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Immobilization of leucine on polypyrrole for biosensor applications: A density functional theory study
Dipojono H.K.a, Syafitri I.a, Nugraha N.a, Saputro A.G.a
a Laboratory of Quantum Engineering and Computational Material Design, Faculty of Industrial Technology, Institut Teknologi Bandung, Indonesia
[vc_row][vc_column][vc_row_inner][vc_column_inner][vc_separator css=”.vc_custom_1624529070653{padding-top: 30px !important;padding-bottom: 30px !important;}”][/vc_column_inner][/vc_row_inner][vc_row_inner layout=”boxed”][vc_column_inner width=”3/4″ css=”.vc_custom_1624695412187{border-right-width: 1px !important;border-right-color: #dddddd !important;border-right-style: solid !important;border-radius: 1px !important;}”][vc_empty_space][megatron_heading title=”Abstract” size=”size-sm” text_align=”text-left”][vc_column_text]Adsorption based immobilization of amino acids leucine on the surface of undoped polypyrrole (Ppy) is investigated. Calculations are done based on density functional theory using Gaussian03 software and applying GGA exchange-correlation model of PBE (Perdew, Burke, Ernzerhof) with 6-31G(d) basis set. 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 glycine configurations. It has adsorption energy of 0.25 eV at optimum distance of 2.2 Å from the surface of Ppy.[/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”Author keywords” size=”size-sm” text_align=”text-left”][vc_column_text]A-density,Adsorption densities,Adsorption energies,Basis sets,Biosensor applications,Exchange-correlations,Gaussian03[/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”Indexed keywords” size=”size-sm” text_align=”text-left”][vc_column_text]Adsorption,Density functional theory,Leucine,Polypyrrole[/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”Funding details” size=”size-sm” text_align=”text-left”][vc_column_text][/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”DOI” size=”size-sm” text_align=”text-left”][vc_column_text]https://doi.org/10.1109/ICICI-BME.2009.5417306[/vc_column_text][/vc_column_inner][vc_column_inner width=”1/4″][vc_column_text]Widget Plumx[/vc_column_text][/vc_column_inner][/vc_row_inner][/vc_column][/vc_row][vc_row][vc_column][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][/vc_column][/vc_row]