Brownian Motion in Optical Tweezers, a Comparison between MD Simulations and Experimental Data in the Ballistic Regime
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 parti...
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MDPI AG
2023-02-01
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| Series: | Polymers |
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| Online Access: | https://www.mdpi.com/2073-4360/15/3/787 |
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| author | Krzysztof Zembrzycki Sylwia Pawłowska Filippo Pierini Tomasz Aleksander Kowalewski |
| author_facet | Krzysztof Zembrzycki Sylwia Pawłowska Filippo Pierini Tomasz Aleksander Kowalewski |
| author_sort | Krzysztof Zembrzycki |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-11T09:28:29Z |
| format | Article |
| id | doaj.art-90ff39ef26194ebc8e012373b784bd59 |
| institution | Directory Open Access Journal |
| issn | 2073-4360 |
| language | English |
| last_indexed | 2024-03-11T09:28:29Z |
| publishDate | 2023-02-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Polymers |
| spelling | doaj.art-90ff39ef26194ebc8e012373b784bd592023-11-16T17:50:36ZengMDPI AGPolymers2073-43602023-02-0115378710.3390/polym15030787Brownian Motion in Optical Tweezers, a Comparison between MD Simulations and Experimental Data in the Ballistic RegimeKrzysztof Zembrzycki0Sylwia Pawłowska1Filippo Pierini2Tomasz Aleksander Kowalewski3Department of Biosystem and Soft Matter, Institute of Fundamental Technological Research, Polish Academy of Sciences, ul. Pawinskiego 5B, 02-106 Warsaw, PolandFaculty of Electronics, Telecommunications and Informatics, Gdańsk University of Technology, ul. G. Narutowicza 11/12, 80-233 Gdańsk, PolandDepartment of Biosystem and Soft Matter, Institute of Fundamental Technological Research, Polish Academy of Sciences, ul. Pawinskiego 5B, 02-106 Warsaw, PolandDepartment of Biosystem and Soft Matter, Institute of Fundamental Technological Research, Polish Academy of Sciences, ul. Pawinskiego 5B, 02-106 Warsaw, PolandThe 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.https://www.mdpi.com/2073-4360/15/3/787Brownian motionmolecular dynamicsoptical tweezersballistic regimewater model comparison |
| spellingShingle | Krzysztof Zembrzycki Sylwia Pawłowska Filippo Pierini Tomasz Aleksander Kowalewski Brownian Motion in Optical Tweezers, a Comparison between MD Simulations and Experimental Data in the Ballistic Regime Polymers Brownian motion molecular dynamics optical tweezers ballistic regime water model comparison |
| title | Brownian Motion in Optical Tweezers, a Comparison between MD Simulations and Experimental Data in the Ballistic Regime |
| title_full | Brownian Motion in Optical Tweezers, a Comparison between MD Simulations and Experimental Data in the Ballistic Regime |
| title_fullStr | Brownian Motion in Optical Tweezers, a Comparison between MD Simulations and Experimental Data in the Ballistic Regime |
| title_full_unstemmed | Brownian Motion in Optical Tweezers, a Comparison between MD Simulations and Experimental Data in the Ballistic Regime |
| title_short | Brownian Motion in Optical Tweezers, a Comparison between MD Simulations and Experimental Data in the Ballistic Regime |
| title_sort | brownian motion in optical tweezers a comparison between md simulations and experimental data in the ballistic regime |
| topic | Brownian motion molecular dynamics optical tweezers ballistic regime water model comparison |
| url | https://www.mdpi.com/2073-4360/15/3/787 |
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