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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Molecular dynamics of different polymorphous of pharmacologically active substances

2012/05/B/ST3/03176

Keywords:

molecular dynamics drugs polimorphism pT phase diagram nuclear magnetic resonance neutron scattering calorimetry optical spectroscopy computer simulations

Descriptors:

  • ST3_6: Macroscopic quantum phenomena: superconductivity, superfluidity, etc.
  • ST3_18:

Panel:

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

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 3 - announced on 2012-03-15

Amount awarded: 535 900 PLN

Project start date (Y-m-d): 2013-02-08

Project end date (Y-m-d): 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 (35 000 PLN)
  2. Kriostat helowy.
  3. Układ nadawczo-odbiorczy do spektrometru MRJ 25 MHz (29 999 PLN)
  4. Głowica pomiarowa z układem chłodzenia do spektrometru MRJ (25 000 PLN)

Information in the final report

  • Publication in academic press/journals (10)
  1. 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 (rok: 2015, tom: 22, strony: 817-829), Wydawca: Springer
    Status:
    Published
    DOI:
    10.1007/s10934-015-9955-3 - 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 (rok: 2015, tom: 5, strony: 57502-57514), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C5RA08937A - link to the publication
  3. 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 (rok: 2015, tom: 119, strony: 16578–16586), Wydawca: ACS
    Status:
    Published
    DOI:
    10.1021/acs.jpcc.5b02672 - link to the publication
  4. 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 (rok: 2015, tom: 15, strony: 2817–2830), Wydawca: ACS
    Status:
    Published
    DOI:
    10.1021/acs.cgd.5b00251 - link to the publication
  5. 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 (rok: 2014, tom: 118, strony: 6670 - 6679), Wydawca: ACS
    Status:
    Published
    DOI:
    10.1021/jp502609b - link to the publication
  6. 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. (rok: 2015, tom: 142, strony: 84505), Wydawca: AIP
    Status:
    Published
    DOI:
    10.1063/1.4913427 - link to the publication
  7. 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 (rok: 2016, tom: 31, strony: 68-83), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.ejps.2016.01.024 - link to the publication
  8. 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 (rok: 2015, tom: 104, strony: 4164-4169), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/jps.24644 - 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 (rok: 2014, tom: 118, strony: 23701 - 23710), Wydawca: ACS
    Status:
    Published
    DOI:
    10.1021/jp505490c - link to the publication
  10. 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 (rok: 2014, tom: 398, strony: 56-62), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.carres.2014.07.025 - link to the publication

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