Projects funded by the NCN


Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

Delete all

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