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Molecular dynamics of different polymorphous of pharmacologically active substances

2012/05/B/ST3/03176

Keywords

Descriptors

  • ST3_6: Dynamika sieci krystalicznych
  • ST3_18: Przejścia fazowe, równowaga faz

Panel

ST3 – Condensed matter physics: structure, electronic properties, fluids, nanosciences, biological physics

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 3 – announced on 2012-03-15

Amount awarded
535 900 PLN
Project start date
2013-02-08
Project end date
2016-02-07
Project duration
36 months (the same as in the proposal)
Project status
Project settled

Equipment purchased [PL]

  1. Dewar helowy 60 litrów. Cost: 35 000 PLN
  2. Głowica pomiarowa z układem chłodzenia do spektrometru MRJ. Cost: 25 000 PLN
  3. Kriostat helowy.
  4. Układ nadawczo-odbiorczy do spektrometru MRJ 25 MHz. Cost: 29 999 PLN

Information in the final report

Publication in academic press/journals (10)

  1. QENS and NMR Study of Water Dynamics in SBA-15 with a Low Water Content

    Authors:
    Anna Kiwilsza, Aleksandra Pajzderska, Miguel Angle Gonzalez, Jadwiga Mielcarek, and Jan Wasicki
    Academic press:
    J. Phys. Chem. C (year: 2015, volume: 119, pages: 16578–16586), Publisher: ACS
    Status:
    Published
    DOI:
    10.1021/acs.jpcc.5b02672 – link to the publication

  2. On the Relaxation Dynamics in Active Pharmaceutical Ingredients: Solid-State 1H NMR, Quasi-Elastic Neutron Scattering and Periodic DFT Study of Acebutolol Hydrochloride

    Authors:
    Aleksandra Pajzderska, Kacper Druzbicki, Anna Kiwilsza, Miguel Angel Gonzalez, Marcin Jarek, Jadwiga Mielcarek and Jan Wasicki
    Academic press:
    RSC Advances (year: 2015, volume: 5, pages: 57502-57514), Publisher: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C5RA08937A – link to the publication

  3. In search of the mutual relationship between the structure, solid-state spectroscopy and molecular dynamics in selected calcium channel blockers

    Authors:
    Kacper Drużbicki, Aleksandra Pajzderska, Anna Kiwilsza, Jacek Jenczyk, Dorota Chudoba, Marcin Jarek, Jadwiga Mielcarek, Jan Wąsicki
    Academic press:
    European Journal of Pharmaceutical Sciences (year: 2016, volume: 31, pages: 68-83), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.ejps.2016.01.024 – link to the publication

  4. The Pressure-Induced Polymorphic Transformations in Fluconazole

    Authors:
    E.A. Gorkovenko, S. E. Kichanov, D. P. Kozlenko, A. V. Belushkin, J. Wasicki, W. Nawrocik, J. Mielcarek, L. S. Dubrovinsky, Ch. Lathe, B. N. Savenko
    Academic press:
    Journal of Pharmaceutical Sciences (year: 2015, volume: 104, pages: 4164-4169), Publisher: Wiley
    Status:
    Published
    DOI:
    10.1002/jps.24644 – link to the publication

  5. Computationally Assisted (Solid-State DFT) Structural (X-Ray) and Vibrational Spectroscopy (FT-IR, FT-RS, TDs-THz) Characterization of the Cardiovascular Drug – Lacidipine

    Authors:
    K. Drużbicki, J. Mielcarek, A. Kiwilsza, L. Toupet, E. Collet, A. Pajzderska, J. Wasicki
    Academic press:
    Crystal Growth & Design (year: 2015, volume: 15, pages: 2817–2830), Publisher: ACS
    Status:
    Published
    DOI:
    10.1021/acs.cgd.5b00251 – link to the publication

  6. Complex and mixture of ß-cyclodextrin with diazepam characterised by 1H NMR and atomatom potential methods

    Authors:
    A. Pajzderska, J. Mielcarek, J. Wasicki
    Academic press:
    Carbohydrate Research (year: 2014, volume: 398, pages: 56-62), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.carres.2014.07.025 – link to the publication

  7. Experimental and Solid-State Computational Study of Structural and Dynamic Properties in the Equilibrium Form of Temazepam

    Authors:
    A. Pajzderska, K. Druzbicki, M. A. Gonzalez, J. Jenczyk, B. Peplinska, M. Jarek, J. Mielcarek, and J. Wasicki
    Academic press:
    J. Phys. Chem. B (year: 2014, volume: 118, pages: 6670 - 6679), Publisher: ACS
    Status:
    Published
    DOI:
    10.1021/jp502609b – link to the publication

  8. Mesoporous drug carrier systems for enhanced delivery rate of poorly water-soluble drug: nimodipine

    Authors:
    Kiwilsza, Anna, Milanowski, Bartlomiej, Druzbicki, Kacper; Coy, L. Emerson, Grzeszkowiak, Mikolaj; Jarek, Marcin, Mielcarek, Jadwiga, Lulek, Janina, Pajzderska, Aleksandra, Wasicki, Jan
    Academic press:
    JOURNAL OF POROUS MATERIALS (year: 2015, volume: 22, pages: 817-829), Publisher: Springer
    Status:
    Published
    DOI:
    10.1007/s10934-015-9955-3 – link to the publication

  9. Water Behaviour in MCM-41 as a Function of Pore Filling and Temperature Studied by NMR and Molecular Dynamics Simulations

    Authors:
    A. Pajzderska, M. A. Gonzalez, J. Mielcarek, and J. Wasicki
    Academic press:
    J. Phys. Chem. C (year: 2014, volume: 118, pages: 23701 - 23710), Publisher: ACS
    Status:
    Published
    DOI:
    10.1021/jp505490c – link to the publication

  10. Phase diagram of water confined in MCM-41 up to 700 MPa

    Authors:
    A. Pajzderska, P. Bilski and J. Wasicki
    Academic press:
    J. Chem. Phys. (year: 2015, volume: 142, pages: 84505), Publisher: AIP
    Status:
    Published
    DOI:
    10.1063/1.4913427 – link to the publication

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Graphic design and implementation: Jakub Piotrowski