| Title |
Kompiuterinis daugiapakopių reakcijų kinetikos biojutikliuose modeliavimas / |
| Translation of Title |
Computational Modeling of Complex Reactions Kinetics in Biosensors. |
| Authors |
Gaidamauskaitė, Evelina |
| Full Text |
|
| Pages |
35 |
| Keywords [eng] |
Computational modeling ; biosensors ; complex reactions |
| Abstract [eng] |
Biosensors are analytical devices made up of a combination of a biological entity, usually an enzyme, that recognizes a specific analyte (substrate) and the transducer that translates the biorecognition event into a signal. In order to create new types of biosensors the corresponding experimental studies are necessary. Computational experiments could very well replace very expensive physical ones. However, the multi-step character of a chemical reaction scheme must be considered and modeled accordingly. In this thesis such reaction schemes were studied in great details. Original mathematical models were developed for optical peroxidase-based and amperometric laccase-based biosensors. The deterministic nature of model construction allows the automated models to be built. Based on this assumption flexible model for computational modeling of different practical multistep biosensors was developed. In order to optimize the numerical solution of the reaction-diffusion type equations common finite difference schemes were compared. The comparison shows that the fastest schemes to achieve the required relative error are implicit and Hopscotch schemes. For the problems where accuracy is not a significant factor but the speed is, the simplest explicit scheme should be used. Applying the new flexible model a computational modeling of the multi-step biosensors were produced. The modeling of laccase biosensor explained and confirmed the synergistic effect. The computational modeling of the optical biosensor indicated that response is highly stable at the relatively thick external diffusion layer, which has little effect on the response at high enzyme concentrations. |
| Type |
Summaries of doctoral thesis |
| Language |
Lithuanian |
| Publication date |
2011 |
