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Type of publication: Konferencijų tezės nerecenzuojamuose leidiniuose / Conference theses in non-peer-reviewed publications (T2)
Field of Science: Biochemija / Biochemistry (N004)
Author(s): Vaitkevičienė, Violeta;Sližytė, Ramunė
Title: Modeling of optimal antibiotics concentration in bacteria with PHREEQ tool
Is part of: Smart Bio: international conference, 18-20 May 2017, Kaunas : abstracts book. Kaunas : Vytautas Magnus University, 2017
Extent: p. 107-107
Date: 2017
Keywords: Antibiotics;Bacteria;PHREEQ
ISBN: 9786098104424
Abstract: PHREEQC is a computer program developed by the US Geological Survey (USGS) and has become the standard for water chemistry. In present PHREEQC is implementing in biochemistry and environment science where a computational tools are needed. This study is an attempt to model practical appliance and to compute optimal antibiotics (tetracycline, penicillin G and penicillin V) concentration at with the accumulation of antibiotics in bacteria E. coli reaches 0.5 mg per 1 g of bacteria at solution pH ≈ 5.0. This study used simplified model of extracellular water including of Na+, K+, Ca+2, Mg+2 Cl-, HPO4-2 and HCO3- ions, antibiotics (tetracycline, penicillin G, penicillin V) and data sets of thermodynamic parameters for use in PHREEQC. Uptake of antibiotics by bacteria was described and computed as adsorption of neutral species of antibiotics with their log K values 2.36 for tetracycline, 2.24 for penicillin G and 2.26 for penicillin V respectively. Using PHREEQC was modeled 0.5 mg accumulation of each antibiotic per 1 g of bacteria when concentration in solution of tetracycline was 100 mg/L, penicillin G was 300 mg/L and penicillin V was 300 mg/L. While antibiotics where added pH value of solution was changed from 5.5 at initial point to 4.97 at final point
Affiliation(s): Biochemijos katedra
Gamtos mokslų fakultetas
Vytauto Didžiojo universitetas
Appears in Collections:Universiteto mokslo publikacijos / University Research Publications

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