Research Article | Volume: 8, Issue: 10, October, 2018

Interaction binding study of dimethylamylamine with functional monomers to design a molecular imprinted polymer for doping analysis

aeful Amin Sophi Damayanti Slamet Ibrahim   

Open Access   

Published:  Oct 31, 2018

DOI: 10.7324/JAPS.2018.81004

The selection of functional monomers for synthesis of Molecular Imprinting Polymers (MIPs) dimethylamylamine (DMAA) compound had been conducted by non-covalent interaction identification, i.e., hydrogen bonding with DMAA, as the template. The analysis of the template complex was performed by quantum mechanical calculation using B3LYP Density Functional Theory method. The emergence of spontaneous reactions and optimum bond energy indicated the stability of formed MIPs. The results showed the functional monomers, i.e., 2-acrylamide-1-ethanosulfonic acid, itaconic acid, methacrylic acid, acrylic acid, N-(2-hydroxyethyl) acrylamide, methyl 6-O-metacryloil-α-d-glucoside, and acrylamide could be an option of MIPs synthesis consideration for DMAA with good selectivity.

Keyword:     DMAA DFT hydrogen bonding MIPs.


Amin S, Damayanti S, Ibrahim S. Interaction binding study of dimethylamylamine with functional monomers to design a molecular imprinted polymer for doping analysis. J App Pharm Sci, 2018; 8(10): 025-031.

Copyright: © The Author(s). This is an open-access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

HTML Full Text


Budiawan M. Doping in sport. Presented on Seminar Nasional FMIPA UNDIKSHA III, Bali, Indonesia, 2013.

Fu X, Yang Q, Zhou Q, Lin Q, Wang C. Template-monomer interaction in molecular imprinting: Is the Strongest the Best? J Organ Poly Mat, 2015; 5:58–68.

Ishak N, Mohd NA, Azalina MN, Shafiqul IAKM. Computational modeling and synthesis of Molecular Imprinted Polymers for recognition of nitrate ion. Malaysian J Anal Sci, 2015; 19(4):866–73.

Kwan EE. An introduction to hydrogen bonding. Presented at An Evans Group Afternoon Seminar. Evans Group, Harvard University, USA, 2009.

Lorenzo, Concheiro. Handbook of molecularly imprinted polymers. Smithers Rapra Group, UK, 2013.

Pardeshi S, Ranjendra P, Rita D, Anupama K. Validation of computational approach to study monomer selectivity toward the template Gallic acid for rational molecularly imprinted polymer design. J Mol Model, 2012; 8:4797–810.

Rahayu. Termodinamika: Asas dasar dan terapan kimia. ITB, Bandung, Indonesia, 2006.

Riahi S, Tabrizi FS, Javanbakht M, Ganjali MR, Norouzi P. A computational approach to studying functional monomer selectivity towards the template in an imprinted polymer. J Mol Model, 2009; 15:829–36.

Sinko. Martin farmasi fisika dan ilmu farmasetika. EGC, Jakarta, Indonesia, 2012.

Saputra A, Karna W, Mohd NA, Iqmal T. Penggunaan metode semiempirik AM1 untuk pemilihan monomer fungsional efektif pada prasintesis polimer tercetak diazinon. Valensi, 2013; 3(1):1–8.

Standard, Jean M. Basis set notation. Chemistry 2015; 460:1–7.

Tahir I, Mohd NA, Dahyar A. Penggunaan metode semiempirik PM3 untuk evaluasi interaksi allopurinol-asam metakrilat untuk sintesis polimer tercetak molekul. Chem Prog, 2012a; 5(1):11–8.

Tahir I, Mohd NA, Shafiqul IKM, Dahyar A. Pemodel molekul polimer tercetak molekul asam borat untuk aplikasi quartz cristal mikrobalance. J Kimia, 2012b; 6(2):101–9.

United States Food and Drug Administration. FDA challenges marketing of DMAA products for lack of safety evidence. FDA News Release, 2012. [Online]. Available via PressAnnouncements/ucm302133.htm (Accessed 20 February 2016).

WADA. The World Anti-Doping Code The 2010 Prohibited List International Standard. 2010. [Online]. Available via http://wada-mainprod. (Accessed 20 February 2016). WADA. World anti-doping testing figures by Laboratory. World Anti-Doping Agency, New York, NY, 2014.

WADA. World anti-doping Code international standard Prohibited list. World Anti-Doping Agency, New York, NY, 2016.

Zhang Y, Ross MW, Zachary SB, Daniel WA. 1,3-Dimethylamylsamine (DMAA) in supplements and geranium products: natural or synthetic? Drug Test Anal, 2012; 4(12):1–5.

Article Metrics
584 Views 59 Downloads 643 Total



Related Search

By author names