Journal of Polymer and Biopolymer Physics Chemistry
ISSN (Print): 2373-3403 ISSN (Online): 2373-3411 Website: http://www.sciepub.com/journal/jpbpc Editor-in-chief: Martin Alberto Masuelli
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Journal of Polymer and Biopolymer Physics Chemistry. 2017, 5(1), 10-12
DOI: 10.12691/jpbpc-5-1-2
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Study of Target Recognition of MAA-based Molecularly Imprinted Polymer (MIP) Using Density Functional Theory (DFT) Computation on the Interaction of Methacrylic Acid (MAA)-D-Glucose

Widayani1, , T D K Wungu1, 2, S E Marsha1 and Suprijadi2, 3

1Nuclear Physics and Biophysics Research Division, Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung, Bandung, Indonesia

2Research Center for Nanosciences and Nanotechnology Institut Teknologi Bandung, Bandung, Indonesia

3High Energy Physics Theory and Instrumentation Physics Research Division, Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung, Bandung, Indonesia

Pub. Date: September 29, 2017

Cite this paper:
Widayani, T D K Wungu, S E Marsha and Suprijadi. Study of Target Recognition of MAA-based Molecularly Imprinted Polymer (MIP) Using Density Functional Theory (DFT) Computation on the Interaction of Methacrylic Acid (MAA)-D-Glucose. Journal of Polymer and Biopolymer Physics Chemistry. 2017; 5(1):10-12. doi: 10.12691/jpbpc-5-1-2

Abstract

Methacrylic Acid (MAA) based Molecularly Imprinted Polymer (MIP) is potentially used as an active material for biosensor. MIP is prepared to contain cavities that are leaved by template molecules. In the next time, target molecules that have a similar physical structure and properties with that of target molecules, can be trapped in the cavities. The main mechanism of the target recognition is the similarity of the space structure of the cavities and target molecules, but the molecular interaction between MAA and target molecules is also important. In this study, the interaction between two MAA molecules and one D-Glucose molecule is investigated using the Density Functional Theory (DFT). In the calculation, the Gaussian 09 with B3LYP and 631+G(d) basis sets is used to calculate all the electronic properties. The presence of the interaction was observed through the changes of the distances between specified atoms of the two molecules. The result is in line with the previous experimental study on potentiometric measurement of MAA-based MIP sensor for D-glucose as target molecule.

Keywords:
D-glucose template MAA-based molecularly imprinted polymer DFT

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References:

[1]  H. Marie, Elaboration of a new sensor based on molecularly imprinted polymers for the detection of molecules in physiological fluids, Thesis, Université de Technologie de Compiégne, 2013.
 
[2]  M. J. Whitcombe, I.Chianella, L.Larcombe, S. A. Piletsky, J. Noble, R. Porter, A.Horgan, Chemical Society reviews 40, pp 1547-1571 (2011).
 
[3]  S. Wei and V. Mizaikoff, J. Separation Science 30, 1794-1805 (2007).
 
[4]  O. Ramström and K. Mosbach, Current Opinion in Chemical Biology36, 759-764 (1999).
 
[5]  R. Liang, R. Zhang, W. Qin, Sensor and Actuators B-Chemical141, 544-550 (2009).
 
[6]  Suedee R, Pharm Anal Acta 4: 264, (2013).
 
[7]  I. Royani, Widayani, M. Abdullah,Khairurrijal, Advanced Materials Research896, 89-94 (2014).
 
[8]  S. Manju, P. R. Hari, K. Sreenivasan, Biosensors and Bioelectronics26, 894-897 (2010).
 
[9]  B. Okutucu and S. Önal, Talanta 87, 74-79 (2011).
 
[10]  M. S. Tehrani, M.T.Vardini, P.A.Azar, S. W. Husain, Int. J. Electrochem. Sci.5, 88-104 (2010).
 
[11]  Widayani, Yanti, Triati Dewi Kencana Wungu, Suprijadi, Preliminary Study of Molecularly Imprinted Polymer-based Potentiometric Sensor for Glucose, Procedia Engineering (2017), pp. 84-87, Elsevier.
 
[12]  T D K Wungu, S E Marsha, Widayani and Suprijadi, Density Functional Theory (DFT) Study of Molecularly Imprinted Polymer (MIP) Methacrylic Acid (MAA) with D-Glucose, IOP Conference Series: Materials Science and Engineering, Volume 214, conference 1, 2016.
 
[13]  Yanti, T Nurhayati, I Royani, Widayani, and Khairurrijal, Synthesis and characterization of MAA-based molecularly-imprinted polymer (MIP) with D-glucose template , Journal of Physics: Conference Series 739 (2016) 012143, 6th Asian Physics Symposium, IOP Publishing, 2016.