### Abstract

Language | English |
---|---|

Pages | 76-81 |

Number of pages | 6 |

Journal | Analytical Biochemistry |

Volume | 387 |

Issue number | 1 |

DOIs | |

Publication status | Published - 1 Apr 2009 |

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### Keywords

- protein particles
- particle size
- software
- circular dichroism
- light absorption

### Cite this

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**Estimation of flattening coefficient for absorption and circular dichroism using simulation.** / Halling, Peter J.

Research output: Contribution to journal › Article

TY - JOUR

T1 - Estimation of flattening coefficient for absorption and circular dichroism using simulation

AU - Halling, Peter J.

PY - 2009/4/1

Y1 - 2009/4/1

N2 - The absorbance and circular dichroism (CD) of suspensions is lower than if the same amount of chromophore were uniformly distributed throughout the medium. Several mathematical treatments of this absorption flattening phenomenon have been presented using various assumptions and approximations. This article demonstrates an alternative simulation approach that allows relaxation of assumptions. On current desktop computers, the algorithm runs quickly with enough particles and light paths considered to get answers that are usually accurate to better than 3%. Results from the simulation agree with the most popular analytical model for 0.01 volume fraction of particles, showing that the extent of flattening depends mainly on the absorbance through a particle diameter. Unlike previous models, the simulation can show that flattening is significantly lower when volume fraction increases to 0.1 but is higher when the particles have a size distribution. The simulation can predict the slope of the nearly linear relationship between flattening of CD and the absorbance of the suspension. This provides a method to correct experimental CD data where volume fraction and particle size are known.

AB - The absorbance and circular dichroism (CD) of suspensions is lower than if the same amount of chromophore were uniformly distributed throughout the medium. Several mathematical treatments of this absorption flattening phenomenon have been presented using various assumptions and approximations. This article demonstrates an alternative simulation approach that allows relaxation of assumptions. On current desktop computers, the algorithm runs quickly with enough particles and light paths considered to get answers that are usually accurate to better than 3%. Results from the simulation agree with the most popular analytical model for 0.01 volume fraction of particles, showing that the extent of flattening depends mainly on the absorbance through a particle diameter. Unlike previous models, the simulation can show that flattening is significantly lower when volume fraction increases to 0.1 but is higher when the particles have a size distribution. The simulation can predict the slope of the nearly linear relationship between flattening of CD and the absorbance of the suspension. This provides a method to correct experimental CD data where volume fraction and particle size are known.

KW - protein particles

KW - particle size

KW - software

KW - circular dichroism

KW - light absorption

U2 - 10.1016/j.ab.2009.01.006

DO - 10.1016/j.ab.2009.01.006

M3 - Article

VL - 387

SP - 76

EP - 81

JO - Analytical Biochemistry

T2 - Analytical Biochemistry

JF - Analytical Biochemistry

SN - 0003-2697

IS - 1

ER -