Work

Simulation methods in the modelling of bioaffinity assays

Year: 2012
Type: dissertation
Abstract: Computational model-based simulation methods were developed for the modelling of \nbioaffinity assays. Bioaffinity-based methods are widely used to quantify a biological \nsubstance in biological research, development and in routine clinical in vitro diagnostics. \nBioaffinity assays are based on the high affinity and structural specificity between the \nbinding biomolecules. The simulation methods developed are based on the mechanistic \nassay model, which relies on the chemical reaction kinetics and describes the forming \nof a bound component as a function of time from the initial binding interaction. The \nsimulation methods were focused on studying the behaviour and the reliability of \nbioaffinity assay and the possibilities the modelling methods of binding reaction kinetics \nprovide, such as predicting assay results even before the binding reaction has reached \nequilibrium. For example, a rapid quantitative result from a clinical bioaffinity assay \nsample can be very significant, e.g. even the smallest elevation of a heart muscle marker \nreveals a cardiac injury. \n \nThe simulation methods were used to identify critical error factors in rapid bioaffinity \nassays. A new kinetic calibration method was developed to calibrate a measurement \nsystem by kinetic measurement data utilizing only one standard concentration. A nodebased \nmethod was developed to model multi-component binding reactions, which have \nbeen a challenge to traditional numerical methods. The node-method was also used to \nmodel protein adsorption as an example of nonspecific binding of biomolecules. These \nmethods have been compared with the experimental data from practice and can be \nutilized in in vitro diagnostics, drug discovery and in medical imaging.
Language: English
Open Access status: green
OpenAlex ID: W2287471407
Cites: 119
Cited by:
Related to: 10