Molecularly imprinted solid phase extraction for simultaneous determination of Δ9-tetrahydrocannabinol and its main metabolites by gas chromatography–mass spectrometry in urine samples

Nestić, Marina; Babić, Sandra; Pavlović, Dragana Mutavdžić; Sutlović, Davorka

doi:10.1016/j.forsciint.2013.06.009

Cited by 30 publications

(16 citation statements)

References 22 publications

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“…In the molecularly imprinted polymer (MIP) approach, a specific protocol creates explicit nano‐cavities with high affinity and selectivity that are capable of recognizing and binding a probable target molecule. MIPs have attracted lots of interest in many fields such as solid phase extraction, chiral separation, immune‐like assay, antibody simulation, chemical sensors, drug delivery, and wastewater treatment due to their extremely high recognition performance, low cost, high physical and chemical stability, and application tailor‐made recognition sites.…”

Section: Introductionmentioning

confidence: 99%

Quantum mechanical studies on dioxin‐imprinted polymer precursor composites: Fundamental insights to enhance the binding strength and selectivity of biomarkers

Khan

Pal

2018

J of Molecular Recognition

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We present a benchmark study of binding energies for dioxin-imprinted polymer complexes. A density functional theory approach was used for screening the polymerization precursors in the rational design of molecularly imprinted polymers (MIPs). Tetrachlorodibenzo-p-dioxin (TCDD) was taken as an imprinted molecule. The geometry optimization, natural bond orbital charge, and molecular electrostatic potential of TCDD and acrylamide (AM) were studied at the M062X level and 6-31G(d,p) belonging to one of the hybrid density functional theories. The results of molecular electrostatic potential and natural bond orbital charge analysis were comparable. Among the studied functional monomers-AM, methacrylic acid (MAA), itaconic acid, and vinyl pyridine-AM was confirmed as the best functional monomer, because the strongest interaction (the maximum number of hydrogen bonds and the lowest binding energy) occurs between TCDD and AM. The stability property was excellent when the ratio of TCDD and AM was 1:4. The polarizable continuum model was used for solvent calculations. Computational results showed that acetonitrile plays an important role in the MIP formation, as it seems to control the size and the shape of the cavity. The atoms in molecule and Becke surface method have also been applied to understand the nature and strength of the hydrogen bonding interactions in complexes. TCDD-AM complexes were found involving C-O···Cl and N-H···Cl hydrogen bonds. Good correlations have been established between hydrogen bond lengths versus atoms in molecule topological parameter like electron density ρ(r) and its Laplacian ▽ ρ(r) at the bond critical points. On ground of theoretical results, a series of MIPs were synthesized. The MIP prepared using TCDD as the template, the functional monomer (AM), and the cross-linker (TRIM) in acetonitrile solvent exhibited the highest adsorption capacity for TCDD. The maximum binding capacity of TCDD on the MIP was 3.7 μg/mg. This research work can provide a theoretical reference for the fabrication and characterization of novel TCDD-MIPs for environmental applications.

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Section: Introductionmentioning

confidence: 99%

Quantum mechanical studies on dioxin‐imprinted polymer precursor composites: Fundamental insights to enhance the binding strength and selectivity of biomarkers

Khan

Pal

2018

J of Molecular Recognition

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“…Cannabinoids like marijuana and hashish are the most commonly used illicit drug [10,11,12]. Nestic et al reported a combination of MIP integrated with gas chromatography (GC-MS) for simultaneous determination of tetrahydrocannabinol and its main metabolite in urine samples.…”

Section: Imprinting Approaches For Forensic Sciencementioning

confidence: 99%

“…Nestic et al reported a combination of MIP integrated with gas chromatography (GC-MS) for simultaneous determination of tetrahydrocannabinol and its main metabolite in urine samples. They reported that the performance of the method completely meets the requirements of toxicological analysis although the extraction recovery, LOD and lower limit of quantification (LLOQ) only suggested performance comparable with the described method in the light of results they achieved [10]. Sanchez-Gonzalez et al also reported a micro-solid extractor for cannabinoids for assessing plasma and urine analysis of marijuana abusers by the combination of MIPS with a HPLC-MS/MS system.…”

Section: Imprinting Approaches For Forensic Sciencementioning

confidence: 99%

Molecular Imprinting Applications in Forensic Science

Yılmaz

Gari̇pcan

Uzun

2017

Sensors

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Producing molecular imprinting-based materials has received increasing attention due to recognition selectivity, stability, cast effectiveness, and ease of production in various forms for a wide range of applications. The molecular imprinting technique has a variety of applications in the areas of the food industry, environmental monitoring, and medicine for diverse purposes like sample pretreatment, sensing, and separation/purification. A versatile usage, stability and recognition capabilities also make them perfect candidates for use in forensic sciences. Forensic science is a demanding area and there is a growing interest in molecularly imprinted polymers (MIPs) in this field. In this review, recent molecular imprinting applications in the related areas of forensic sciences are discussed while considering the literature of last two decades. Not only direct forensic applications but also studies of possible forensic value were taken into account like illicit drugs, banned sport drugs, effective toxins and chemical warfare agents in a review of over 100 articles. The literature was classified according to targets, material shapes, production strategies, detection method, and instrumentation. We aimed to summarize the current applications of MIPs in forensic science and put forth a projection of their potential uses as promising alternatives for benchmark competitors.

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“…The application of mathematical and statistical methods to chemical data is a discipline within computational science referred to as chemometrics [127][128][129]; its development has led to improved or simplified selection of optimal experimental parameters as well as the extraction of significant information generated from multivariate data analysis. It is important to note that in the field of chemometrics it is recommended to use an experimental design, in which the factors are systematically and simultaneously varied.…”

Section: Multivariate Statistical Analysesmentioning

confidence: 99%

Molecularly Imprinted Polymers in Biotechnology

Mattìasson¹,

Ye²

2015

Advances in Biochemical Engineering/Biotechnology

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Aims and ScopeThis book series reviews current trends in modern biotechnology and biochemical engineering. Its aim is to cover all aspects of these interdisciplinary disciplines, where knowledge, methods and expertise are required from chemistry, biochemistry, microbiology, molecular biology, chemical engineering and computer science.Volumes are organized topically and provide a comprehensive discussion of developments in the field over the past 3-5 years. The series also discusses new discoveries and applications. Special volumes are dedicated to selected topics which focus on new biotechnological products and new processes for their synthesis and purification.In general, volumes are edited by well-known guest editors. The series editor and publisher will, however, always be pleased to receive suggestions and supplementary information. Manuscripts are accepted in English.In references, Advances in Biochemical Engineering/Biotechnology is abbreviated as Adv. Biochem. Engin./Biotechnol. and cited as a journal.More information about this series at

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Molecularly imprinted solid phase extraction for simultaneous determination of Δ9-tetrahydrocannabinol and its main metabolites by gas chromatography–mass spectrometry in urine samples

Cited by 30 publications

References 22 publications

Quantum mechanical studies on dioxin‐imprinted polymer precursor composites: Fundamental insights to enhance the binding strength and selectivity of biomarkers

Quantum mechanical studies on dioxin‐imprinted polymer precursor composites: Fundamental insights to enhance the binding strength and selectivity of biomarkers

Molecular Imprinting Applications in Forensic Science

Molecularly Imprinted Polymers in Biotechnology

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