Magdalena Gruziel, Ph.D.

Department of Biosystems and Soft Matter (ZBiMM)
Division of Complex Fluids (PFPZ)
position: specialist
telephone: (+48) 22 826 12 81 ext.: 421
room: 322
e-mail: mgruziel

Doctoral thesis
2008-06-16Badanie energii swobodnej solwatacji modelowych układów molekularnych z wykorzystaniem metod fizyki statystycznej i obliczeniowych  
supervisor -- Prof. Bogdan Lesyng, Ph.D., Dr. Habil., UW
Recent publications
1.Gruziel M., Szymczak P., From ribbons to tubules: a computational study of the polymorphism in aggregation of helical filaments, SOFT MATTER, ISSN: 1744-683X, DOI: 10.1039/c5sm00652j, Vol.11, pp.6294-6304, 2015

A simple, coarse-grained model of chiral, helical filaments is used to study the polymorphism of fibrous aggregates. Three generic morphologies of the aggregates are observed: ribbons, in which the filaments are joined side-by-side, twisted, helicoidal fibrils, in which filaments entwine along each other and tubular forms, with filaments wound together around a hollow core of the tube. A relative simplicity of the model allows us to supplement numerical simulations with an analytic description of the elastic properties of the aggregates. The model is capable of predicting geometric and structural characteristics of the composite structures, as well as their relative stabilities. We also investigate in detail the transitions between different morphologies of the aggregates.

Gruziel M.-other affiliation
Szymczak P.-University of Warsaw (PL)
2.Gruziel M., Dzwolak W., Szymczak P., Chirality inversions in self-assembly of fibrillar superstructures: a computational study, SOFT MATTER, ISSN: 1744-683X, DOI: 10.1039/c3sm27961h, Vol.9, pp.8005-8013, 2013

The formation of aggregates of helical fibrils is analyzed numerically. The aggregate morphology, chirality and stability are studied as a function of temperature and helical pitch of individual fibrils. The simulations show the existence of a critical pitch above which the handedness of the aggregates is opposite to that of the constituting fibrils. We also observe and analyze the process of spontaneous chirality inversion of individual fibrils within the aggregates. This inversion is accompanied by a helical wave propagating along the fibril axis, with a kink separating left-handed and right-handed regions moving along the fibril. The frequency of this process is strongly dependent on the initial pitch of the fibrils with a local maximum near the critical pitch.

Gruziel M.-other affiliation
Dzwolak W.-University of Warsaw (PL)
Szymczak P.-University of Warsaw (PL)

Conference abstracts
1.Gruziel M., Thyagarajan K., Dietler G., Szymczak P., Ekiel-Jeżewska M.L., Dynamics of knotted flexible loops settling under a constant force in a viscous fluid, Bulletin of the American Physical Society, ISSN: 0003-0503, Vol.62, No.14, pp.81-81, 2017