Brownian Motion in Optical Tweezers, a Comparison between MD Simulations and Experimental Data in the Ballistic Regime

Krzysztof Zembrzycki; Sylwia Pawłowska; Filippo Pierini; Tomasz Aleksander Kowalewski

doi:10.3390/polym15030787

Brownian Motion in Optical Tweezers, a Comparison between MD Simulations and Experimental Data in the Ballistic Regime

Abstrakt

The four most popular water models in molecular dynamics were studied in large-scale simulations of Brownian motion of colloidal particles in optical tweezers and then compared with experimental measurements in the same time scale. We present the most direct comparison of colloidal polystyrene particle diffusion in molecular dynamics simulations and experimental data on the same time scales in the ballistic regime. The four most popular water models, all of which take into account electrostatic interactions, are tested and compared based on yielded results and resources required. Three different conditions were simulated: a freely moving particle and one in a potential force field with two different strengths based on 1 pN/nm and 10 pN/nm. In all cases, the diameter of the colloidal particle was 50 nm. The acquired data were compared with experimental measurements performed using optical tweezers with position capture rates as high as 125 MHz. The experiments were performed in pure water on polystyrene particles with a 1 μm diameter in special microchannel cells.

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Wersja publikacji: Accepted albo Published Version
DOI:: Cyfrowy identyfikator dokumentu elektronicznego (otwiera się w nowej karcie) 10.3390/polym15030787
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Kategoria:

Publikacja w czasopiśmie

Typ:

artykuły w czasopismach

Opublikowano w:

Polymers nr 15,
ISSN: 2073-4360

Język:

angielski

Rok wydania:

2023

Opis bibliograficzny:

Zembrzycki K., Pawłowska S., Pierini F., Kowalewski T. A.: Brownian Motion in Optical Tweezers, a Comparison between MD Simulations and Experimental Data in the Ballistic Regime// Polymers -,iss. 3 (2023), s.787-

DOI:

10.3390/polym15030787

Źródła finansowania:

This research was funded by the Polish NCN grant No. 2015/19/N/ST8/03931. This study was partially supported by the LIDER program funded by the National Center for Research and Development (NCBiR) under NCBiR Grant No. LIDER/28/0067/L-7/15/NCBR/2016.

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