Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

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Computer aided design and prediction of properties of drug delivery systems based on carbon nanotubes architecture

2012/07/E/ST4/00763

Keywords:

carbon nanotubes magnetic nanoparticles dyes colloid nanoparticles drug delivery adsorption molecular modelling

Descriptors:

  • ST4_2: Spectroscopic and spectrometric techniques
  • ST4_4: Theoretical and computational chemistry
  • 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 PAN

woj. małopolskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr hab. Tomasz Pańczyk 

Number of co-investigators in the project: 3

Call: SONATA BIS 2 - announced on 2012-09-15

Amount awarded: 1 051 600 PLN

Project start date (Y-m-d): 2013-06-26

Project end date (Y-m-d): 2017-06-25

Project duration:: 48 months (the same as in the proposal)

Project status: Project settled

Equipment purchased [PL]

  1. Drukarka (2 000 PLN)
  2. Komputer stacjonarny z monitorem.
  3. Stacje robocze (laptopy) (9 000 PLN)
  4. Urządzenie klimatyzacyjne.
  5. Zasilacz UPS dużej mocy (8 000 PLN)
  6. Szafa montażowa (10 000 PLN)
  7. Zasilacz UPS.
  8. Superkomputery obliczeniowe (162 000 PLN)

Information in the final report

  • Publication in academic press/journals (9)
  • Book publications / chapters in book publications (1)
  1. Co-Adsorption of Doxorubicin and Selected Dyes on Carbon Nanotubes. Theoretical Investigation of Potential Application as pH Controlled Drug Delivery System
    Authors:
    Panczyk,T.; Wolski, P.; Lajtar, L.
    Academic press:
    Langmuir (rok: 2016, tom: 32, strony: 4719-4728), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.langmuir.6b00296 - link to the publication
  2. Molecular dynamics study of Congo red interaction with carbon nanotubes
    Authors:
    Panczyk T., Wolski P., Jagusiak A., Drach M.
    Academic press:
    RSC Advances (rok: 2014, tom: 4, strony: 47304-47312), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C4RA06806H - link to the publication
  3. Pegylated and folic acid functionalized carbon nanotube as the pH controlled carrier of doxorubicin. Molecular dynamics analysis of the stability and drug release mechanism
    Authors:
    Wolski, P.; Nieszporek, K,; Panczyk, T.
    Academic press:
    Physical Chemistry Chemical Physics (rok: 2017, tom: 19, strony: 9300-9312), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/c7cp00702g - link to the publication
  4. Sidewall Functionalization of Carbon Nanotubes as a Method of Controlling Structural Transformations of the Magnetically Triggered Nanocontiner. A Molecular Dynamics Study
    Authors:
    Panczyk T., Wolski P., Konczak L., Narkiewicz-Michalek J.
    Academic press:
    Journal of Physical Chemistry C (rok: 2015, tom: 119, strony: 8373-8381), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpcc.5b01155 - link to the publication
  5. Corking and Uncorking Carbon Nanotubes by Metal Nanoparticles Bearing pH-Cleavable Hydrazone Linkers. Theoretical Analysis Based on Molecular Dynamics Simulations
    Authors:
    Panczyk, T.;, Konczak, Ł. Narkiewicz-Michałek, J.; Pastorin, G.
    Academic press:
    Journal of Physical Chemistry C (rok: 2016, tom: 120, strony: 639-649), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpcc.5b08383 - link to the publication
  6. Molecular Dynamics Modeling of the Encapsulation and De-Encapsulation of the Carmustine Anticancer Drug in the Inner Volume of a Carbon Nanotube
    Authors:
    Wolski, P.; Narkiewicz-Michalek, J.; Panczyk, M.; Pastorin, G.; Panczyk, T.
    Academic press:
    Journal of Physical Chemistry C (rok: 2017, tom: 121, strony: 18922−18934), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpcc.7b05229 - link to the publication
  7. Effects of intermolecular interactions on the stability of carbon nanotube–gold nanoparticle conjugates in solution
    Authors:
    Konczak, L.; Narkiewicz-Michalek, J.; Pastorin, G.; Panczyk, T.
    Academic press:
    International Journal of Nanomedicine (rok: 2016, tom: 11, strony: 5837—5849), Wydawca: Dove Medical Press
    Status:
    Published
    DOI:
    10.2147/IJN.S117858 - link to the publication
  8. Molecular dynamics simulations of proton transverse relaxation times in suspensions of magnetic nanoparticles
    Authors:
    Panczyk, T., Konczak, L,, Zapotoczny Sz., Szabelski P., Nowakowska M,
    Academic press:
    Journal of Colloid and Interface Science (rok: 2015, tom: 437, strony: 187-196), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.jcis.2014.08.066 - link to the publication
  9. Multimodal, pH sensitive and magnetically assisted carrier of doxorubicin designed and analyzed by means of computer simulations
    Authors:
    Wolski, P.; Nieszporek, K.; Panczyk, T.
    Academic press:
    Langmuir (rok: 2018, tom: 34, strony: 2543−2550), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.langmuir.7b04211 - link to the publication
  1. COLLOID NANOPARTICLES AND CARBON NANOTUBES. WHAT CAN WE LEARN ABOUT THEIR BIOMEDICAL APPLICATION FROM MOLECULAR DYNAMICS SIMULATIONS?
    Authors:
    Panczyk, T.; Konczak, L.; Wolski, P.
    Book:
    Modern Problems of Molecular Physics (rok: 2018, tom: 197, strony: 23-37), Wydawca: Springer
    Status:
    Published
    DOI:
    link to the publication

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