Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

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Mechanism of methyl transfer reactions catalyzed by vitamin B12-dependent methyltransferases

2015/17/B/ST4/03733

Keywords:

methyl transfer methylcobalamin Co-C bond quantum-chemical calculations combined QM/MM calculations enzymatic catalysis

Descriptors:

  • ST4_15: Colloid chemistry
  • ST4_13: Solid-state chemistry, surface physicochemistry

Panel:

ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development

Host institution :

Gdański Uniwersytet Medyczny, Wydział Farmaceutyczny z Oddziałem Medycyny Laboratoryjnej

woj. pomorskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr Pawel Kozlowski 

Number of co-investigators in the project: 4

Call: OPUS 9 - announced on 2015-03-16

Amount awarded: 412 600 PLN

Project start date (Y-m-d): 2016-02-26

Project end date (Y-m-d): 2019-02-25

Project duration:: 36 months (the same as in the proposal)

Project status: Project settled

Project description

Download the project description in a pdf file

Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.

Equipment purchased [PL]

  1. Stacjonarny komputer (2 szt.) (10 000 PLN)
  2. Przenośny komputer.

Information in the final report

  • Publication in academic press/journals (13)
  1. Elucidating the mechanism of alkylation reaction involving cob(I)alamin by alkyl halide: SN2 or radical mechanism?
    Authors:
    A. P. Ghosh, P. Lodowski, A. Chmielewska, M. Jaworska, P. M. Kozlowski
    Academic press:
    Journal of Catalysis (rok: 2019, tom: 376, strony: 32-43), Wydawca: Elsevier
    Status:
    Published
    DOI:
    0.1016/j.jcat.2019.06.036 - link to the publication
  2. Ultrafast X-Ray Absorption Near Edge Structure Reveals Ballistic Excited State Structural Dynamics
    Authors:
    4.N. A. Miller, A. Deb, R. Alonso-Mori, J. M. Glownia, L. M. Kiefer, A. Konar, L. B. Michocki, M. Sikorski, D. L. Sofferman, S. Song, M. J. Toda, T. E. Wiley, D. Zhu, P. M. Kozlowski, K. J. Kubarych, J. E. Penner-Hahn, R. J. Sension
    Academic press:
    Journal of Physical Chemistry A (rok: 2018, tom: 122, strony: 4963-4971), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpca.8b04223 - link to the publication
  3. Mechanism of the Photo-induced Activation of Co-C Bond in Methylcobalamin-Dependent Methionine Synthase
    Authors:
    A. P. Ghosh, A. Al Mamun, P. Lodowski, M. Jaworska, P. M. Kozlowski
    Academic press:
    Journal of Photochemistry and Photobiology B (rok: 2018, tom: 189, strony: 306-317), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.jphotobiol.2018.09.015 - link to the publication
  4. Mechanistic Implications of Co-C Bond Cleavage in B12-Dependent Methylmalonyl CoA Mutase
    Authors:
    N. Kumar, D. Bucher, P. M. Kozlowski
    Academic press:
    Journal of Physical Chemistry B (rok: 2019, tom: 123, strony: 2210-2216), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpcb.8b10820 - link to the publication
  5. Methyl transfer reactions catalyzed by cobalamin-dependent enzymes: Insight from molecular docking
    Authors:
    S. Malinowski, A. P. Ghosh, S. Edwards, J. Jaroszyńska-Wolińska, P. M. Kozlowski
    Academic press:
    Journal of Molecular Graphics and Modeling (rok: 2021, tom: 104, strony: 107831), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.jmgm.2020.107831 - link to the publication
  6. Mechanism of Light Induced Radical Pair Formation in Coenzyme B12-Dependent Ethanolamine Ammonia-Lyase
    Authors:
    A. Al Mamun, M. J. Toda, P. Lodowski, M. Jaworska, P. M. Kozlowski
    Academic press:
    ACS Catalysis (rok: 2018, tom: 8, strony: 7164-7178), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acscatal.8b00120 - link to the publication
  7. Photodissociation of ethylphenylcobalamin antivitamin B12
    Authors:
    Piotr Lodowski Karolina Ciura Megan J. Toda Maria Jaworska Pawel M. Kozlowski
    Academic press:
    Physical Chemistry Chemical Physics (rok: 2017, tom: 19, strony: 30310-30315), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C7CP06589B - link to the publication
  8. Can Photolysis of the Co-C Bond in Coenzyme B12-dependent Enzymes be Used to Mimic the Native Reaction?
    Authors:
    A. Al Mamun, M. J. Toda, P. M. Kozlowski
    Academic press:
    Journal of Photochemistry and Photobiology B (rok: 2019, tom: 191, strony: 175-184), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.jphotobiol.2018.12.018 - link to the publication
  9. Electronic and structural properties of Cob(I)alamin: Ramifications for B12-dependent processes
    Authors:
    M. Kumar and P. M. Kozlowski
    Academic press:
    Coordination Chemistry Reviews (rok: 2017, tom: 333, strony: 71-81), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.ccr.2016.11.010 - link to the publication
  10. Mercury Methylation by Cobalt Corrinoids: Relativistic Effects Dictate the Reaction Mechanism
    Authors:
    T. B. Demissie, B. D. Garabato, K. Ruud, and P. M. Kozlowski
    Academic press:
    Angewandte Chemie International Edition (rok: 2016, tom: 55, strony: 11503-11506), Wydawca: Wiley-VCH Verlag GmbH & Co.
    Status:
    Published
    DOI:
    10.1002/anie.201606001 - link to the publication
  11. Off to the races: Comparison of excited state dynamics in vitamin B12 derivatives hydroxobobalmin and aquocobalamin
    Authors:
    T. E. Wiley, N A. Miller, W. R. Miller, D. Sofferman, P. Lodowski, M. J. Toda, M. Jaworska, P. M. Kozlowski, R. J. Sension
    Academic press:
    Journal of Physical Chemistry A (rok: 2018, tom: 122, strony: 6693-6703), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpca.8b06103 - link to the publication
  12. Photolytic Cleavage of Co-C Bond in Coenzyme B12-Dependent Glutamate Mutase
    Authors:
    A. Al Mamun, M. J. Toda, P. Lodowski, M. Jaworska, P. M. Kozlowski
    Academic press:
    Journal of Physical Chemistry B (rok: 2019, tom: 123, strony: 2585-2598), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpcb.8b07547 - link to the publication
  13. Photolytic Properties of Antivitamins B12
    Authors:
    P. Lodowski, M. J. Toda, K. Ciura, M. Jaworska, P. M. Kozlowski,
    Academic press:
    Inorganic Chemistry (rok: 2018, tom: 57, strony: 7164-7178), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.inorgchem.8b00956 - link to the publication

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