DOI Number : 10.5614/itbj.sci.2011.43.2.4
Hits : 3

Immobilization of Amino Acids Leucine and Glycine on Polypyrrole for Biosensor Applications: A Density Functional Theory Study

Hermawan K. Dipojono1,  Nugraha 1, Irma Safitri1, Eko Mursito B.1, Nuryanti1, Adhitya G Saputro1,2, Melanie Y. David2,3 & Hideaki Kasai1,2
1Laboratory of Computational Material Design and Quantum Engineering, Engineering Physics Research Group, Faculty of Industrial Technology, Institut Teknologi Bandung, Jln. Ganesa 10, Bandung 40132, Indonesia
2Division of Precision Science & Technology, and Applied Physics, Osaka University, Suita, Osaka, 565 0871, Japan
 3 Physics Department, College of Science, De La Salle University, 2401 Taft Ave., Malate, Manila 1004, Philippines
 Email or

Abstract. Adsorption based on the immobilization of amino acids, i.e. leucine and glycine, on the surface of undoped polypyrrole (Ppy) is investigated. Calculations are done based on density functional theory using Gaussian03 software and applying GGA with 6-31G(d) basis set and exchange-correlation model of PBE (Perdew, Burke, Ernzerhof) level of theory. The energy of the Ppy doped with amino acids are minimized with respect to the orientation and distance of the amino acids to the Ppy. Neutral leucine carboxyl shows greater binding energy as compared to that other leucine configurations. It has adsorption energy of 0.25 eV at optimum distance of 2.2 from the surface of Ppy. As for the glycine, the zwitterionic carboxyl exhibits the strongest binding energy among other glycine configurations. It has adsorption energy of 0.76 eV at optimum distance of 1.7 from the surface of Ppy. The adsorption processes for both amino acids should proceed easily because the activation barriers are either absent or very small.

Keywords: adsorption; density functional theory; glycine; immobilization; leucine; polypyrrole

Download Article
Bahasa Indonesia | English


Begin on 10 October 2014 this website is no longer activated for article process in Journal of Mathematical and Fundamental Sciences, Journal of Engineering and Technological Sciences, Journal of ICT Research and Applications and Journal of Visual Art and Design. The next process will be proceeded under new website at

For detail information please contact us to:

       ITB Journal Visitor Number #24545946       
       Jl. Tamansari 64, Bandung 40116, Indonesia Visitor IP Address #       
       Tel : +62-22-250 1759 ext. 121 2011 Institut Teknologi Bandung       
       Fax : +62-22-250 4010, +62-22-251 1215 XHTML + CSS + RSS       
       E-mail : or Developed by AVE