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Modeling

Computational Biology provides us insight on how to apply experimental data to real world applications!

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MODELING

Our model aims to facilitate the implementation of our proteorhodopsin (PR)-expressing bacteria and biofilm prototype in wastewater treatment plants (WWTPs). Using variables which are specific to any WWTP (such as flow rate and water retention time in each tank), we can determine the amount of bacteria or surface area of biofilm needed to reduce nanoparticle concentration in the treated effluent.

INTRODUCTION

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PROTEORHODOPSIN TRAPPING MODEL

Proteorhodopsin and citrate binding modeled as a ligand-receptor interaction

Determining NP binding rate (kon) and dissociation rate (koff) constants using experimental data

Example Application of Completed Model

Initial NP Concentration (micromolar)
Initial Bacteria Concentration (# of cells/microliter)
Initial NP-PR complex concentration (usually 0 at the start, micromolar)
Amount of time that can be used for the process (hours)
Resulting NP Concentration (micromolar):    

Calculations

BIOFILM TRAPPING MODEL

Evaluating the trapping rate through the change in substrate concentration and volumetric flow rate

Determining the significance of different factors

Surface Area

Example Application

Initial volume of clarifier tank (L)
Final volume of clarifier tank (L)
Initial concentration of NP in tank (micromolar)
Targeted final concentration on NP in tank (micromolar)
Vertical velocity of water (or velocity of water in contact with biofilm, cm/min)
Time for biofilm to be in contact with NP solution (minutes)
Surface area of biofilm needed (cm2):    

REFERENCES

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