PMID- 21944846
OWN - NLM
STAT- MEDLINE
DCOM- 20111229
LR  - 20131121
IS  - 1873-3778 (Electronic)
IS  - 0021-9673 (Linking)
VI  - 1218
IP  - 43
DP  - 2011 Oct 28
TI  - Computational approaches to design a molecular imprinted polymer for high 
      selective extraction of 3,4-methylenedioxymethamphetamine from plasma.
PG  - 7739-47
LID - 10.1016/j.chroma.2011.08.020 [doi]
AB  - In this work, a molecular imprinted polymer (MIP) as a novel selective sorbent 
      for extraction of 3,4-methylenedioxymethamphetamine (MDMA) from plasma samples 
      was prepared. For selecting a more suitable monomer and polymerization solvent a 
      methodology based on density functional theory calculations was developed. This 
      computational design is based on the comparison of stabilization energies of the 
      prepolymerization adducts between the template and different functional monomers. 
      The effect of polymerization solvent was studied using of polarizable continuum 
      model (PCM). The computational results revealed that the best suitable monomer 
      and polymerization solvent for preparation of MIP is methacrylic acid (MAA) and 
      chloroform, respectively. Also, another MIP with methacrylic acid (MAA) as 
      monomer in acetonitrile was prepared to evaluate the validity of polarizable 
      continuum model for selection of polymerization solvent. The performance of each 
      polymer was evaluated by using Langmuir-Freundlich (LF) isotherm. As it is 
      expected, the best results were obtained for the MIP which was prepared in 
      chloroform. This MIP was used as a selective sorbent in solid-phase extraction 
      coupled with high performance liquid chromatography-ultraviolet detector 
      (MISPE-HPLC-UV) for rapid screening of MDMA in human plasma. For the proposed 
      MISPE-HPLC-UV method, the linearity between responses (peak areas) and 
      concentrations was found over the range of 3.6-11500 ng mL(-1) with a linear 
      regression coefficient of 0.998. The limit of detection (LOD) and quantification 
      (LOQ) in plasma were 1.0 and 3.3 ng mL(-1), respectively. The %RSD (n=5) data for 
      five plasma samples containing 15, 25, 50, and 100 ng mL(-1) of MDMA were 1.02, 
      1.12, 2.05, 2.54, respectively.
CI  - Copyright (c) 2011 Elsevier B.V. All rights reserved.
FAU - Ahmadi, Farhad
AU  - Ahmadi F
AD  - Department of Medicinal Chemistry, Faculty of Pharmacy, Kermanshah University of 
      Medical Sciences, Bagh Abrisham, Kermanshah, Iran. fahmadi@kums.ac.ir
FAU - Ahmadi, Jafar
AU  - Ahmadi J
FAU - Rahimi-Nasrabadi, Mehdi
AU  - Rahimi-Nasrabadi M
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20110812
PL  - Netherlands
TA  - J Chromatogr A
JT  - Journal of chromatography. A
JID - 9318488
RN  - 0 (Acetonitriles)
RN  - 0 (Methacrylates)
RN  - 1CS02G8656 (methacrylic acid)
RN  - 7V31YC746X (Chloroform)
RN  - KE1SEN21RM (N-Methyl-3,4-methylenedioxyamphetamine)
RN  - Z072SB282N (acetonitrile)
SB  - IM
MH  - Acetonitriles/chemistry
MH  - Chloroform/*chemistry
MH  - Chromatography, High Pressure Liquid
MH  - *Computer-Aided Design
MH  - Humans
MH  - Hydrogen-Ion Concentration
MH  - Linear Models
MH  - Methacrylates/*chemistry
MH  - Models, Chemical
MH  - Models, Molecular
MH  - Molecular Imprinting/*methods
MH  - N-Methyl-3,4-methylenedioxyamphetamine/*blood/isolation & purification
MH  - Reproducibility of Results
MH  - Sensitivity and Specificity
EDAT- 2011/09/29 06:00
MHDA- 2011/12/30 06:00
CRDT- 2011/09/28 06:00
PHST- 2011/04/03 00:00 [received]
PHST- 2011/06/29 00:00 [revised]
PHST- 2011/08/07 00:00 [accepted]
PHST- 2011/09/28 06:00 [entrez]
PHST- 2011/09/29 06:00 [pubmed]
PHST- 2011/12/30 06:00 [medline]
AID - S0021-9673(11)01185-X [pii]
AID - 10.1016/j.chroma.2011.08.020 [doi]
PST - ppublish
SO  - J Chromatogr A. 2011 Oct 28;1218(43):7739-47. doi: 10.1016/j.chroma.2011.08.020. 
      Epub 2011 Aug 12.