The Use of Computational Methods for the Development of Molecularly Imprinted Polymers
出版年份 2021 全文链接
标题
The Use of Computational Methods for the Development of Molecularly Imprinted Polymers
作者
关键词
-
出版物
Polymers
Volume 13, Issue 17, Pages 2841
出版商
MDPI AG
发表日期
2021-08-25
DOI
10.3390/polym13172841
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- Fabrication of water-compatible superparamagnetic molecularly imprinted biopolymer for clean separation of baclofen from bio-fluid samples: A mild and green approach
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- QbD approach by computer aided design and response surface methodology for molecularly imprinted polymer based on magnetic halloysite nanotubes for extraction of norfloxacin from real samples
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- Molecularly imprinted polymer for determination of lumefantrine in human plasma through chemometric-assisted solid-phase extraction and liquid chromatography
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- Hyperbranched Glycopolymers of 2-(α-d-Mannopyranose) Ethyl Methacrylate and N,N’-Methylenebisacrylamide: Synthesis, Characterization and Multivalent Recognitions with Concanavalin A
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- Selective extraction of organophosphorous pesticides in plasma by magnetic molecularly imprinted polymers with the aid of computational design
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- New Potentiometric Sensor Based on Molecularly Imprinted Polymer for Dipicolinic Acid Detection in Aqueous Media
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- Preparation of a magnetic molecularly imprinted polymer for the selective adsorption of chlordiazepoxide and its determination by central composite design optimized HPLC
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- A molecularly imprinted polymer coupled with high-performance liquid chromatography-UV for the determination of albendazole in plasma and urine samples: CCD-RSM design
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- Simple and selective detection of quercetin in extracts of plants and food samples by dispersive-micro-solid phase extraction based on core–shell magnetic molecularly imprinted polymers
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- Application of molecularly imprinted polymer designed for the selective extraction of ketoprofen from wastewater
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- Selective extraction of 3,4-dihydroxybenzoic acid in Ilex chinensis Sims by meticulous mini-solid-phase microextraction using ternary deep eutectic solvent-based molecularly imprinted polymers
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- Morphine Sensing by a Green Modified Molecularly Imprinted Poly L-Lysine/Sodium Alginate−Activated Carbon/Glassy Carbon Electrode Based on Computational Design
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- Response Surface Methodology of Pre-Concentration of Chorophenols from Seawater Samples by Molecularly Imprinted Stir Bar Sorptive Extraction Combined with HPLC: Box–Behnken Design
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- Computational design as a green approach for facile preparation of molecularly imprinted polyarginine-sodium alginate-multiwalled carbon nanotubes composite film on glassy carbon electrode for theophylline sensing
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- A computational and experimental approach to develop minocycline-imprinted hydrogels and determination of their drug delivery performances
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- Theoretical and experimental research on self‐assembly system of molecularly imprinted polymers formed via chloramphenicol and methacrylic acid
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- Construction of a TiO2 -Fe3 O4 -decorated molecularly imprinted polymer nanocomposite for tartrazine degradation: Response surface methodology modeling and optimization
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- Application of Box-Behnken design in response surface methodology for the molecularly imprinted polymer pipette-tip solid phase extraction of methyl red from seawater samples and its determination by spectrophotometery
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- Fabrication of Multilayered Molecularly Imprinted Membrane for Selective Recognition and Separation of Artemisinin
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- Molecularly imprinted polymer/reduced graphene oxide‒based carbon‒paste sensor for highly sensitive determination of the anti‒HCV drug daclatasvir dihydrochloride
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- Multivariate optimization of an extraction procedure based on magnetic molecular imprinted polymer for the determination of polycyclic aromatic hydrocarbons in sea water
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- Hollow porous dummy molecularly imprinted polymer as a sorbent of solid-phase extraction combined with accelerated solvent extraction for determination of eight bisphenols in plastic products
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- Carvedilol-Imprinted Polymer: Rational design and selectivity studies
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- Electrochemiluminescence sensor based on upconversion nanoparticles and oligoaniline-crosslinked gold nanoparticles imprinting recognition sites for the determination of dopamine
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- Preparation of a chemiluminescence sensor for multi-detection of benzimidazoles in meat based on molecularly imprinted polymer
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- Dummy molecularly imprinted polymers based on a green synthesis strategy for magnetic solid-phase extraction of acrylamide in food samples
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- Ion-imprinted electrospun nanofibers of chitosan/1-butyl-3-methylimidazolium tetrafluoroborate for the dynamic expulsion of thorium (IV) ions from mimicked effluents
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- The influence of a methyl substituent on molecularly imprinted polymer morphology and recognition – Acrylic acid versus methacrylic acid
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- Rapid Analysis of Bitertanol in Agro-products Using Molecularly Imprinted Polymers-Surface-Enhanced Raman Spectroscopy
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- A novel magnetic ion imprinted polymer as a selective magnetic solid phase for separation of trace lead(II) ions from agricultural products, and optimization using a Box–Behnken design
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- Dummy template molecularly imprinted polymer for solid phase extraction of phenothiazines in meat based on computational simulation
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- Dual-dummy-template molecularly imprinted polymer combining ultra performance liquid chromatography for determination of fluoroquinolones and sulfonamides in pork and chicken muscle
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- Computation-Assisted Molecularly Imprinted Polymer Synthesis for Extraction of Naltrexone from Urine Using Experimental Design and Determination by UPLC–DAD
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- Recognition of 5-fluorouracil by thermosensitive magnetic surface molecularly imprinted microspheres designed using a computational approach
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- An imprinted interpenetrating polymer network for microextraction in packed syringe of carbamazepine
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- Hollow porous molecularly imprinted polymer for highly selective clean-up followed by influential preconcentration of ultra-trace glibenclamide from bio-fluid
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- Synthesis and application of in-situ molecularly imprinted silica monolithic in pipette-tip solid-phase microextraction for the separation and determination of gallic acid in orange juice samples
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- A highly selective nanocomposite based on MIP for curcumin trace levels quantification in food samples and human plasma following optimization by central composite design
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- Preparation of dual-template molecularly imprinted polymer coated stir bar based on computational simulation for detection of fluoroquinolones in meat
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- Development of a molecularly imprinted polymer for a pharmaceutical impurity in supercritical CO 2 : Rational design using computational approach
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- Nano-sized molecularly imprinted polymer for selective ultrasound-assisted microextraction of pesticide Carbaryl from water samples: Spectrophotometric determination
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- Developing a highly sensitive electrochemical sensor using thiourea-imprinted polymers based on an MWCNT modified carbon ceramic electrode
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- Experimental design-artificial neural network-genetic algorithm optimization and computer-assisted design of celecoxib molecularly imprinted polymer/carbon nanotube sensor
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- Colorimetric sensor arrays based on pattern recognition for the detection of nitroaromatic molecules
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- Study of structural parameters on the adsorption selectivity of a molecularly imprinted polymer
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- In silico characterization of enantioselective molecularly imprinted binding sites
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- The selectivity of protein-imprinted gels and its relation to protein properties: A computer simulation study
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- Efficient discovery and capture of new neuronal nitric oxide synthase-postsynaptic density protein-95 uncouplers from herbal medicines using magnetic molecularly imprinted polymers as artificial antibodies
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- Computer-aided design and synthesis of a highly selective molecularly imprinted polymer for the extraction and determination of buprenorphine in biological fluids
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- Computer-aided design and synthesis of CdTe@SiO2core-shell molecularly imprinted polymers as a fluorescent sensor for the selective determination of sulfamethoxazole in milk and lake water
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- Configurational Simulations and Theoretical Calculations of Molecularly Imprinted Polymers of Histamine and 2-(Trifluoromethyl)acrylic Acid Based on Computational Chemistry
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- Theoretical Studies of Cortisol-Imprinted Prepolymerization Mixtures: Structural Insights into Improving the Selectivity of Affinity Sensors
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- Synthesis and application of selective adsorbent for pirimicarb pesticides in aqueous media using allyl-β -cyclodextrin based binary functional monomers
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- Highly selective solid phase extraction and preconcentration of Azathioprine with nano-sized imprinted polymer based on multivariate optimization and its trace determination in biological and pharmaceutical samples
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- Molecularly imprinted polymers based biomimetic sensors for mosapride citrate detection in biological fluids
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- Synthesis and application of molecularly imprinted polymer for highly selective solid phase extraction trace amount of sotalol from human urine samples: Optimization by central composite design (CCD)
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- Water compatible molecularly imprinted nanoparticles as a restricted access material for extraction of hippuric acid, a biological indicator of toluene exposure, from human urine
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- Magnetic Solid-phase Extraction with Fe3O4/Molecularly Imprinted Polymers Modified by Deep Eutectic Solvents and Ionic Liquids for the Rapid Purification of Alkaloid Isomers (Theobromine and Theophylline) from Green Tea
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- Theoretical guidance for experimental research of the dicyandiamide and methacrylic acid molecular imprinted polymer
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- Rational design, preparation and adsorption study of a magnetic molecularly imprinted polymer using a dummy template and a bifunctional monomer
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- A simple extraction method for norfloxacin from pharmaceutical wastewater with a magnetic core–shell molecularly imprinted polymer with the aid of computer simulation
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- A comprehensive theoretical study of structural optimization, interaction energies calculations and solvent effects between ractopamine and functional monomers in molecular imprinting polymers
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- Water sorption isotherms of molecularly imprinted polymers. Relation between water binding and iprodione binding capacity
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- Highly Selective Polypyrrole MIP-Based Gravimetric and Electrochemical Sensors for Picomolar Detection of Glyphosate
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- Molecularly Imprinted Sol-Gel-Based QCM Sensor Arrays for the Detection and Recognition of Volatile Aldehydes
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- MIP-based protein profiling: A method for interspecies discrimination
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- Development of molecularly imprinted polymers-surface-enhanced Raman spectroscopy/colorimetric dual sensor for determination of chlorpyrifos in apple juice
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- Computational design of molecularly imprinted polymer for direct detection of melamine in milk
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- Experimental and theoretical investigation of the complexation of methacrylic acid and diisopropyl urea
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- Preparation and characterization of magnetic molecularly imprinted polymers for the extraction of hexamethylenetetramine in milk samples
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- A novel quartz crystal microbalance sensor array based on molecular imprinted polymers for simultaneous detection of clenbuterol and its metabolites
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- Rapid ultrasound-assisted magnetic microextraction of gallic acid from urine, plasma and water samples by HKUST-1-MOF-Fe 3 O 4 -GA-MIP-NPs: UV–vis detection and optimization study
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- Ultrasound assisted combined molecularly imprinted polymer for selective extraction of nicotinamide in human urine and milk samples: Spectrophotometric determination and optimization study
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- Quantum investigation into intermolecular interactions between bisphenol A and 2-vinyl/4-vinylpyridine: Theoretical insight into molecular imprinting complexes
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- The selective response of a templated polymer for the cationic drug pentamidine: implications from molecular simulations and experimental data
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- Development of a Lower Toxic Approach Based on Green Synthesis of Water-Compatible Molecularly Imprinted Nanoparticles for the Extraction of Hydrochlorothiazide from Human Urine
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- Small-Molecule Dengue Virus Co-imprinting and Its Application as an Electrochemical Sensor
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- Molecularly imprinted polymer based extended-gate field-effect transistor chemosensors for phenylalanine enantioselective sensing
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- Development of Molecularly Imprinted Olanzapine Nano-particles: In Vitro Characterization and In Vivo Evaluation
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- Preparation of molecularly imprinted solid-phase microextraction fiber for the selective removal and extraction of the antiviral drug abacavir in environmental and biological matrices
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- Computational design and multivariate optimization of an electrochemical metoprolol sensor based on molecular imprinting in combination with carbon nanotubes
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- Ultrasensitive detection of endotoxins using computationally designed nanoMIPs
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- Oxytetracycline recovery from aqueous media using computationally designed molecularly imprinted polymers
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- Molecularly Imprinted Polymer Integrated with a Surface Acoustic Wave Technique for Detection of Sulfamethizole
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- Potentiometric chemosensor for neopterin, a cancer biomarker, using an electrochemically synthesized molecularly imprinted polymer as the recognition unit
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- ADSORPTION PROCESS OF MOLECULARLY IMPRINTED SILICA FOR EXTRACTION OF LACTOSE FROM MILK
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- Development of imprinted polyneutral red/electrochemically reduced graphene oxide composite for ultra-trace sensing of 6-thioguanine
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- Theoretical investigation on functional monomer and solvent selection for molecular imprinting of tramadol
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- Employment of Molecularly Imprinted Polymers to High-Throughput Screen nNOS-PSD-95 Interruptions: Structure and Dynamics Investigations on Monomer-Template Complexation
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- Detection of aspartame via microsphere-patterned and molecularly imprinted polymer arrays
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- Application of the artificial neural network and imperialist competitive algorithm for optimization of molecularly imprinted solid phase extraction of methylene blue
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- Computational Design, Synthesis and Application of a New Selective Molecularly Imprinted Polymer for Electrochemical Detection
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- The effect of crosslinking density on molecularly imprinted polymer morphology and recognition
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- An Electrochemical Nanosensor Based on Molecularly Imprinted Polymer (MIP) for Detection of Gallic Acid in Fruit Juices
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- Development of dummy molecularly imprinted based on functionalized silica nanoparticles for determination of acrylamide in processed food by matrix solid phase dispersion
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- Fabrication of a molecularly imprinted polymer immobilized membrane with nanopores and its application in determination of β2-agonists in pork samples
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- Fabrication of a biomimetic adsorbent imprinted with a common specificity determinant for the removal of α- and β-amanitin from plasma
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- Computational-aided design of magnetic ultra-thin dummy molecularly imprinted polymer for selective extraction and determination of morphine from urine by high-performance liquid chromatography
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- Synthesis of lab-in-a-pipette-tip extraction using hydrophilic nano-sized dummy molecularly imprinted polymer for purification and analysis of prednisolone
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- Rapid Detection of Melamine in Tap Water and Milk Using Conjugated “One-Step” Molecularly Imprinted Polymers-Surface Enhanced Raman Spectroscopic Sensor
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- Computational investigation of stoichiometric effects, binding site heterogeneities, and selectivities of molecularly imprinted polymers
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- Computer-simulation-based selection of optimal monomer for imprinting of tri-O-acetyl adenosine in a polymer matrix: calculations for benzene solution
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- Computer-aided design and synthesis of magnetic molecularly imprinted polymers with high selectivity for the removal of phenol from water
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- State-of-the-art applications of cyclodextrins as functional monomers in molecular imprinting techniques: a review
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- Design of a New Molecularly Imprinted Polymer Selective for Hydrochlorothiazide Based on Theoretical Predictions Using Gibbs Free Energy
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- In Silico Synthesis of Synthetic Receptors: A Polymerization Algorithm
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- Temperature and magnetism bi-responsive molecularly imprinted polymers: Preparation, adsorption mechanism and properties as drug delivery system for sustained release of 5-fluorouracil
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- Experimental design of membrane sensor for selective determination of phenazopyridine hydrochloride based on computational calculations
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- Synthesis of nano-sized stereoselective imprinted polymer by copolymerization of (S)-2-(acrylamido) propanoic acid and ethylene glycol dimethacrylate in the presence of racemic propranolol and copper ion
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- In silico screening of molecular imprinting prepolymerization systems: oseltamivir selective polymers through full-system molecular dynamics-based studies
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- Synthesis of surface molecularly imprinting polymers for cordycepin and its application in separating cordycepin
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- Pyrene-imprinted polythiophene sensors for detection of polycyclic aromatic hydrocarbons
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- Computationally modelled receptors for drug monitoring using an optical based biomimetic SPR sensor
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- Rational design of molecularly imprinted polymers
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- Measurement artifacts identified in the UV–vis spectroscopic study of adduct formation within the context of molecular imprinting of naproxen
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- 1,4-dihydroxyanthraquinone electrochemical sensor based on molecularly imprinted polymer using multi-walled carbon nanotubes and multivariate optimization method
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- Separation of octopamine racemate on (R,S)-2-amino-1-phenylethanol imprinted polymer – Experimental and computational studies
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- Selective determination of cocaine and its metabolite benzoylecgonine in environmental samples by newly developed sorbent materials
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- Novel strategy for synthesis of magnetic dummy molecularly imprinted nanoparticles based on functionalized silica as an efficient sorbent for the determination of acrylamide in potato chips: Optimization by experimental design methodology
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- Synthesis and application of molecularly imprinted nanoparticles combined ultrasonic assisted for highly selective solid phase extraction trace amount of celecoxib from human plasma samples using design expert (DXB) software
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- Ultrasonic-assisted magnetic solid phase extraction of morphine in urine samples by new imprinted polymer-supported on MWCNT-Fe 3 O 4 -NPs: Central composite design optimization
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- An electropolymerized molecularly imprinted polymer for selective carnosine sensing with impedimetric capacity
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- The ReaxFF reactive force-field: development, applications and future directions
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- Experimental Mixture Design as a Tool for the Synthesis of Antimicrobial Selective Molecularly Imprinted Monodisperse Microbeads
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- Magnetic high throughput screening system for the development of nano-sized molecularly imprinted polymers for controlled delivery of curcumin
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- Preparation and application of molecularly imprinted polymer for isolation of chicoric acid from Chicorium intybus L. medicinal plant
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- Determination of histamine in canned tuna by molecularly imprinted polymers-surface enhanced Raman spectroscopy
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- Surface molecular imprinting on hybrid SiO 2 -coated CdTe nanocrystals for selective optosensing of bisphenol A and its optimal design
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- A novel molecularly imprinted method with computational simulation for the affinity isolation and knockout of baicalein fromScutellaria baicalensis
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- Nicotine molecularly imprinted polymer: Synergy of coordination and hydrogen bonding
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- Cytosine derivatized bis(2,2′-bithienyl)methane molecularly imprinted polymer for selective recognition of 6-thioguanine, an antitumor drug
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- Selective fluorescent sensing of α-amanitin in serum using carbon quantum dots-embedded specificity determinant imprinted polymers
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- Synthesis and application of a molecularly imprinted polymer for the voltammetric determination of famciclovir
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- In silico designed nanoMIP based optical sensor for endotoxins monitoring
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- Preparation and characterization of molecular imprinted polymer functionalized with core/shell magnetic particles (Fe 3 O 4 @SiO 2 @MIP) for the simultaneous recognition and enrichment of four taxoids in Taxus × media
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- Synthesis, characterization, and theoretical study of an acrylamide-based magnetic molecularly imprinted polymer for the recognition of sulfonamide drugs
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- Voltammetric Determination of Uric Acid Based on Molecularly Imprinted Polymer Modified Carbon Paste Electrode
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- DEVELOPMENT OF AN ELECTROCHEMICAL SENSOR MODIFIED WITH MWCNT-COOH AND MIP FOR DETECTION OF DIURON
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- Preparation of malathion MIP-SPE and its application in environmental analysis
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- Rational design of molecularly imprinted polymers for recognition of cannabinoids: A structure–property relationship study
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- Hydrogen bond diversity in the pre-polymerization stage contributes to morphology and MIP-template recognition – MAA versus MMA
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- Detection of melamine in milk using molecularly imprinted polymers–surface enhanced Raman spectroscopy
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- Rational design and preparation of dibenzothiophene-targeting molecularly imprinted polymers with molecular dynamics approaches and surface-initiated activators regenerated by electron-transfer atom-transfer radical polymerization
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- Molecular dynamics simulations of molecularly imprinted polymer approaches to the preparation of selective materials to remove norfloxacin
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- Molecularly imprinted polymer prepared by Pickering emulsion polymerization for removal of acephate residues from contaminated waters
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- ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
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- New sensing material of molecularly imprinted polymer for the selective recognition of sulfamethoxazole in foods and plasma and employing the Taguchi optimization methodology to optimize the carbon paste electrode
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- Selective recognition of veterinary drugs residues by artificial antibodies designed using a computational approach
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- Imprinted polymers for chiral resolution of (±)-ephedrine. Part 3:NMR predictions and HPLC results with alternative functional monomers
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- Preliminary evaluation of new polymer matrix for solid-phase extraction of nonylphenol from water samples
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- Computational design and synthesis of molecular imprinted polymers with high selectivity for removal of aniline from contaminated water
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- Synthesis and application of a peroxidase-like molecularly imprinted polymer based on hemin for selective determination of serotonin in blood serum
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- Rational Design and Study on Recognition Property of Paracetamol-Imprinted Polymer
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- The requisite level of theory for the computational design of molecularly imprinted silica xerogels
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- A Phosphotyrosine-Imprinted Polymer Receptor for the Recognition of Tyrosine Phosphorylated Peptides
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- Semiquinone in Molecularly Imprinted Hybrid Amino Acid−SiO2Biomimetic Materials. An Experimental and Theoretical Study
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- Functional Mimicry of Carboxypeptidase A by a Combination of Transition State Stabilization and a Defined Orientation of Catalytic Moieties in Molecularly Imprinted Polymers
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- Chemometric-assisted MIP-optosensing system for the simultaneous determination of monoamine naphthalenes in drinking waters
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