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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Studies of the interactions of carbon nanotubes with telomeric DNA by means of the molecular dynamics simulations

2017/27/B/ST4/00108

Keywords:

carbon nanotube DNA telomere i-motif adsorption drug delivery molecular dynamics

Descriptors:

  • ST4_5: Analytical chemistry
  • ST4_13: Solid-state chemistry, surface physicochemistry
  • ST4_15: Colloid chemistry

Panel:

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

Host institution :

Instytut Katalizy i Fizykochemii Powierzchni im. Jerzego Habera Polskiej Akademii Nauk

woj. małopolskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Tomasz Pańczyk 

Number of co-investigators in the project: 4

Call: OPUS 14 - announced on 2017-09-15

Amount awarded: 803 240 PLN

Project start date (Y-m-d): 2018-06-29

Project end date (Y-m-d): 2021-12-28

Project duration:: 42 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. Serwery obliczeniowe (80 000 PLN)
  2. Serwer obliczeniowy GPU (14 589 PLN)

Information in the final report

  • Publication in academic press/journals (8)
  1. G-Quadruplex and I-Motif Structures within the Telomeric DNA Duplex. A Molecular Dynamics Analysis of Protonation States as Factors Affecting Their Stability
    Authors:
    Wolski P., Nieszporek K., Panczyk T
    Academic press:
    Journal of Physical Chemistry B (rok: 2019, tom: 123, strony: 468-479), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpcb.8b11547 - link to the publication
  2. Mechanism of unfolding and relative stabilities of G-quadruplex and I-motif noncanonical DNA structures analyzed in biased molecular dynamics simulations
    Authors:
    Panczyk T., Wojton P., Wolski P.
    Academic press:
    Biophysical Chemistry (rok: 2019, tom: 250, strony: 106173), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.bpc.2019.106173 - link to the publication
  3. Carbon Nanotubes and Short Cytosine-Rich Telomeric DNA Oligomeres as Platforms for Controlled Release of Doxorubicin—A Molecular Dynamics Study
    Authors:
    Pawel Wolski, Krzysztof Nieszporek, Tomasz Panczyk
    Academic press:
    International Journal of Molecular Sciences (rok: 2020, tom: 21, strony: 3619), Wydawca: MDPI
    Status:
    Published
    DOI:
    10.3390/ijms21103619 - link to the publication
  4. Cytosine-rich dna fragments covalently bound to carbon nanotube as factors triggering doxorubicin release at acidic ph. A molecular dynamics study
    Authors:
    P. Wolski, K. Nieszporek, T. Pańczyk
    Academic press:
    International Journal of Molecular Sciences (rok: 2021, tom: 22, strony: 8466), Wydawca: MDPI
    Status:
    Published
    DOI:
    10.3390/ijms22168466 - link to the publication
  5. Protonation of Cytosine-Rich Telomeric DNA Fragments by Carboxylated Carbon Nanotubes: Insights from Computational Studies
    Authors:
    P. Wojtoń, P. Wolski, K. Woliński,T. Pańczyk
    Academic press:
    Journal of Physical Chemistry B (rok: 2021, tom: 125, strony: 5526-5536), Wydawca: ACS
    Status:
    Published
    DOI:
    10.1021/acs.jpcb.1c01393 - link to the publication
  6. Interaction of Human Telomeric i-Motif DNA with Single-Walled Carbon Nanotubes: Insights from Molecular Dynamics Simulations
    Authors:
    Wolski P., Wojton P., Nieszporek K., Panczyk T.
    Academic press:
    Journal of Physical Chemistry B (rok: 2019, tom: 123, strony: 10343-10353), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpcb.9b07292 - link to the publication
  7. Molecular Dynamics Study of the Interaction of Carbon Nanotubes with Telomeric DNA Fragment Containing Noncanonical G-Quadruplex and i-Motif Forms
    Authors:
    Tomasz Panczyk, Patrycja Wojton,Pawel Wolski
    Academic press:
    International Journal of Molecular Sciences (rok: 2020, tom: 21, strony: 1925), Wydawca: MDPI
    Status:
    Published
    DOI:
    10.3390/ijms21061925 - link to the publication
  8. Regulation of Water Access, Storage, Separation and Release of Drugs from the Carbon Nanotube Functionalized by Cytosine Rich DNA Fragments
    Authors:
    Pawel Wolski , Krzysztof Nieszporek, Tomasz Panczyk
    Academic press:
    Materials Science & Engineering C , Wydawca: Elsevier
    Status:
    Submitted
    DOI:
    brak - link to the publication

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