Profil pracownika

Dr hab. Wojciech Płaziński

Pracownik IKiFP PAN od: 2008

Pokój: 619a, Collegium Chemicum, UMCS, Lublin

Telefon: +48 81 537 5519

E-mail: wojtek_plazinski(at)o2.pl

Tematyka badawcza:

- Teoretyczne badania kinetyki oraz równowagi adsorpcji na granicy faz ciało stałe/gaz oraz ciało stałe/roztwór. Wpływ heterogeniczności energetycznej powierzchni.
- Wpływ pH na równowagę i kinetykę biosorpcji jonów metali ciężkich.
- Właściwości konformacyjne węglowodanów na poziomie mono-, oligo- i polimerów.
- Oddziaływanie uronianów z jonami metali.
- Termodynamika wiązania leków przez receptor beta2-adrenergiczny.
- Receptor CD44, jego oddziaływanie z hialuronianem oraz przemiany konformacyjne.
- Rozwijanie metod typu 'enhanced sampling' w kontekście badań nad konformacją węglowodanów.
- Rozwijanie pól siłowych z rodziny GROMOS.

Metodyka:

Modelowanie teoretyczne danych eksperymentalnych.

Symulacje metodą dynamiki molekularnej z wykorzystaniem metod enhanced sampling:
- metadynamika,
- umbrella sampling;
- transition path sampling;
- local-elevation umbrella sampling.

Dalsze informacje:

Habilitacja (2014): Modelowanie teoretyczne procesu wiązania dwuwartościowych jonów metali przez alginiany oraz materiały sorpcyjne zawierające alginiany.

Doktorat (2009): Teoretyczny opis kinetyki adsorpcji na granicy faz roztwór/ciało stałe: zastosowanie statystycznej teorii transportu międzyfazowego.

Magisterium (2005): Izotermiczna kinetyka adsorpcji gazów na heterogenicznych powierzchniach ciał stałych: równania oparte na statystycznej teorii transportu międzyfazowego.

2018

  • Panczyk, K.; Plazinski, W. , "Pyranose ring puckering in aldopentoses, ketohexoses and deoxyaldohexoses. A molecular dynamics study.", Carbohydrate Research, 455 (2018) 62-70
  • Plazinska, A.; Plazinski, W.; Luchowski, R.; Wnorowski, A.; Grudzinski, W.; Gruszecki, W. , " Ligand-induced action of the W2866.48 rotamer toggle switch in ß2-adrenergic receptor. ", Physical Chemistry Chemical Physics, 20 (2018) 581-594
  • Panczyk, K.; Gaweda, K; Drach, M.; Plazinski, W. , "Extension of the GROMOS 56a6(CARBO/CARBO)_(R) Force Field for Charged, Protonated, and Esterified Uronates.", Journal of Physical Chemistry B, 122 (2018) 3696-3710
  • Studzińska, R.; Kołodziejska, R.; Kupczyk, D.; Płaziński, W.; Kosmalski, T., "A novel derivatives of thiazol-4(5H)-one and their activity in the inhibition of 11β-hydroxysteroid dehydrogenase type 1.", Bioorganic Chemistry, 79 (2018) 115-121
  • Brzyska, A.; Płaziński, W.; Woliński, K., "Force-induced structural changes in non-sulfated carrageenan based oligosaccharides-a theoretical study.", Soft Matter , 14 (2018) 6264-6277

2017

  • Plazinski, W.; Plazinska, A, "Molecular dynamics simulations of hexopyranose ring distortion in different force fields", Pure and Applied Chemistry, 89 (2017) 1283-1294
  • Gaweda, K.; Plazinski, W., "Pyranose ring conformations in mono- and oligosaccharides: a combined MD and DFT approach", Physical Chemistry Chemical Physics, 19 (2017) 20760-20772
  • Plazinski, W.; Plazinska, A., "Stereoselective binding of agonists to the beta2-adrenergic receptor. Insights into molecular details and thermodynamics from molecular dynamics simulations", Molecular Biosystems, 13 (2017) 910-920
  • Plazinska, A; Plazinski, W.; Kolinski, M., "Binding affinities of Gi and Gs proteins to the b2-adrenergic receptor: insights from the coarse-grained molecular dynamics simulations", Proceedings of the International Conference on Computational Modeling & Simulation (ICCMS-2017), (2017)

2016

  • W. Plazinski, A. Lonardi, P.H. Hünenberger , "Revision of the GROMOS 56A6CARBO force field: Improving the description of ring-conformational equilibria in hexopyranose-based carbohydrates chains", Journal of Computational Chemistry, 37 (2016) 354–365
  • W. Plazinski, M. Drach, A. Plazinska, "Ring inversion properties of 1→2, 1→3 and 1→6-linked hexopyranoses and their correlation with the conformation of glycosidic linkages", Carbohydrate Research, 423 (2016) 43-48
  • W. Plazinski, A. Plazinska, M. Drach, "Acyclic forms of aldohexoses and ketohexoses in aqueous and DMSO solutions: Conformational features studied using molecular dynamics simulations", Physical Chemistry Chemical Physics, 18 (2016) 9626-9635

2015

  • A. Plazinska, W. Plazinski, K. Jozwiak , "Agonist binding by the β2-adrenergic receptor: an effect of receptor conformation on ligand association–dissociation characteristics", European Biophysics Journal, 44 (2015) 149-163
  • W. Plazinski, M. Drach , "Binding of bivalent metal cations by α-l-guluronate: Insights from the DFT-MD simulations", New Journal of Chemistry, 39 (2015) 3987-3994
  • W. Plazinski, A. Plazinska, M. Drach , "The water-catalyzed mechanism of the ring-opening reaction of glucose", Physical Chemistry Chemical Physics, 17 (2015) 21622-21629
  • W. Plazinski, M. Drach , "The influence of the hexopyranose ring geometry on the conformation of glycosidic linkages investigated using molecular dynamics simulations", Carbohydrate Research, 415 (2015) 17-27
  • W. Plazinski, M. Drach , "Kinetic characteristics of conformational changes in the hexopyranose rings", Carbohydrate Research, 416 (2015) 41-50

2014

  • Plazinski, W., Drach, M. , "The dynamics of the conformational changes in the hexopyranose ring: A transition path sampling approach", RSC Advances, 4 (2014) 25028-25039
  • Plazinska, A., Plazinski, W., Jozwiak, K. , "Fast, metadynamics-based method for prediction of the stereochemistry- dependent relative free energies of ligand-receptor interactions", Journal of Computational Chemistry, 35 (2014) 876-882

2013

  • W. Plazinski, M. Drach, "Calcium-α-l-guluronate complexes: Ca2+ binding modes from DFT-MD simulations", Journal of Physical Chemistry B, 117 (2013) 12105-12112
  • W. Płaziński, J. Dziuba, W. Rudziński, "Modeling of sorption kinetics: The pseudo-second order equation and the sorbate intraparticle diffusivity", Adsorption, 19 (2013) 1055-1064
  • W. Plazinski, A. Knys-Dzieciuch, "The 'order-to-disorder' conformational transition in CD44 protein: An umbrella sampling analysis", Journal of Molecular Graphics and Modelling, 45 (2013) 122-127
  • W. Plazinski, "Binding of heavy metals by algal biosorbents. Theoretical models of kinetics, equilibria and thermodynamics", Advances in Colloid and Interface Science , 197-198 (2013) 58-67
  • W. Plazinski, "Equilibrium and kinetic modeling of metal ion biosorption: On the ways of model generalization for the case of multicomponent systems", Adsorption, 19 (2013) 659-666

2012

  • W. Plazinski, "Sorption of metal cations by alginate-based biosorbents. On the correct determination of the thermodynamic parameters", J. Colloid Interface Sci., 368 (2012) 547–551
  • W. Plazinski, "Conformational properties of acidic oligo- and disaccharides and their ability to bind calcium: a molecular modeling study", Carbohydr. Res., 357 (2012) 111–117
  • W. Plazinski, "Sorption of lead, copper, and cadmium by calcium alginate. Metal binding stoichiometry and the pH effect", Environ Sci Pollut Res, 19 (2012) 3516–3524
  • W. Plazinski, M. Drach, "The dynamics of the calcium-induced chain–chain association in the polyuronate systems", J. Comp. Chem., 33 (2012) 1709–1715
  • W. Plazinski, M. Drach, "Thermodynamic aspects of calcium binding by poly(α-L-guluronate) chains. A molecular simulation study", Appl. Surf. Sci., 262 (2012) 153–155
  • W. Plazinski, A. Knys-Dzieciuch, "Interactions between CD44 protein and hyaluronan: insights from the computational study", Mol. BioSyst., 8 (2012) 543–547
  • W. Plazinski, W. Rudzinski, "Molecular modeling of Ca2+-oligo(α-l-guluronate) complexes: toward the understanding of the junction zone structure in calcium alginate gels", Struct Chem, 23 (2012) 1409–1415
  • W. Plazinski, A. Plazinska, "Equilibrium and Kinetic Modeling of Adsorption at Solid/Solution Interfaces", in: "Application of Adsorbents for Water Pollution Control", Bentham Science Publishers, (2012) 32-80
  • W. Plazinski, "Interactions of Metal Ions with Alginates: the Use of Computer Simulations to Recover the Macroscopic Experiemental Data", Proceedings of the PSRC 2012 International Conference on Chemical, Ecology and Environmantal Sciences, (2012) 146-148

2011

  • W. Płaziński, W. Rudziński, "Biosorption of heavy metal ions: ion-exchange versus adsorption and the heterogeneity of binding sites", Adsorption Sci. Technol., 29 (2011) 479-486
  • W. Płaziński, "Molecular basis of calcium binding by polyguluronate chains. Revising the egg-box model", J. Comp. Chem., 32 (2011) 2988-2995
  • W. Płaziński, A. Płazińska, "Molecular dynamics study of the interactions between phenolic compounds and alginate/alginic acid chains", New J. Chem., 35 (2011) 1607-1614
  • W. Płaziński, W. Rudziński, "Kinetyka adsorpcji na granicy faz roztwór/ciało stałe. Znaczenie równań pseudo-first order oraz pseudo-second order", Wiadomości Chemiczne, 29 (2011) 479-486

2010

  • W. Płaziński, "The statistical rate theory approach to description of the pH-dependent kinetics of metal ions adsorption", Journal of Physical Chemistry C, 114 (2010) 9952-9954
  • W. Płaziński, "Applicability of the film-diffusion model for description of the adsorption kinetics at the solid/solution interfaces", Applied Surface Science, 256 (2010) 5157-5163
  • W. Płaziński, W. Rudziński, "A Novel Two-Resistance Model for Description of the Adsorption Kinetics onto Porous Particles", Langmuir, 26 (2010) 802-808
  • W. Rudziński, W. Płaziński, "How does mechanism of biosorption determine the differences between the initial and equilibrium adsorption states?", Adsorption, 16 (2010) 351-357
  • W. Płaziński, W. Rudziński, "Heavy metals binding to biosorbents. Insights into Non-Competitive Models from a simple pH-dependent model", Colloids Surf. B, 80 (2010) 133-137
  • W. Płaziński, W. Rudziński, "Binding stoichiometry in sorption of divalent metal ions: A theoretical analysis based on the ion-exchange model", J. Colloid Interface Sci., 344 (2010) 165-170

2009

  • W.Płaziński, W.Rudziński "Kinetics of Adsorption at Solid/Solution Interfaces Controlled by the Intraparticle Diffusion: a Theoretical Analysis", J. Phys. Chem. C, 113 (2009) 12495-12501
  • W.Płaziński, W.Rudziński "Modeling the Effect of Surface Heterogeneity in Equilibrium of Heavy Metal Ion Biosorption by Using the Ion Exchange Model", Environmental Sci. Technol., 43 (2009) 7465-7471
  • W.Płaziński, W.Rudziński, A.Płazińska "Theoretical Models of Sorption Kinetics Including a Surface Reaction Mechanism: A Review", Adv. Colloid Interface Sci., 152 (2009) 2-13

2008

  • W.Rudziński, W.Płaziński "On the Theoretical Development and the Applicability of the Lagergren Equation for the Kinetics of Adsorption at the Solid/Solution Interfaces", Polish J. Chem., 82 (2008) 329-338
  • W.Rudziński, W.Płaziński "Kinetics of Dyes Adsorption at the Solid/Solution Interfaces: A Theoretical Description Based on the Two-Step Kinetic Model", Environ.Sci. Technol., 42 (2008) 2470-2475
  • W.Rudziński, W.Płaziński "Kinetics of Solute Adsorption at the Solid/Aqueous Interfaces: Searching for the Theoretical Background of the Modified Pseudo-First Order Kinetic Equation", Langmuir, 24 (2008) 5393-5399
  • W.Rudziński, W.Płaziński "Kinetics of Solute Adsorption at Solid/Solution Interfaces: On the Special Features of the Initial Adsorption Kinetics", Langmuir, 24 (2008) 6738-6744
  • W.Rudziński, W.Płaziński "Kinetics of Charged Species Adsorption at Heterogeneous Solid/Solution Interfaces: a Theoretical Treatment Based on Statistical Rate Theory", J. Colloid Interface Sci., 327 (2008) 36-43
  • W.Rudziński, W.Płaziński "Kinetics of Multi-Site-Occupancy Adsorption at the Solid/Solution Interfaces. The Absolute Rate Theory Approach", Annales Universitatis Mariae Curie-Skłodowska, Sectio AA: Chemia, 2007, LXIII. (2008) 130-143

2007

  • W. Rudziński, W. Płaziński "Theoretical Description of the Kinetics of Solute Adsorption at Heterogeneous Solid/solution Interfaces. On the Possibility of Distinguishing between the Diffusional and the Surface Reaction Kinetics Models", Appl. Surf. Sci., 253 (2007) 5827-5840
  • W. Rudziński, W. Płaziński "Reply to Comment on 'Kinetics of Solute Adsorption at Solid/Solution Interfaces: a Theoretical Development of the Empirical Pseudo-First and Pseudo-Second Order Kinetic Rate Equations, Based on Applying the Statistical Rate Theory of Interfacial Transport'", J. Phys. Chem. C, 111 (2007) 319-319
  • W. Rudziński, W. Płaziński "Studies of the Kinetics of Solute Adsorption at Solid/solution Interfaces: on the Possibility of Distinguishing between the Diffusional and the Surface Reaction Kinetic Models by Studying the Pseudo-First Order Kinetics", J. Phys. Chem. C, 111 (2007) 15100-15110

2006

  • W. Rudziński, W. Płaziński "Kinetics of Solute Adsorption at Solid/Solution Interfaces: A Theoretical Development of the Empirical Pseudo-first and Pseudo-second Order Kinetic Rate Equations, Based on Applying the Statistical Rate Theory of Interfacial Transport", J. Phys. Chem. B, 110 (2006) 16514-16525

2005

  • W. Rudziński, T. Pańczyk, W. Płaziński "Kinetics of Isothermal Gas Adsorption on Heterogeneous Solid Surfaces: Equations Based on Generalization of the Statistical Rate Theory of Interfacial Transport", J. Phys. Chem. B, 109 (2005) 21868-21878