Molecularly Imprinted Polymer Research Articles

Computational and experimental investigation on functional monomer selection for a novel molecularly imprinting polymer of remdesivir

Molecularly-imprinted polymers (MIPs) are a sample preparation technique with a functional cavity that can rebind the same or similar analyte to the template. It also can increase the selectivity of the analytical method. Computational approaches are capable of making predictions about the most optimal synthesis conditions, including the most appropriate monomers and solvents. This study used the DFT method, GFN2-xTB, and molecular dynamics simulation to predict MIP synthesis’s best functional monomer, solvent, and stoichiometric ratio. Remdesivir (RMD), used as a template, has also never been developed to be made as MIP. The monomers were acrylic acid (AA), 2-hydroxyethyl methacrylate (HEMA), and acrylamide (AM). Laboratory testing, association constant, and Job plot analysis are carried out to confirm the results of computational tests. The polymer was synthesized using precipitation and characterized using SEM, FTIR, and TGA. The adsorption capacity was evaluated in two different solvents, i.e. acetonitrile (ACN) and water: ACN=9: 1 (v/v). Computational study results identified acrylamide as the most interactive ligand with RMD as a template. The results of molecular dynamics simulations identify that the RMD: AM=1: 1 complex is the most stable in terms of the radial distribution function, hydrogen bond occupancy, and Gibbs bond free energy. The adsorption ability test results show that MIP 1 and MIP 2 have imprinting factor values of 1.36 and 1.15, respectively.

Dual Recognition Strategy‐Based Transistor Sensor Array for Ultrasensitive and Multi‐Target Detection of Antibiotics

AbstractMulti‐target detection is a notable development direction in the field of analytical methods, boasting significant potential for breakthroughs in complex sample detection. Herein, an extended gate field‐effect transistor (EGFET) sensor array for ultrasensitive and multi‐target detection of antibiotics is developed. To enhance the recognition ability for diverse antibiotics, a dual‐recognition strategy based on tailor‐made molecularly imprinted polymer (MIP) and aptamer is adopted to fabricate the extended gate electrode (sensing electrode). The dual‐recognition strategy‐based EGFET exhibits superior sensitivity, selectivity, and stability compared to single recognition probes due to the synergistic effect of the affinities of MIP and specific aptamer. The developed sensor array can detect three types of antibiotics, including ampicillin, amoxicillin, and kanamycin, at the same time with record‐low detection limit (fM level) and a detection range spanning six orders of magnitude. The practical detection of antibiotics in various samples (tap water, river water, milk, honey, and artificial urine) further validates the feasibility of the sensor array in practical applications. The key advantages of flexibility, high sensitivity and selectivity, and multifunctionality demonstrate the high potential of EGFET sensor array for simultaneous detection of multiple target molecules.

Validation of a smartphone-compatible MIP-based sensor for bisphenol A determination in wastewater samples.

A handheld smartphone-compatible molecularly imprinted polymer (MIP)-based sensor was developed for the analysis of bisphenol A (BPA) in wastewater samples. Sensing elements based on ethylene glycol methacrylate phosphate (EGMP)-containing MIP films were designed and optimized using molecular dynamics simulations. The highly porous MIP films were synthesized via in situ polymerization, employing a fragment-based approach. The colorimetric response was based on the 4-aminoantipyrine method, while the MIP films were further utilized to detect BPA with a smartphone. The proposed sensor exhibited a wide linear range from 5 to 250μM, with a limit of detection (LOD) of 5μM (S/N = 3). Furthermore, the designed analytical system demonstrated excellent analytical performance in terms of selectivity, stability, and reproducibility. During sensor validation, real wastewater samples were successfully tested for BPA, showcasing the feasibility of the smartphone-compatible MIP-based sensor. Recovery values of 87.1-114.6% underscored the efficacy and reliability of the developed sensor system.

Molecularly Imprinted Electrochemical Sensor Constructed by Ferrocene‐Functionalized Carbon Nanotubes for Rapid Recognition and Determination of Tryptophan

AbstractMolecular imprinting is an advanced technology in the fabrication of novel chemical sensors recently applied, enabling rapid responses and highly selective binding to specific molecules, thereby enabling efficient detection of material constituents. In this study, a new molecularly imprinted electrochemical sensor (MIES) utilizing ferrocene‐functionalized carbon‐nanotubes (Fc‐CNTs) was developed for the determination of tryptophan (Trp). The formation of molecularly imprinted polymer (MIP) involves polymerization in dimethyl sulfoxide (DMSO) using Trp, methacrylic acid (MAA) and ethylene glycol dimethacrylate (EGDMA) as the template molecules, functional monomers, and cross‐linking agents, respectively. Due to the modification of MIPs, the sensor achieves high performance. The sensor demonstrates a linear range from 1 to 45 μM and from 45 to 330 μM, with the limit of detection of 0.44 μM, exceeding that of the majority of sensors reported in the literature. Furthermore, the sensor can effectively detect Trp in real samples, including human serum and amino acid oral liquid. The recovery rate of Trp in human serum samples is 94.2 % to 105.30 %, and in amino acid oral liquid is 94.3 % to 101.68 %. This study provides a promising approach for the effective detection and analysis of tryptophan constituents.

Kinetics and Mechanism Study of Different Types of Surface‐Imprinted Polymers for CO2 Adsorption

ABSTRACTThe increased level of CO2 in the atmosphere has led to global warming and climate change. To mitigate these problems, solid adsorbents have become attractive materials for capturing excess CO2 in the post‐combustion method. Molecularly imprinted polymer (MIP) can be applied to prepare highly selective adsorbents that could capture CO2 molecules. The MIP was prepared using the surface imprinted polymer technique in this preliminary work. Only two types of support materials were used (graphite and silica gel) to screen the best support material that could enhance the CO2 adsorption capacity of the resulting adsorbent, which was analyzed using a fixed‐bed column reactor. Graphite‐imprinted polymer (GMIP) was found to be a good potential for CO2 adsorption. The Avrami model best described the adsorption system, while the fixed‐bed curve data fit the Yoon–Nelson model well. The semi‐empirical method was used to assess the interaction mechanism of the molecularly imprinted polymer with CO2 during adsorption. This investigation involved testing four different ratios of the template complex to functional monomers. The ratio of 1:4 (CO2:Allylthiourea) demonstrated the highest binding energy, with a higher formation of hydrogen bonds. Film diffusion and intraparticle diffusion were the main rate‐limiting steps that played vital roles at different stages of CO2 adsorption. This preliminary work has enhanced the development of MIP for CO2 adsorption and showcased the integration of computational approaches in tailoring specific MIPs.

Greenness assessment of a molecularly imprinted polymeric sensor based on a bio-inspired polymer

Methyldopa, a synthesized dopamine substitute with phenolic, amine, and carboxylic groups, was used to create a selective molecular imprinted polymer (MIP) for detecting formoterol fumarate dihydrate (FFD), a long-acting beta2-agonist for asthma and COPD. The bio-inspired polymer (MD) was electro-grafted onto a pencil graphite electrode (PGE) using cyclic voltammetry in a phosphate buffer (pH 6.5). An indirect method involving a redox probe (ferrocyanide/ferricyanide) and differential pulse voltammetry measured FFD binding to the MIP’s 3D cavities. The sensor showed a linear response range from 1 × 10⁻⁹ M to 2 × 10⁻¹⁰ M, with a detection limit of 1.7 × 10⁻¹¹ M. The polymethyldopa (PMD) and FFD interaction was assessed by UV spectroscopy, and the method was validated per ICH guidelines. Green analytical approaches, including RGB and GAPI, were also implemented. The goal was to use advances in molecularly imprinted polymers to develop a more precise and selective electrochemical sensor for FFD quantification.

Hydrogel-based fluorescence assay kit for simultaneous determination of ceftazidime and avibactam

Monitoring the concentration of antibiotics rapidly and cost-effectively is crucial for accurate clinical medication and timely identification of drug-induced illnesses. Here, we constructed a novel fluorescent assay kit to monitor Zavicefta, an effective antibiotic composed of avibactam (AVI) and ceftazidime (CFZ) to treat carbapenem-resistant gram-negative bacteria infections. AVI can emit fluorescence, but CFZ cannot. To enable simultaneous measurement of both in one kit, we designed molecularly imprinted polymer (MIP) modified quantum dots (QDs) for CFZ determination. MIPs have received significant attention as an artificial antibody due to their exceptional specificity for various targets, particularly drugs with small molecular weight. Under the excitation wavelength of 350 nm, the detection process involves a decrease in QDs’ fluorescence signal at 600 nm owing to the “gate effect” between MIP and CFZ and the internal filtration effect between CFZ and QDs. Simultaneously, a fluorescence emission characteristic peak at 420 nm for AVI emerges. In addition, to simplify the operation procedure and improve determination throughput, the detection agents were incorporated into a hydrogel and placed in a 96-well plate, enabling concurrent quantification of AVI and CFZ within the respective range of 80–1000 μM and 1–1000 μM. The developed assay kit successfully determined AVI and CFZ in human serums and therapeutic drug monitoring in a live rabbit model. Recoveries of AVI and CFZ were 92.7–114%, with relative standard deviations below 6.0%. Moreover, a smartphone was employed to read the fluorescence signals, which was beneficial for cost reduction and out-of-lab analysis. This study will deliver a pragmatic resolution to developing high-throughput assay kits for drug determination.Graphical

Molecularly imprinted polymer for the selective removal of direct violet 51 from wastewater: synthesis, characterization, and environmental applications

Abstract Molecularly imprinted polymers (MIPs) are a diverse class of materials designed for selective molecular recognition. These polymers are synthesized with particular binding sites that are suited to a target molecule or a collection of structurally similar molecules through the use of a process called molecular imprinting. MIPs were synthesized in this work to specifically remove direct violet 51 from occupational leachates and aqueous solutions. Methacrylic acid functioned as the functional monomer, ethylene glycol dimethacrylate (EGDMA) as the cross-linker, 2,2-azobisisobutyronitrile (AIBN) as the initiator, and alcohol as a porogenic solvent. To improve the dye removal effectiveness, a number of factors were optimized, including time, pH, analyte concentrations, and MIP/NIP dosages. The findings showed that MIPs had a much greater capacity for direct violet 51 adsorption than nonimprinted polymers (NIPs), with MIP adsorption capacity reaching 42.553 mg g−1 and NIP adsorption capacity reaching 7 mg g−1. The pseudo 2nd-order model described the adsorption kinetics, and the rate constant (K 2) for MIPs was found to be 0.00251 mg g−1 min. Furthermore, a high rebinding efficiency of 94 % was observed when the selectivity of MIPs for direct violet 51 was assessed against structurally similar templates.

Amplified Sensitivity in SERS Detection of L1CAM With Silver Plasmonic Mesoporous Silica Capsules on an Imprinted Films

AbstractThis study presents a novel approach for dual detection, leveraging a combination of a Raman reporter‐bearing nanomaterial and molecular imprinting polymers (MIP). A core‐shell Au‐Ag nanoparticles (Au‐Ag NPs) encapsulated in mesoporous silica nanocapsules (Au‐Ag NCs) and a new MIP‐based material targeting L1CAM are used. The MIP prepared via surface imprinting on a carbon screen‐printed electrode (C‐SPE) used thionine (TH) as a monomer. The plasmonic Au‐AgNCs are further functionalized with the Raman reporter 4‐mercaptobenzoic acid (MBA) and anti‐L1CAM for selective detection by surface‐enhanced Raman scattering (SERS) spectroscopy. The biosensor's analytical performance is evaluated using both SERS and electrochemical impedance spectroscopy (EIS). EIS analysis reveals a linear response within the concentration range of 0.1 to 100 ng mL−1 in buffer and serum samples. SERS demonstrates a sensitivity ten times higher than EIS. Selectivity study demonstrates the biosensor's excellent specificity toward L1CAM, with minimal interference from other compounds such as creatinine, glucose, and carbohydrate antigen 19‐9 (CA 19‐9). The Raman signal from the reporter molecule correlates with increasing L1CAM concentrations, reinforcing the analytical findings obtained through electrochemical analysis. Thus, the combination of dual detection and recognition capabilities presents promising potential for detecting diverse biomarkers, especially in critical scenarios where reducing false‐positive or false‐negative errors is crucial.

A novel molecularly imprinted electrochemical sensor based on MnO-Fe3O4@C was designed with DFT theoretical study for the detection of thiamphenicol in food

In this study, a new molecularly imprinted electrochemical sensor is presented for thiamphenicol (TAP) based on MnO-Fe3O4@C and a molecularly imprinted polymer (MIP). In the synthesis process of MIP, the density functional theory (DFT) was applied to simulated the interaction between different functional monomers and template molecules, and screen the optimal functional monomers and the ratio of optimal template molecules to functional monomers, which guided the electrochemical in-situ polymerization of MIP. The composite materials were evaluated by X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), energy dispersive spectroscopy (EDS), transmission electron microscopy (TEM) and scanning electron microscopy (SEM), and the electrochemical performance of molecular imprinted electrode was evaluated by cyclic voltammetry (CV), differential pulse voltammetry (DPV) and electrochemical impedance spectroscopy (EIS). Under the optimal conditions, there is a strong linear correlation between the current response and TAP concentration in the 0.01–1 μM (R2=0.9988) and 1–40 μM (R2=0.9954) range. The lowest detection limit (S/N = 3) was 0.007 μM. Besides, the sensor has good reproducibility, stability and anti-interference ability, and has successfully detected analytes in milk and egg samples, which provides application prospects for constructing selective detection of TAP in food samples.

Preparation of a V–COF@SWCNTs-COOH/SPCE supported molecularly imprinted electrochemical sensor for real-time detection of trace sulfadimidine

To overcome the limitations of insufficient sensitivity and poor specificity of portable screen-printed carbon electrode-electrochemical sensors (SPCE-EC) in practical applications, we prepared carrier composites of carboxylic single-walled carbon nanotubes vertically grafted by covalent organic frameworks (v-COF@SWCNTs-COOH) and coated with a molecularly imprinted polymer (MIP) of sulfadimidine (SM2). 55 °C hot steam elution is more eco-friendly than traditional organic solvent elution. The results showed that when the mass ratio of DBA to DBA-SWCNTs was 1:1, the v-COF@SWCNTs-COOH obtained by the two-step synthesis method could increase the electrical signal up to 2.33-fold of the bare electrode. The bifunctional monomer MIP prepared on the above structure enhanced the signal response by 2.91-fold, with a high imprint factor of 20. The assembled MIP/v-COF@SWCNTs-COOH/SPCE were analyzed by differential pulse voltammetry (DPV) with a high sensitivity of 0.21 nM for LOD and 0.70 nM for LOQ. In milk and fish samples, the recovery rate was 95.0 %–104.8 %. The validation of authentic pork samples with the statutory LC-MS/MS method showed no significant difference (P > 0.05). The sensor's performance indicators remained robust after five repeated uses. Therefore, the MIP/v-COF@SWCNTs-COOH/SPCE combines the cheapness and portability of SPCE, while the sensitivity and specificity of small molecule detection were significantly improved.

Detection of piperine content in black pepper using a molecular imprinted poly(N,N-dimethylacrylamide) embedded graphite electrode: A machine learning based prediction approach

The paper presents a molecular imprinted graphite electrode for selective and sensitive detection of piperine (1-Propylpiperidine) in Piper nigrum (black pepper). Poly(N,N-dimethylacrylamide) (PDMAM) was utilized as a functional monomer directing polymerization of uniform molecularly imprinted polymer (MIP) layers on the surface of the graphite layer using ethylene glycol dimethacrylate (EGDMA) as cross-linker with piperine (PIP) as template molecules. The formation of imprinting, non-imprinting, and elution of analytes within the polymer matrix were studied by field emission scanning electron microscope (FESEM), Fourier transform infrared (FTIR), UV–visible (UV–Vis) and X-ray photoelectron spectroscopy (XPS). The electrochemical response of piperine was evaluated through differential pulse voltammetry (DPV) using a PDMAM-MIP@G electrode that showed an oxidation peak at 1.25 ± 0.15 V. Under optimized experimental conditions, DPV peak currents were linear over two concentration ranges (0.001–1 µM and 1–200 µM). A limit of detection (LOD) was found to be 0.0006 µM. Developed electrode yielded high selectivity, sensitivity (12.92 µA/µM (lower linear range) and 0.33 µA/µM (upper linear range)), promising reproducibility, long-term stability (3.85 % decrease in response over 28 days), and interference immunity. The developed PDMAM-MIP@G electrode was applied to real samples using four branded pepper powder procured from local market and the sensor data was recorded. A convolutional neural network (CNN) driven prediction model has been proposed to predict the piperine concentration. Among the four CNN models tested, the best model, averaged over 50 runs, achieved a mean absolute error (MAE) of 0.268, a mean prediction error of 2.35 %, and a R-squared value of 0.93 on the testing set when compared with reference values obtained from reverse-phase high-performance liquid chromatography (RP-HPLC).

Electrochemical molecularly imprinted polymer sensor for simple and fast analysis of tetrodotoxin in seafood

Tetrodotoxin (TTX) is a marine biotoxin whose biosynthesis is associated with the pufferfish. Its distribution is primarily focused in Asian and tropical marine areas. Currently, this group of toxins is classified as emerging in Europe, and its presence could be related to climate change. This incidence has prompted the European Union, with the European Food Safety Authority, to establish control and monitoring mechanisms for TTX in marine products in Europe. In this context, the development of analytical tools capable of ensuring the safety of food products, especially seafood and fish, is a crucial task. This study describes the development of a molecularly imprinted polymer (MIP) based electrochemical sensor for the analysis of TTX. The MIP was synthesized through the electropolymerization of a functional monomer, ortho-phenylenediamine in the presence of a dummy template, voglibose. The MIP sensor was constructed on a screen-printed gold electrode and characterized by cyclic voltammetry. Differential pulse voltammetry, using a redox probe ([Fe(CN)6]3-/4-), was used in the analysis protocol. The developed sensor exhibited a linear response between 5.0 μg mL−1 and 25.0 μg mL−1, with a limit of detection of 1.14 μg mL−1. Its high imprinting efficiency conferred outstanding selectivity towards TTX. The sensor's applicability was confirmed through recovery assays on spiked mussel samples, achieving recoveries of 81.0 %, 110.2 %, and 102.5 % for external standard addition at 30.0, 44.0, and 60.0 μg kg−1, respectively, with relative standard deviations below 15 %. These results are comparable to those obtained using Hydrophilic Interaction Liquid Chromatography coupled with Tandem Mass Spectrometry, a validated method carried out by the European Reference Laboratory for Marine Biotoxins. Thus, the MIP sensor represents a portable, simple, and fast tool with essential analytical functionalities for the sampling phase and pre-selection of laboratory samples for analysis.

Design of a molecularly imprinted polymer sensor modified with saffron-based copper nanoflowers for highly selective and sensitive determination of bortezomib

This work represents the first successful application of a molecularly imprinted polymer (MIP)-based electrochemical sensor for the sensitive and selective determination of the first developed proteasome inhibitor, bortezomib (BOR). BOR is used for the treatment of multiple myeloma, gastrointestinal stromal tumors, and mantle cell lymphoma. It shows its desired effect through the boronate group and can be administered intravenously or subcutaneously. The MIP-based electrochemical sensor design includes the integration of green-synthesized saffron-based copper nanoflowers (CuNFs) from Crocus sativus L. to increase the active surface area and porosity of the glassy carbon electrode (GCE) surface. 2-Acrylamido-2-methyl-1-propanesulfonic acid (AMPS) was selected as the functional monomer along with other MIP components. Detailed characterizations of the developed CuNFs/AMPS/MIP-GCE sensor and CuNFs were performed using scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), energy dispersive X-ray analysis (EDX), cyclic voltammetry (CV), and electrochemical impedance spectroscopy (EIS). The indirect measurement approach using 5.0 mM [Fe(CN)6]3–/4– solution was used to determine BOR in the linear range of 2.5 × 10−13 M − 2.5 × 10−12 M (0.25–2.5 pM). The LOD and LOQ values of the sensor obtained at the fM level (29 fM and 96.7 fM), which has a linear response in the commercial human serum sample in the same concentration range, emphasize its sensitivity (1.89 × 1013 and 2.14 × 1013 μA/M for standard solution and serum). The repeatability and reproducibility of the sensor were between 0.87 % and 2.17 %, showing its reliability. The successful performance of the sensor in the presence of metabolites belonging to BOR demonstrates its unique selectivity. The selectivity was demonstrated via relative imprinting factor (IF') values (higher than 3.5) against BOR's metabolites. The stability of the CuNFs/AMPS/MIP-GCE sensor was found to be 5 days.

Enhanced selective detection of Sudan III dye in cosmetics utilizing nitrogen-doped carbon quantum dots (NCQDs) combined with Molecularly Imprinted Polymer (MIP)

Sudan III, a commonly used dye in cosmetics, poses health risks due to its potential carcinogenicity and allergenic properties, necessitating rigorous monitoring of its illegal presence in consumer goods. In this study, a novel fluorometric assay employing Nitrogen-doped Carbon Quantum Dots coated with Molecularly Imprinted Polymers (NCQDs/SiO2@MIP) is presented to accurately and sensitively detect Sudan III. Unlike other majority analytes, Sudan III shows fluorescence enhancement upon binding with our NCQDs-MIPs. Under optimal conditions—pH 7.0, histidine buffer, 15 min incubation, and 500 mg/L NCQDs/SiO2@MIP—the method achieves a low 1.4 nM (0.49 ppb) detection limit and a broad linear range (5–800 nM). With precision (RSD < 5 %) and selectivity surpassing Sudan dyes and common cosmetic ingredients, the method’s reliability is evident. Cross-validation against LC-MS/MS confirms the accuracy of Sudan III quantification in real cosmetic samples. This NCQDs/SiO2@MIP fluorometric sensor holds promise for rapid on-site detection of Sudan III and other contaminants in cosmetics, offering superior sensitivity, selectivity, and minimal sample preparation requirements.

A novel Co/Zn-ferrite molecularly imprinted polymer-based electrochemical assay for sensing of gallic acid in plant extracts, wine, and herbal supplement.

In this study, a new molecularly imprinted polymer (MIP)-based sensor platform was developed for the electrochemical determination of gallic acid (GAL) in plant extracts, wine, and herbal supplements. Gallic acid is known for its natural antioxidant properties, which play an important role in preventing cell deterioration that can lead to various diseases. In addition, gallic acid has therapeutic potential due to its anticancer, antiinflammatory, antimicrobial, and neuroprotective properties. Accurate analysis of gallic acid in complex matrices, in mixed samples where different components coexist, is necessary to evaluate the efficacy and safety of this compound. Cobalt ferrite-zinc-dihydro caffeic acid (CFO_Zn_DHCA) nanoparticles, sphere-like in shape and 5 ± 1nm in size, were incorporated into the MIP-based electrochemical sensor design to enhance the active surface area and porosity of the glassy carbon electrode (GCE) surface. The functional monomer chosen for this study was aminophenyl boronic acid (3-APBA). In the GAL/CFO_Zn_DHCA/3-APBA@MIP-GCE sensor, which was developed using photopolymerization (PP), 3-APBA as a functional monomer was designed, and obtained in the presence of basic monomer (HEMA), cross-linker (EGDMA), and initiator (2-hydroxy-2-methyl propiophenone) by keeping it under a UV lamp at 365nm. It aims to detect GAL in real samples such as Punica granatum (pomegranate) peel, Camellia sinensis (green and black tea leaves), wine, and herbal supplements. Morphological and electrochemical characterizations of the designed GAL/CFO_Zn_DHCA/3-APBA@MIP-GCE sensor were carried out using scanning electron microscopy (SEM), cyclic voltammetry (CV), and electrochemical impedance spectroscopy (EIS). The linear range for the determination of GAL using the indirect method (5.0mM [Fe(CN)6]-3/-4) was found to be 1.0 × 10-13M-1.0 × 10-12M, and the limit of detection (LOD) and limit of quantification (LOQ) for standard solutions werecalculated as 1.29 × 10-14 and 4.29 × 10-14M, respectively. As a result of the study, the developed MIP-based electrochemical sensor was suitable for detecting GAL with high specificity, selectivity, and sensitivity. Recovery studies were performed to determine the practical applicability of the sensor, and the results were satisfactory. This innovative sensor platform stands out as a reliable and sensitive analytical tool for determining GAL.

Rational design based on multi-monomer simultaneous docking for epitope imprinting of SARS-CoV-2 spike protein

Among biomimetic strategies shaping engineering designs, molecularly imprinted polymer (MIP) technology stands out, involving chemically synthesised receptors emulating natural antigen-antibody interactions. These versatile ‘designer polymers’ with remarkable stability and low cost, are pivotal for in vitro diagnostics. Amid the recent global health crisis, we probed MIPs’ potential to capture SARS-CoV-2 virions. Large biotemplates complicate MIP design, influencing generated binding site specificity. To precisely structure recognition sites within polymers, we innovated an epitope imprinting method supplemented by in silico polymerization component screening. A viral surface Spike protein informed epitope selection was targeted for MIP development. A novel multi-monomer docking approach (MMSD) was employed to simulate classical receptor-ligand interactions, mimicking binding reinforcement across multiple amino acids. Around 40 monomer combinations were docked to the epitope sequence and top performers experimentally validated via rapid fluorescence binding assays. Notably, high imprinting factor polymers correlated with MMSD predictions, promising rational MIP design applicable to diverse viral pathologies.

Pharmacokinetics of pulmonary indacaterol in rat lung using molecular imprinting solid-phase extraction coupled with RP-UPLC

Indacaterol, a β2 agonist prescribed for long-term management of patients with chronic obstructive pulmonary disease and asthma. In this study the first MISPE cartridges was developed using indacaterol as a template for its selective extraction from rat lung tissues, enabling precise pharmacokinetic evaluation at the drug’s site of action. A molecular imprinting polymer was synthesized using indacaterol as a template, methacrylic acid as a functional monomer and ethylene glycol dimethacrylate as a cross-linker with a molar ratio (1: 4: 20). The polymer was characterized by a high binding capacity of 9840 ± 0.86 and high selectivity with an imprinting factor of 4.53 ± 0.12. The synthesized polymer was utilized as a sorbent in solid-phase extraction to purify and extract indacaterol from lung tissue matrix. The optimum molecularly imprinted solid-phase extraction (MISPE) conditions were 20.0 mg of molecular imprinting polymer and non-imprinting polymer, acetonitrile as the loading solvent, acetonitrile: water (20: 80; by volume) as the washing solvent, and methanol: acetic acid (90: 10; by volume) as the eluting solvent. A pharmacokinetic study was performed for indacaterol in rat lungs using the synthesized and optimized MISPE cartridge as a tool for sample purification. These parameters were determined in the lung tissues of rats emphasizing the local exposure of indacaterol to its target organ. The Cmax and Tmax were 51.020 ± 2.810 µg mL− 1 and 0.083 ± 0.001 h, respectively. The AUC 0−24 and AUC0 − inf were 175.920 ± 1.053 and 542.000 ± 5.245 µg h mL− 1, respectively. The elimination rate constant was 0.014 ± 0.00012 h− 1 and the half-life time was 48.510 ± 0.012 h. This study successfully developed and optimized MISPE cartridges using indacaterol as a template, enabling precise pharmacokinetic evaluation in rat lung tissues. The cartridges demonstrated high binding capacity and selectivity, providing crucial insights into the local exposure of indacaterol at its site of action.

An impedimetric determination of zearalenone on MIP-modified carboceramic electrode

Zearalenone (ZEN) is a mycotoxin that poses significant risks to human and animal health due to its mutagenic, immunosuppressive, and carcinogenic properties. This study presents a novel analytical method for detecting ZEN using electrochemical impedance spectroscopy (EIS) combined with a molecularly imprinted polymer (MIP). ZEN, used as the template molecule, was incorporated into polypyrrole on screen-printed electrodes (SPE), and a ZEN-sensitive MIP sensor was created through template removal. The modified sensor surfaces were characterized by EIS and scanning electron microscopy (SEM). An impedimetric MIP sensor for ZEN was developed, offering a detection range from 1 pM to 500 pM. The method's limit of detection (LOD) was established at 1 pM (0.3 pg/mL) with a signal-to-noise ratio of 3 (S/N = 3). The method demonstrated high precision and accuracy, with a maximum relative standard deviation (RSD) of less than 4.4% at a 95% confidence level, and relative error (RE) values ranging from −0.8% to −2.7%. The selectivity of the developed MIP sensor was evaluated using ochratoxin A, ochratoxin B, and aflatoxin B1, with no significant interference observed. ZEN recovery from spiked samples was between 95% and 105%, indicating that the method was successfully applied to grain samples, including corn, rice, and wheat.

Design and controlled synthesis of molecularly imprinted fluorescence sensor supported by multifunctional magnetic covalent organic framework: Efficient detection of clofibric acid in the environment

While some studies have explored magnetic covalent organic frameworks (MCOFs) for fluorescence sensing, substantial research gaps remain, especially in integrating molecular imprinting technology (MIT). In this study, superparamagnetic Fe3O4 cores were modified, and a monomer-mediated in situ growth strategy was used to synthesize uniform, multifunctional MCOFs nanoparticles. Subsequently, molecularly imprinted polymers (MIPs) were synthesized via a sol-gel method and deposited on MCOFs, forming MCOFs-supported molecularly imprinted fluorescent sensors (MCOFs@MIPs) for trace analysis of clofibric acid (CLF). This was the first application of molecularly imprinted fluorescence sensing technology for detecting CLF. MCOFs@MIPs combined the superparamagnetism of Fe3O4, the stability and signal amplification of COFs, and the selectivity of MIPs for CLF. Studies demonstrated that MCOFs@MIPs had a maximum fluorescence response in isopropanol, with an optimal dosage of 0.39 mg/mL, an imprinting factor (IF) of 2.73, a detection limit of 94 nM, and a range of 0 ∼ 300 µM. Characterizations revealed that the fluorescence quenching of MCOFs@MIPs was based on a photoinduced electron transfer (PET) mechanism, with MCOFs@MIPs as donors and CLF as acceptors. MCOFs@MIPs were used to detect CLF in actual samples from food, water, agricultural products, cosmetics, and human metabolites. The detection results were consistent with those from high-performance liquid chromatography (HPLC). Additionally, the recoveries of MCOFs@MIPs for actual samples ranged from 94.4 % to 100.7 %, demonstrating exceptional reliability, reusability, and accuracy.