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

2015/17/B/ST5/00104

Keywords

Descriptors

  • ST5_19: Metody badań właściwości materiałów
  • ST5_6: Materiały porowate

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

Voivodeship: wielkopolskie

Other projects carried out by the institution »

Principal investigator (from the host institution)

prof. Jan Wojciech 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
2016-01-21
Project end date
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. Kriostat helowy. Cost: 19 926 PLN
  2. suszarka rozpyłowa. Cost: 195 000 PLN
  3. wysokostabilne żródło prądowe dużej mocy z jądrową stabilizacją pola magnetycznego. Cost: 20 000 PLN

Information in the final report

Publication in academic press/journals (10)

  1. 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 (year: 2016, volume: 6, pages: 66617), Publisher: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/c6ra07117a – link to the publication

  2. 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 (year: 2016, volume: 475, pages: 126), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.chemphys.2016.06.020 – 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 (year: 2016, volume: 120, pages: 10723), Publisher: ACS
    Status:
    Published
    DOI:
    10.1021/acs.jpcb.6b08482 – link to the publication

  4. 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 (year: 2017, volume: 121, pages: 2776-2787), Publisher: ACS
    Status:
    Published
    DOI:
    10.1021/acs.jpcb.7b01090 – link to the publication

  5. 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 (year: 2017, volume: 5, pages: 186-194), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.micromeso.2017.05.019 – link to the publication

  6. NMR relaxometry in investigation of the kinetics of recrystallization of felodipine

    Authors:
    A. Pajzderska, Z. Fojud, M. Jarek, J. Wąsicki
    Academic press:
    Powder Technology (year: 2019, volume: 347, pages: 45-51), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.powtec.2019.02.041 – link to the publication

  7. 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. (year: 2018, volume: 18, pages: 4671−4681), Publisher: RSC
    Status:
    Published
    DOI:
    10.1021/acs.cgd.8b00639 – link to the publication

  8. 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 (year: 2018, volume: 122, pages: 9552−9561), Publisher: ACS
    Status:
    Published
    DOI:
    10.1021/acs.jpcc.8b02048 – link to the publication

  9. 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 (year: 2017, volume: 7, pages: 35504 - 35515), Publisher: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C7RA06133A – link to the publication

  10. 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 (year: 2018, volume: 20, pages: 7371), Publisher: RSC
    Status:
    Published
    DOI:
    10.1039/c8ce01605d – link to the publication

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Graphic design and implementation: Jakub Piotrowski