasini, Steven De Feyter, Junzhi Liu, Hai I. Wang, and Xinliang Feng
J. Am. Chem. Soc. 2022, 144, 1, 228–235
Electrochemical Deposition of a Single-Crystalline Nanorod Polycyclic Aromatic Hydrocarbon Film with Efficient Charge and Exciton Transport
Dr. Cheng Zeng, Dr. Wenhao Zheng, Prof. Dr. Hong Xu, Dr. Silvio Osella, Dr. Wei Ma, Dr. Hai I. Wang, Dr. Zijie Qiu, Dr. Ken-ichi Otake, Prof. Dr. Wencai Ren, Prof. Dr. Huiming Cheng, Prof. Dr. Klaus Müllen, Prof. Dr. Mischa Bonn, Prof. Dr. Cheng Gu, Prof. Dr. Yuguang Ma
Angew. Chem. Int. Ed.
Design Principles and Insights into the Liquid-Phase Exfoliation of Alpha-MoO3 for the Production of Colloidal 2D Nano-inks in Green Solvents
Matteo Crisci, Paolo Dolcet, Jijin Yang, Marco Salerno, Péter Bélteky, Ákos Kukovecz, Francesco Lamberti, Stefano Agnoli, Silvio Osella, Silvia Gross, and Teresa Gatti
Journal of Physical Chemistry C, 126, 1, 404
Lighting-up nanocarbons through hybridization: optoelectronic properties and perspectives
Silvio Osellaa, Mengjiao Wang, Enzo Menna ,Teresa Gatti
Optical Materials: X 12, 100100
Challenges for Incorporating Optical Switchability in Organic-Based Electronic Devices
Valentin Diez Cabanes, Colin Van Dyck, Silvio Osella, David Cornil, Jérôme Cornil
ACS Appl. Mater. Interfaces, 13, 27737–27748
Synthesis of Nonplanar Graphene Nanoribbon with Fjord Edges
Xuelin Yao, Wenhao Zheng, Silvio Osella, Zijie Qiu, Shuai Fu, Dieter Schollmeyer, Beate Müller, David Beljonne, Mischa Bonn, Hai I. Wang, Klaus Müllen, and Akimitsu Narita
Journal of the American Chemical Society, 143, 15, 5654–5658
The influence of lipid membranes on fluorescent probes’ optical properties
Silvio Osella, Stefan Knippenberg
Biochimica et Biophysica Acta (BBA) - Biomembranes, Volume 1863, Issue 2, 183494
Design, Synthesis and Biological Evaluation of a Series of 5- and 7-hydroxycoumarin Derivatives as 5-HT1A Serotonin Receptor Antagonists
Kinga Ostrowska, Anna Leśniak, Zuzanna Czarnocka, Jagoda Chmiel, Magdalena Bujalska-Zadrożny, Bartosz Trzaskowski
Pharmaceuticals, 2021, 14(3), 179
Superseding ß-Diketiminato Ligands: An Amido Imidazoline-2-Imine Ligand Stabilizes the Exhaustive Series of B=X Boranes (X = O, S, Se, Te)
Hadi Dolati, Lars Denker, Dr. Bartosz Trzaskowski ,Dr. René Frank
Angew. Chem. Int. Ed, Volume 60, Issue 9, pages 4633-4639
SARS-CoV-2 Papain-Like Protease Potential Inhibitors—In Silico Quantitative Assessment.
Adam Stasiulewicz, Alicja W. Maksymiuk, Mai Lan Nguyen, Barbara Bełza, Joanna I. Sulkowska
International journal of molecular sciences, 22(8), 3957
Disentangling the role of solvent polarity and protein solvation in folding and self-assembly of α-lactalbumin
Bucciarelli, S., Sayedi, E. S., Osella, S., Trzaskowski, B., Vissing, K. J., Vestergaard, B., & Foderà, V.
Journal of colloid and interface science
Push/pull effect as driving force for different optical response of azobenzene in a biological environment
Knippenberg, S., & Osella, S.
The Journal of Physical Chemistry C, 124(15), 8310-8322
Influence of membrane phase on the optical properties of DPH
Osella, S., Paloncýová, M., Sahi, M., & Knippenberg, S.
Molecules, 25(18), 4264
A Curved Graphene Nanoribbon with Multi-Edge Structure and High Intrinsic Charge Carrier Mobility
Niu, W., Ma, J., Soltani, P., Zheng, W., Liu, F., Popov, A. A., ... & Mai, Y.
Journal of the American Chemical Society, 142(43), 18293-18298
Experimental Observation of Strong Exciton Effects in Graphene Nanoribbons
Tries, A., Osella, S., Zhang, P., Xu, F., Ramanan, C., Kläui, M., ... & Wang, H. I.
Nano letters, 20(5), 2993-3002
Sterically tuned N-heterocyclic carbene ligands for the efficient formation of hindered products in Ru-catalyzed olefin metathesis
Planer, S., Małecki, P., Trzaskowski, B., Kajetanowicz, A., & Grela, K.
ACS catalysis, 10(19), 11394-11404
Decomposition of ruthenium olefin metathesis catalyst; a review
Jawiczuk, M., Marczyk, A., & Trzaskowski, B.
Catalysts, 10(8), 887
Impact of the Carbene Derivative Charge on the Decomposition Rates of Hoveyda-Grubbs-Like Metathesis Catalysts
Jawiczuk, M., Marczyk, A., Młodzikowska-Pieńko, K., & Trzaskowski, B.
The Journal of Physical Chemistry A, 124(30), 6158-6167
Impact of the olefin structure on the catalytic cycle and decomposition rates of Hoveyda-Grubbs metathesis catalyst
Jawiczuk, M., Młodzikowska-Pieńko, K., & Trzaskowski, B.
Physical Chemistry Chemical Physics, 22(23), 13062-13069
6-Acetyl-5-hydroxy-4,7-dimethylcoumarin derivatives: Design, synthesis, modeling studies, 5-HT1A, 5-HT2A and D2 receptors affinity
Ostrowska, K., Leśniak, A., Karczyńska, U., Jeleniewicz, P., Głuch-Lutwin, M., Mordyl, B., ... & Bujalska-Zadrożny, M.
Bioorganic chemistry, 100, 103912
Rate-Limiting Steps in the Intramolecular C-H Activation of Ruthenium N-Heterocyclic Carbene Complexes
Młodzikowska-Pieńko, K., & Trzaskowski, B.
The Journal of Physical Chemistry A, 124(18), 3609-3617
The anti-inflammatory potential of cefazolin as common gamma chain cytokine inhibitor
Żyżyńska-Granica, B., Trzaskowski, B., Dutkiewicz, M., Zegrocka-Stendel, O., Machcińska, M., Bocian, K., ... & Koziak, K.
Scientific reports, 10(1), 1-12
Synthesis and anti–tumour and immunomodulating activities of diosgenin and tigogenin conjugates
Michalak, O., Krzeczyński, P., Cieślak, M., Cmoch, P., Cybulski, M., Krolewska-Golińska, K., ... & Ostrowska, K.
The Journal of steroid biochemistry and molecular biology, 198, 105573
Molecular modelling of mechanisms of decomposition of ruthenium metathesis catalysts by acrylonitrile
Jawiczuk, M., Młodzikowska-Pieńko, K., Osella, S., & Trzaskowski, B.
Organometallics, 39(2), 239-246
Specialized Ruthenium Olefin Metathesis Catalysts Bearing Bulky Unsymmetrical NHC Ligands: Computations, Synthesis and Application
Małecki, P., Gajda, K., Gajda, R., Woźniak, K., Trzaskowski, B., Kajetanowicz, A., & Grela, K. (2019).
ACS Catalysis, 9(1), 587-598
Ruthenium-Catalysed Olefin Metathesis in Environmentally Friendly Solvents: 2-Methyltetrahydrofuran Case Revisited
Smoleń, M., Marczyk, A., Kośnik, W., Trzaskowski, B., Kajetanowicz, A., & Grela, K. (2019).
European Journal of Organic Chemistry, 2019(4), 640-646
2-Methyltetrahydrofurane as a solvent of choice for spontaneous metathesis/isomerization sequence
Rajkiewicz, A. A., Skowerski, K., Trzaskowski, B., Kajetanowicz, A., & Grela, K. (2019).
ACS Omega, 4(1), 1831-1837
Role of Metal Centers in Tuning the Electronic Properties of Graphene-Based Conductive Interfaces
Osella, S., Kiliszek, M., Harputlu, E., Unlu, C. G., Ocakoglu, K., Trzaskowski, B., & Kargul, J. (2019).
The Journal of Physical Chemistry C, 123(14), 8623-8632
Modeling of Membrane Proteins
Dorota Latek, Bartosz Trzaskowski, Szymon Niewieczerzał, Przemysław Miszta, Krzysztof Młynarczyk, Aleksander Dębiński, Wojciech Puławski, Shuguang Yuan, Agnieszka Sztyler, Urszula Orzeł, Jakub Jakowiecki, Sławomir Filipek
Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes
Azoliniums, Adducts, NHCs and Azomethine Ylides: Divergence in Wanzlick Equilibrium and Olefin Metathesis Catalyst Formation
Jolly, P. I., Marczyk, A., Małecki, P., Ablialimov, O., Trzybiński, D., Woźniak, K., ... & Grela, K. (2018).
Chemistry-A European Journal.
Efficient glycosylation of natural Danshensu and its enantiomer by sugar and 2-deoxy sugar donors
Sidoryk, K., Cmoch, P., Świtalska, M., Trzaskowski, B., Wietrzyk, J., & Cybulski, M. (2018).
Carbohydrate research, 460, 19-28.
5-HT1A and 5-HT2A receptors affinity, docking studies and pharmacological evaluation of a series of 8-acetyl-7-hydroxy-4-methylcoumarin derivatives
Ostrowska, K., Grzeszczuk, D., Głuch-Lutwin, M., Gryboś, A., Siwek, A., Leśniak, A., ... & Trzaskowski, B. (2018).
Bioorganic & medicinal chemistry, 26(2), 527-535.
Controlling the charge transfer flow at the graphene/pyrene-nitrilotriacetic acid interface
Osella S*, Kiliszek M, Harputlu E, Unlu CG, Ocakoglu K, Kargul J*, Trzaskowski B (2018).
J. Mater. Chem. C. 6, 5046-5054
Ruthenium Olefin Metathesis Catalysts Systematically Modified in Chelating Benzylidene Ether Fragment: Experiment and Computations
Grela, K., Zieliński, A., Szczepaniak, G., Gajda, R., Woźniak, K., Trzaskowski, B., ... & Kajetanowicz, A. (2018).
European Journal of Inorganic Chemistry
Energy Level Alignment at Interfaces Between Au (111) and Thiolated Oligophenylenes of Increasing Chain Size: Theoretical Evidence of Pinning Effects
Diez‐Cabanes, V., Gonzalez, S. R., Osella, S., Cornil, D., Van Dyck, C., & Cornil, J. (2018).
Advanced Theory and Simulations, 1(3), 1700020
Probing the M–C NHC Bond and Its Effect on the Synthesis, Structure, and Reactivity of R 2 MOR(NHC) (M = Al, Ga, In) Complexes
Zaremba, R., Dranka, M., Trzaskowski, B., Checinska, L., Horeglad, P.
Organometallics, 37 (24), 4585-4598
Assessing the Charge Transfer at the Cytochrome c 553 /Graphene Interface: A Multiscale Investigation
Kowalska, A. M., Trzaskowski, B., Osella, S. (2018)
The Journal of Physical Chemistry C. 122(51), 29405-29413
The influence of the cationic carbenes on the initiation kinetics of ruthenium-based metathesis catalysts; a DFT study
Jawiczuk, M., Janaszkiewicz, A., Trzaskowski, B. (2018)
Beilstein Journal of Organic Chemistry, 14, 2872-2880
Combining (Non)linear Optical and Fluorescence Analysis of DiD To Enhance Lipid Phase Recognition
Osella, S., Meo, F. D., Murugan, N. A., Fabre, G., Ameloot, M., Trouillas, P., & Knippenberg, S
Journal of Chemical Theory and Computation, 14(10)
A computational study of structures and catalytic activities of Hoveyda-Grubbs analogues bearing coumarin or isopropoxycoumarin moiety
B. Trzaskowski, K. Ostrowska, (2017)
Catalysis Communications, 2017, 91, 43-47 doi:10.1016/j.catcom.2016.12.014
Hoveyda–Grubbs catalyst analogues bearing the derivatives of N-phenylpyrrol in the carbene ligand–structure, stability, activity and unique ruthenium–phenyl interactions
Grudzień, K., Trzaskowski, B., Smoleń, M., Gajda, R., Woźniak, K., & Grela, K. (2017).
Dalton Transactions, 46(35), 11790-11799.
Pharmacophore guided discovery of small-molecule interleukin 15 inhibitors
Żyżyńska-Granica, B., Trzaskowski, B., Niewieczerzał, S., Filipek, S., Zegrocka-Stendel, O., Dutkiewicz, M., Krzeczyński, P., Kowalewska, M. and Koziak, K., (2017).
European journal of medicinal chemistry, 136, 543-547.
Development of selective agents targeting serotonin 5HT 1A receptors with subnanomolar activities based on a coumarin core
Ostrowska, K., Grzeszczuk, D., Głuch-Lutwin, M., Gryboś, A., Siwek, A., & Trzaskowski, B. (2017).
MedChemComm, 8(8), 1690-1696.
Cyclic Alkyl Amino Ruthenium Complexes—Efficient Catalysts for Macrocyclization and Acrylonitrile Cross Metathesis
Gawin, R., Tracz, A., Chwalba, M., Kozakiewicz, A., Trzaskowski, B., & Skowerski, K.
ACS Catalysis, 7(8), 5443-5449.
Geodesic arenes
Trzaskowski, B., Ostrowska, K., & Adamowicz, L. (2016).
Carbon Nanomaterials Sourcebook: Nanoparticles, Nanocapsules, Nanofibers, Nanoporous Structures, and Nanocomposites (pp. 115-139). CRC Press.
Hoveyda-Grubbs complexes with boryl anions are predicted to be fast metathesis catalysts
Trzaskowski, B., & Grela, K. (2016).
Catalysis Communications, 86, 133-138.
Nitrenium ions and trivalent boron ligands as analogues of N-heterocyclic carbenes in olefin metathesis; a computational study
Pazio, A., Woźniak, K., Grela, K., & Trzaskowski, B. (2015)
Dalton Transactions, 44(46), 20021-20026
Conformational flexibility of Hoveyda-type and Grubbs-type complexes bearing acyclic carbenes and its impact on their catalytic properties.
Pazio, A., Woźniak, K., Grela, K., & Trzaskowski, B. (2015).
Organometallics, 34(3), 563-570.
Ligand-and mutation-induced conformational selection in the CCR5 chemokine G protein-coupled receptor.
Abrol, R., Trzaskowski, B., Goddard, W. A., Nesterov, A., Olave, I., & Irons, C. (2014).
Proceedings of the National Academy of Sciences, 111(36), 13040-13045.
SuperBiHelix method for predicting the pleiotropic ensemble of G-protein–coupled receptor conformations.
Bray, J. K., Abrol, R., Goddard, W. A., Trzaskowski, B., & Scott, C. E. (2014).
Proceedings of the National Academy of Sciences, 111(1), E72-E78.
Exploring structures and properties of new geodesic polyarenes.
Trzaskowski, B., Adamowicz, L., Beck, W., Muralidharan, K., & Deymier, P. A. (2014).
Chemical Physics Letters, 595, 6-12.
Selective NaNO 2 recognition by a simple heteroditopic salt receptor based on l-ornithine molecular scaffold.
Romański, J., Trzaskowski, B., & Piątek, P. (2013).
Dalton Transactions, 42(43), 15271-15274.
Impact of Local Curvature and Structural Defects on Graphene–C60 Fullerene Fusion Reaction Barriers.
Trzaskowski, B., Adamowicz, L., Beck, W., Muralidharan, K., & Deymier, P. A. (2013).
The Journal of Physical Chemistry C, 117(38), 19664-19671.
Selective NaNO2 recognition by a simple heteroditopic salt receptor based on L-ornithine molecular scaffold
Romański, J., Trzaskowski, B., & Piątek, P. (2013).
Dalton Transactions, 42(43), 15271-15274
Title Deadline for applications
PhD Student (CeNT-11-2024) 05/04/2024
Postdoc (Adjunct)(CeNT-49.1-2023) 01/03/2024
Research assistant (CeNT-59-2023) 20/01/2024
Postdoc (Senior Assistant)(CeNT-53-2023) 22/12/2023
Postdoc (Adjunct) CeNT-50-2023 22/10/2023
Postdoc (Adjunct) CeNT-49-2023 12/10/2023
Postdoc (Adjunct)(CeNT-3-2023) 15/02/2023
Postdoc (Senior Assistant)(CeNT-62-2022) 04/02/2023
Student (CeNT-60-2022) 31/01/2023
PhD student (CeNT-61-2022) 31/01/2023
Student (CeNT-58-2022) 26/10/2022
PhD Student (CeNT-51-2022) 16/09/2022
Student (CeNT-50-2022) 16/09/2022
Postdoc (Adjunct)(CeNT-38-2022) 29/08/2022
Postdoc (Adjunct)(CeNT-10.2-2022) 20/08/2022
Postdoc (Adjunct)(CeNT-14-2022) 23/05/2022
Postdoc (Adjunct)(CeNT-10-2022 ) 23/05/2022
Researcher (Adjunct)(CeNT-19-2022) 15/05/2022
Student (CeNT-17-2022) 06/05/2022
PhD Student (CeNT-2.1-2022) 30/04/2022
Postdoc (Senior Assistant)(CeNT-3-2022) 15/04/2022
PhD Student (CeNT-2-2022) 15/02/2022
Postdoc (Adjunct) (CeNT-51-2021) 10/12/2021
PhD Student (CeNT-50-2021) 06/12/2021
Student in Chemical and Biological Systems Simulation Laboratory (CeNT-42.1-2021) 15/11/2021
Student in Chemical and Biological Systems Simulation Laboratory 08/10/2021
PhD Student in Chemical and Biological Systems Simulation Laboratory 23/09/2021
Student in Chemical and Biological Systems Simulation Laboratory 10/09/2021
Undergraduate student in Chemical and Biological Systems Simulation Lab 31/07/2021
Postdoc (Adjunct) in the Chemical and Biological Systems Simulation Laboratory 23/04/2021
PhD Student in the Laboratory of Chemical and Biological Systems Simulation 15/04/2021
Postdoc (Adjunct) in the Chemical and Biological Systems Simulation Laboratory 24/02/2021
PhD Student in the Chemical and Biological Systems Simulation Laboratory 24/02/2021
Students in Chemical and Biological Systems Simulation Laboratory 17/02/2021
Postdoc (Adjunct) in the Chemical and Biological Systems Simulation Laboratory 20/11/2020
Student in the Chemical and Biological Systems Simulation Laboratory 09/11/2020
Student in the Chemical and Biological Systems Simulation Laboratory 20/10/2020
Postdoc (Adjunct) in the Chemical and Biological Systems Simulation Laboratory 30/09/2020
Undergraduate Student in the Chemical and Biological Systems Simulation Laboratory 25/09/2020
Undergraduate student in the Laboratory of Chemical and Biological Systems Simulation 05/09/2020
Postdoc (Adjunct) in the Chemical and Biological Systems Simulation Laboratory 23/07/2020
PhD Student in the Chemical and Biological Systems Simulation Laboratory 15/07/2020
Undergraduate student in the Chemical and Biological Systems Simulation Laboratory 15/07/2020
Postdoc (Adjunct) in the Chemical and Biological Systems Simulation Laboratory 10/07/2020
Student in the Chemical and Biological Systems Simulation Laboratory 15/04/2020
Student in the Chemical and Biological Systems Simulation Laboratory 15/04/2020
Undergraduate student in Chemical and Biological Systems Simulation Lab 21/02/2020
Undergraduate student 24/10/2019
PostDoc in Chemical and Biological Systems Simulation Lab 16/09/2019
Undergraduate student in Chemical and Biological Systems Simulation Lab 31/08/2019
Undergraduate student in Chemical and Biological Systems Simulation Lab 30/08/2019
PhD student in Chemical and Biological Systems Simulation Lab 30/08/2019
Undergraduate student in Chemical and Biological Systems Simulation Lab 30/08/2019
PhD student in Chemical and Biological Systems Simulation Lab 30/08/2019
PhD student in Chemical and Biological Systems Simulation Lab 30/08/2019
PostDoc in Chemical and Biological Systems Simulation Lab 30/08/2019
Postdoc in Chemical and Biological Systems Simulation Lab (CeNT) and Organometalic Synthesis Laboratory (CNBCh) 20/06/2019
Undergraduate student in Chemical and Biological Systems Simulation Lab 31/05/2019
PhD student in Organometallic Synthesis Laboratory 23/05/2019
PhD student in Organometallic Synthesis Laboratory 05/05/2019
Undergraduate student in Chemical and Biological Systems Simulation Lab 27/02/2019
Postdoctoral Scholar / Adiunkt naukowy 19/12/2018
Postdoc in Chemical and Biological Systems Simulation Laboratory 30/11/2018
Post-doc to work in the Laboratory of Chemical and Biological Systems Simulation 24/09/2018
Technician to work in Organometallic Synthesis Laboratory 13/08/2018
POST-DOC to work in the Laboratory of Chemical and Biological Systems Simulation 12/08/2018