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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Microscopic model of molecular reorientations and stability of amorphous species of pharmacologically active ingredients

2015/17/B/ST5/00104

Keywords:

amorphous species of pharmacologically active ingredients molecular reorientation stability solubility molecular dynamics

Descriptors:

  • ST5_19:
  • ST5_6: Porous materials, ceramics, glasses

Panel:

ST5 - Materials: materials synthesis, structure-properties relations, advanced and functional materials with designed properties, (macro)molecular architecture, material engineering

Host institution :

Uniwersytet im. Adama Mickiewicza w Poznaniu, Wydział Fizyki

woj. wielkopolskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Jan Wąsicki 

Number of co-investigators in the project: 6

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

Amount awarded: 529 400 PLN

Project start date (Y-m-d): 2016-01-21

Project end date (Y-m-d): 2019-01-20

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. suszarka rozpyłowa (195 000 PLN)
  2. wysokostabilne żródło prądowe dużej mocy z jądrową stabilizacją pola magnetycznego (20 000 PLN)
  3. Kriostat helowy (19 926 PLN)

Information in the final report

  • Publication in academic press/journals (10)
  1. Molecular Dynamics Simulations of Nimodipine Confined in an Ordered Mesoporous Silica Matrix
    Authors:
    A.Pajzderska, M. A. Gonzalez, and J. Wąsicki
    Academic press:
    J. Phys. Chem. C (rok: 2018, tom: 122, strony: 9552−9561), Wydawca: ACS
    Status:
    Published
    DOI:
    10.1021/acs.jpcc.8b02048 - link to the publication
  2. Molecular dynamics and the dissolution rate of nifedipine encapsulated in mesoporous silica
    Authors:
    Anna Kiwilsza, Bartłomiej Milanowski, Kacper Drużbicki, Jacek Jenczyk, Marcin Jarek, Jadwiga Mielcarek, Janina Lulek, Aleksandra Pajzderska, Jan Wasicki
    Academic press:
    Microporous and Mesoporous Materials (rok: 2017, tom: 5, strony: 186-194), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.micromeso.2017.05.019 - link to the publication
  3. Analysis of the Distribution of Energy Barriers in Amorphous Diazepam on the Basis of Computationally Supported NMR Relaxation Data
    Authors:
    A. Pajzderska, M. Jarek, J. Mielcarek, J. Wasicki
    Academic press:
    J. Phys. Chem. B (rok: 2016, tom: 120, strony: 10723), Wydawca: ACS
    Status:
    Published
    DOI:
    10.1021/acs.jpcb.6b08482 - link to the publication
  4. Diversity of methyl group dynamics in felodipine: a DFT supported NMR and QENS
    Authors:
    Aleksandra Pajzderska, Kacper Drużbicki, Miguel Angel Gonzalez, Jacek Jenczyk, Jadwiga Mielcarek and Jan Wąsicki
    Academic press:
    CrystEngComm (rok: 2018, tom: 20, strony: 7371), Wydawca: RSC
    Status:
    Published
    DOI:
    10.1039/c8ce01605d - link to the publication
  5. Dynamics of an amorphous pharmacologically active compound - diazepam: A QENS study combined with molecular dynamics simulations
    Authors:
    Aleksandra Pajzderska, Miguel A. Gonzalez, Jan P. Embs, Jadwiga Mielcarek, Jan W. Wasicki
    Academic press:
    RSC Advances (rok: 2017, tom: 7, strony: 35504 - 35515), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C7RA06133A - link to the publication
  6. Elucidating the Structure of Ranitidine Hydrochloride Form II: Insights from Solid-State Spectroscopy and Ab Initio Simulations
    Authors:
    Kacper Drużbicki, Aleksandra Pajzderska, Dorota Chudoba, Jacek Jenczyk, Marcin Jarek, Jadwiga Mielcarek, and Jan Wa̧sicki
    Academic press:
    Cryst. Growth Des. (rok: 2018, tom: 18, strony: 4671−4681), Wydawca: RSC
    Status:
    Published
    DOI:
    10.1021/acs.cgd.8b00639 - link to the publication
  7. NMR relaxometry in investigation of the kinetics of recrystallization of felodipine
    Authors:
    A. Pajzderska, Z. Fojud, M. Jarek, J. Wąsicki
    Academic press:
    Powder Technology (rok: 2019, tom: 347, strony: 45-51), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.powtec.2019.02.041 - link to the publication
  8. On the molecular dynamics in long-acting calcium channel blocker lacidipine: solid-state NMR, neutron scattering and periodic DFT study
    Authors:
    Aleksandra Pajzderska, Kacper Druzbicki, Anna Kiwilsza, Miguel A. Gonzalez, Jacek Jenczyk, Stefan Jurga, Jadwiga Mielcarek, Jan Wasicki
    Academic press:
    RSC ADVANCES (rok: 2016, tom: 6, strony: 66617), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/c6ra07117a - link to the publication
  9. Dynamical properties of nimodipine molecules confined in SBA-15 matrix
    Authors:
    Anna Kiwilsza, Aleksandra Pajzderska, Jadwiga Mielcarek, Jacek Jenczyk, Jan Wasicki
    Academic press:
    CHEMICAL PHYSICS (rok: 2016, tom: 475, strony: 126), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.chemphys.2016.06.020 - link to the publication
  10. Molecular and Vibrational Dynamics in the Cholesterol-Lowering Agent Lovastatin: Solid-State NMR, Inelastic Neutron Scattering, and Periodic DFT Study
    Authors:
    Paweł Bilski, Kacper Drużbicki, Jacek Jenczyk, Jadwiga Mielcarek, and Jan Wasicki
    Academic press:
    J. Phys. Chem. B (rok: 2017, tom: 121, strony: 2776-2787), Wydawca: ACS
    Status:
    Published
    DOI:
    10.1021/acs.jpcb.7b01090 - link to the publication

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