### Abstract

Extension of one-dimensional signal analysis to two-dimensional image analysis could accelerate conventional methods of high-throughput screening in the discovery of new pharmaceutical agents. This work describes a first step taken towards this goal - the evaluation of image-analysis based estimation strategies of the diffusion coefficient of a single molecule transported within a microfabricated flowcell. A computer simulation of single-molecule imaging by a charge-coupled device (CCD) camera is used to determine if it is possible to distinguish three different types of molecules with different diffusion coefficients. The Gaussian fitting algorithm finds the variance of the transverse trajectory, which increases linearly with the diffusion coefficient; the path analysis algorithm determines the diffusion coefficient from cumulative summation of the squared displacement along the imaged path; the detector area analysis algorithm determines the number of resolvable positions or pixels in the imaged trajectory. Of the three methods, the path analysis strategy appears to provide the most reliable measure of diffusion coefficient with relative error of 13.6% and 6.4% between single molecules with diffusion coefficients of 2.85e-7 and 1.425e-7 cm^{2}/s. The detector area analysis method can statistically distinguish between single molecules with diffusion coefficients of 5.7e-7 and 1.425e-7 cm^{2}/s at the p_{0.05} level.

Original language | English (US) |
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Title of host publication | Proceedings of the 31st Annual International Conference of the IEEE Engineering in Medicine and Biology Society |

Subtitle of host publication | Engineering the Future of Biomedicine, EMBC 2009 |

Publisher | IEEE Computer Society |

Pages | 1396-1399 |

Number of pages | 4 |

ISBN (Print) | 9781424432967 |

DOIs | |

State | Published - Jan 1 2009 |

Event | 31st Annual International Conference of the IEEE Engineering in Medicine and Biology Society: Engineering the Future of Biomedicine, EMBC 2009 - Minneapolis, MN, United States Duration: Sep 2 2009 → Sep 6 2009 |

### Publication series

Name | Proceedings of the 31st Annual International Conference of the IEEE Engineering in Medicine and Biology Society: Engineering the Future of Biomedicine, EMBC 2009 |
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### Conference

Conference | 31st Annual International Conference of the IEEE Engineering in Medicine and Biology Society: Engineering the Future of Biomedicine, EMBC 2009 |
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Country | United States |

City | Minneapolis, MN |

Period | 9/2/09 → 9/6/09 |

### Fingerprint

### ASJC Scopus subject areas

- Cell Biology
- Developmental Biology
- Biomedical Engineering
- Medicine(all)

### Cite this

*Proceedings of the 31st Annual International Conference of the IEEE Engineering in Medicine and Biology Society: Engineering the Future of Biomedicine, EMBC 2009*(pp. 1396-1399). [5334157] (Proceedings of the 31st Annual International Conference of the IEEE Engineering in Medicine and Biology Society: Engineering the Future of Biomedicine, EMBC 2009). IEEE Computer Society. https://doi.org/10.1109/IEMBS.2009.5334157

**Single molecule diffusion coefficient estimation by image analysis of simulated CCD images to aid high-throughput screening.** / Song, Pengfei; Davis, Lloyd M.; Bashford, Gregory R.

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

*Proceedings of the 31st Annual International Conference of the IEEE Engineering in Medicine and Biology Society: Engineering the Future of Biomedicine, EMBC 2009.*, 5334157, Proceedings of the 31st Annual International Conference of the IEEE Engineering in Medicine and Biology Society: Engineering the Future of Biomedicine, EMBC 2009, IEEE Computer Society, pp. 1396-1399, 31st Annual International Conference of the IEEE Engineering in Medicine and Biology Society: Engineering the Future of Biomedicine, EMBC 2009, Minneapolis, MN, United States, 9/2/09. https://doi.org/10.1109/IEMBS.2009.5334157

}

TY - GEN

T1 - Single molecule diffusion coefficient estimation by image analysis of simulated CCD images to aid high-throughput screening

AU - Song, Pengfei

AU - Davis, Lloyd M.

AU - Bashford, Gregory R.

PY - 2009/1/1

Y1 - 2009/1/1

N2 - Extension of one-dimensional signal analysis to two-dimensional image analysis could accelerate conventional methods of high-throughput screening in the discovery of new pharmaceutical agents. This work describes a first step taken towards this goal - the evaluation of image-analysis based estimation strategies of the diffusion coefficient of a single molecule transported within a microfabricated flowcell. A computer simulation of single-molecule imaging by a charge-coupled device (CCD) camera is used to determine if it is possible to distinguish three different types of molecules with different diffusion coefficients. The Gaussian fitting algorithm finds the variance of the transverse trajectory, which increases linearly with the diffusion coefficient; the path analysis algorithm determines the diffusion coefficient from cumulative summation of the squared displacement along the imaged path; the detector area analysis algorithm determines the number of resolvable positions or pixels in the imaged trajectory. Of the three methods, the path analysis strategy appears to provide the most reliable measure of diffusion coefficient with relative error of 13.6% and 6.4% between single molecules with diffusion coefficients of 2.85e-7 and 1.425e-7 cm2/s. The detector area analysis method can statistically distinguish between single molecules with diffusion coefficients of 5.7e-7 and 1.425e-7 cm2/s at the p0.05 level.

AB - Extension of one-dimensional signal analysis to two-dimensional image analysis could accelerate conventional methods of high-throughput screening in the discovery of new pharmaceutical agents. This work describes a first step taken towards this goal - the evaluation of image-analysis based estimation strategies of the diffusion coefficient of a single molecule transported within a microfabricated flowcell. A computer simulation of single-molecule imaging by a charge-coupled device (CCD) camera is used to determine if it is possible to distinguish three different types of molecules with different diffusion coefficients. The Gaussian fitting algorithm finds the variance of the transverse trajectory, which increases linearly with the diffusion coefficient; the path analysis algorithm determines the diffusion coefficient from cumulative summation of the squared displacement along the imaged path; the detector area analysis algorithm determines the number of resolvable positions or pixels in the imaged trajectory. Of the three methods, the path analysis strategy appears to provide the most reliable measure of diffusion coefficient with relative error of 13.6% and 6.4% between single molecules with diffusion coefficients of 2.85e-7 and 1.425e-7 cm2/s. The detector area analysis method can statistically distinguish between single molecules with diffusion coefficients of 5.7e-7 and 1.425e-7 cm2/s at the p0.05 level.

UR - http://www.scopus.com/inward/record.url?scp=77950993151&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=77950993151&partnerID=8YFLogxK

U2 - 10.1109/IEMBS.2009.5334157

DO - 10.1109/IEMBS.2009.5334157

M3 - Conference contribution

C2 - 19964522

AN - SCOPUS:77950993151

SN - 9781424432967

T3 - Proceedings of the 31st Annual International Conference of the IEEE Engineering in Medicine and Biology Society: Engineering the Future of Biomedicine, EMBC 2009

SP - 1396

EP - 1399

BT - Proceedings of the 31st Annual International Conference of the IEEE Engineering in Medicine and Biology Society

PB - IEEE Computer Society

ER -