Journal ArticleDOI
Computational approaches to design a molecular imprinted polymer for high selective extraction of 3,4-methylenedioxymethamphetamine from plasma
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TLDR
A molecular imprinted polymer as a novel selective sorbent for extraction of 3,4-methylenedioxymethamphetamine (MDMA) from plasma samples was prepared and the best suitable monomer and polymerization solvent for preparation of MIP is methacrylic acid (MAA) and chloroform, respectively.About:
This article is published in Journal of Chromatography A.The article was published on 2011-10-28. It has received 54 citations till now. The article focuses on the topics: Molecularly imprinted polymer & Polarizable continuum model.read more
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Molecular imprinting science and technology: a survey of the literature for the years 2004-2011.
TL;DR: A survey of the literature covering the development of molecular imprinting science and technology over the years 2004–2011 and efforts to apply these polymeric materials to a range of application areas is presented.
Journal ArticleDOI
Molecularly imprinted polymers for bioanalytical sample preparation.
TL;DR: Good performance of this type of sorbent for sample preparation procedures of complex matrices, especially prior to bioanalytical approaches is illustrated.
Journal ArticleDOI
Bio-Mimetic Sensors Based on Molecularly Imprinted Membranes
TL;DR: This review deals with the development of molecularly imprinted polymers and their different preparation methods and the application of these membranes as bio-mimetic sensor devices.
Journal ArticleDOI
Application of a magnetic molecularly imprinted polymer for the selective extraction and trace detection of lamotrigine in urine and plasma samples
Mohammad Behbahani,Saman Bagheri,Mostafa M. Amini,Hamid Sadeghi Abandansari,Hamid Reza Moazami,Akbar Bagheri +5 more
TL;DR: The applicability of the proposed method was evaluated by extraction and determination of LTG in urine and plasma samples and the obtained sorbent was characterized using scanning electron microscopy, Fourier-transform infrared spectroscopy, X-ray diffraction, and thermal analysis.
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Green Strategies for Molecularly Imprinted Polymer Development
TL;DR: This review intends to give examples reported in literature on green approaches to MIP development, from nano- to micron-scale applications, to improve MIP properties, such as controlled morphology, homogeneity of the binding sites, and the absence of organic solvents.
References
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Density‐functional thermochemistry. III. The role of exact exchange
TL;DR: In this article, a semi-empirical exchange correlation functional with local spin density, gradient, and exact exchange terms was proposed. But this functional performed significantly better than previous functionals with gradient corrections only, and fits experimental atomization energies with an impressively small average absolute deviation of 2.4 kcal/mol.
Journal ArticleDOI
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
TL;DR: Numerical calculations on a number of atoms, positive ions, and molecules, of both open- and closed-shell type, show that density-functional formulas for the correlation energy and correlation potential give correlation energies within a few percent.
Journal ArticleDOI
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
TL;DR: The authors assess various approximate forms for the correlation energy per particle of the spin-polarized homogeneous electron gas that have frequently been used in applications of the local spin density a...
Book
Density-functional theory of atoms and molecules
TL;DR: In this paper, a review of current studies in density functional theory and density matrix functional theory is presented, with special attention to the possible applications within chemistry, including the concept of an atom in a molecule, calculation of electronegativities from the Xα method, pressure, Gibbs-Duhem equation, Maxwell relations and stability conditions.
Journal ArticleDOI
Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules
TL;DR: In this article, an extended basis set of atomic functions expressed as fixed linear combinations of Gaussian functions is presented for hydrogen and the first row atoms carbon to fluorine, where each inner shell is represented by a single basis function taken as a sum of four Gaussians and each valence orbital is split into inner and outer parts described by three and one Gaussian function, respectively.
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Computational design and synthesis of molecular imprinted polymers with high selectivity for removal of aniline from contaminated water
Junhai Yao,Xin Li,Wu Qin +2 more