In silico screening of molecular imprinting prepolymerization systems: oseltamivir selective polymers through full-system molecular dynamics-based studies

2016 ◽  
Vol 14 (18) ◽  
pp. 4210-4219 ◽  
Author(s):  
Siamak Shoravi ◽  
Gustaf D. Olsson ◽  
Björn C. G. Karlsson ◽  
Fredrik Bexborn ◽  
Younes Abghoui ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Imprinting ◽  
Molecularly Imprinted Polymer ◽  
In Silico ◽  
Imprinted Polymer ◽  
In Silico Screening ◽  
Full System ◽  
Molecularly Imprinted

All-component molecular dynamics studies were used to probe a library of oseltamivir molecularly imprinted polymer prepolymerization mixtures

Precisely controlled molecular imprinting of glutathione-s-transferase by orientated template immobilization using specific interaction with an anchored ligand on a gold substrate

2014 ◽  
Vol 5 (16) ◽  
pp. 4764-4771 ◽  
Author(s):  
Yuri Kamon ◽  
Ryo Matsuura ◽  
Yukiya Kitayama ◽  
Tooru Ooya ◽  
Toshifumi Takeuchi
Keyword(s):  
Thin Films ◽  
Molecular Imprinting ◽  
Molecularly Imprinted Polymer ◽  
Specific Interaction ◽  
Specific Interactions ◽  
Synthetic Route ◽  
Gold Substrate ◽  
Imprinted Polymer ◽  
Glutathione S Transferase ◽  
Molecularly Imprinted

We demonstrate a novel synthetic route for molecularly imprinted polymer (MIP) thin films using a bottom-up approach utilizing protein–ligand specific interactions.

Application of Response Surface Methodology to Synthesize Appropriate Molecularly Imprinted Polymer for Diazinon

2014 ◽  
Vol 605 ◽  
pp. 67-70 ◽  
Author(s):  
Mohsen Rahiminezhad ◽  
Seyed Jamaleddin Shahtaheri ◽  
Mohammad Reza Ganjali ◽  
Abbas Rahimi Rahimi Forushani
Keyword(s):  
Molecular Imprinting ◽  
Molecularly Imprinted Polymer ◽  
Binding Sites ◽  
Capillary Electrochromatography ◽  
Template Molecule ◽  
Imprinted Polymer ◽  
Molecularly Imprinted ◽  
Functional Monomers ◽  
Molecular Imprinting Technology ◽  
Cross Linker

Molecular imprinting technology has become an interesting research area to the preparation of specific sorbent material for environmental and occupational sample preparation techniques (1). In the molecular imprinting technology, specific binding sites have been formed in polymeric matrix, which often have an affinity and selectivity similar to antibody-antigen systems (2). In molecular imprinted technology, functional monomers are arranged in a complementary configuration around a template molecule, then, cross-linker and solvent are also added and the mixture is treated to give a porous material containing nono-sized binding sites. After extraction of the template molecule by washing, vacant imprinted sites will be left in polymer, which are available for rebinding of the template or its structural analogue (3). The stability, convention of preparation and low cost of these materials make them particularly attractive (4). These synthetic materials have been used for capillary electrochromatography (5), chromatography columns (6), sensors (7), and catalyze system (8). Depending on the molecular imprinting approach, different experimental variables such as the type and amounts of functional monomers, porogenic solvent, initiator, monomer to cross-linker ratio, temperature, and etc may alter the properties of the final polymeric materials. In this work, chemometric approach based on Central Composite Design (CCD) was used to design the experiments as well as to find the optimum conditions for preparing appropriate diazinon molecularly imprinted polymer.

scholarly journals Molecularly Imprinted Polymer Based Sensors for Medical Applications

Sensors ◽  
2019 ◽  
Vol 19 (6) ◽  
pp. 1279 ◽  
Author(s):  
Yeşeren Saylan ◽  
Semra Akgönüllü ◽  
Handan Yavuz ◽  
Serhat Ünal ◽  
Adil Denizli
Keyword(s):  
Surface Modification ◽  
Homeland Security ◽  
Molecular Imprinting ◽  
Molecularly Imprinted Polymer ◽  
Structural Changes ◽  
Low Cost ◽  
Dimensional Structure ◽  
Imprinted Polymer ◽  
Molecularly Imprinted ◽  
Physical And Chemical

Sensors have been extensively used owing to multiple advantages, including exceptional sensing performance, user-friendly operation, fast response, high sensitivity and specificity, portability, and real-time analysis. In recent years, efforts in sensor realm have expanded promptly, and it has already presented a broad range of applications in the fields of medical, pharmaceutical and environmental applications, food safety, and homeland security. In particular, molecularly imprinted polymer based sensors have created a fascinating horizon for surface modification techniques by forming specific recognition cavities for template molecules in the polymeric matrix. This method ensures a broad range of versatility to imprint a variety of biomolecules with different size, three dimensional structure, physical and chemical features. In contrast to complex and time-consuming laboratory surface modification methods, molecular imprinting offers a rapid, sensitive, inexpensive, easy-to-use, and highly selective approaches for sensing, and especially for the applications of diagnosis, screening, and theranostics. Due to its physical and chemical robustness, high stability, low-cost, and reusability features, molecularly imprinted polymer based sensors have become very attractive modalities for such applications with a sensitivity of minute structural changes in the structure of biomolecules. This review aims at discussing the principle of molecular imprinting method, the integration of molecularly imprinted polymers with sensing tools, the recent advances and strategies in molecular imprinting methodologies, their applications in medical, and future outlook on this concept.

Stoichiometric molecular imprinting using polymerisable urea and squaramide receptors for the solid phase extraction of organo-arsenic compound roxarsone

2020 ◽  
Vol 12 (47) ◽  
pp. 5729-5736
Author(s):  
Simone Cavalera ◽  
Fabio Di Nardo ◽  
Giulia Spano ◽  
Laura Anfossi ◽  
Panagiotis Manesiotis ◽  
...  
Keyword(s):  
Solid Phase Extraction ◽  
Molecular Imprinting ◽  
Surface Waters ◽  
Molecularly Imprinted Polymer ◽  
Solid Phase ◽  
Phase Extraction ◽  
Functional Monomer ◽  
Arsenic Compound ◽  
Imprinted Polymer ◽  
Molecularly Imprinted

A selective molecularly imprinted polymer prepared with a squaramide-based functional monomer was used for the solid phase extraction of roxarsone from surface waters.

scholarly journals Rapid and selective recognition of Vibrio parahaemolyticus assisted by perfluorinated alkoxysilane modified molecularly imprinted polymer film

RSC Advances ◽  
2020 ◽  
Vol 10 (24) ◽  
pp. 14305-14312 ◽  
Author(s):  
Kaiyue Fu ◽  
Huiwen Zhang ◽  
Yuanyuan Guo ◽  
Juan Li ◽  
Heran Nie ◽  
...  
Keyword(s):  
Polymer Film ◽  
Molecular Imprinting ◽  
Molecularly Imprinted Polymer ◽  
Vibrio Parahaemolyticus ◽  
Selective Recognition ◽  
Imprinted Polymer ◽  
Molecularly Imprinted ◽  
High Affinity ◽  
Molecular Imprinting Technology

Molecular imprinting technology offers a means of tailor-made materials with high affinity and selectivity for certain analysts.

scholarly journals Sol-gel Approach in Molecular Imprinting for Crystal Violet Selective Recognition

2021 ◽  
Vol 50 (7) ◽  
pp. 1921-1933
Author(s):  
Saliza Asman ◽  
Sharifah Mohamad ◽  
Mohd Kamarulzaki Mustafa
Keyword(s):  
Crystal Violet ◽  
Molecular Imprinting ◽  
Molecularly Imprinted Polymer ◽  
Sol Gel ◽  
Group Analysis ◽  
Freundlich Isotherm ◽  
Selective Recognition ◽  
Isotherm Model ◽  
Imprinted Polymer ◽  
Molecularly Imprinted

A limitation of conventional MIP in thermal and mechanical stabilities condition, improper porosity and low adsorption capacity, give a reason to introduce a sol-gel method in molecular imprinting process recently. In this study, a synthesis of new sol-gel molecularly imprinted polymer (SG-MIP) was studied for crystal violet (CV) selective recognition. The control non-molecularly imprinted polymer (SG-NIP) was also synthesized as reference. The preparation of SG-MIP was introduced by a combination of the organic and inorganic mixture. The organic solution included the methacrylic acid, trimethylolpropane trimethacrylate, and benzoyl peroxide which are monomer, crosslinker, and initiator, respectively. The inorganic solution involved the ratio of tetraethyl orthosilicate: ethanol (1:1 v/v). The functional group analysis proved the successful synthesized SG-MIP and SG-NIP. The thermal analysis indicated high thermal stability for SG-MIP and SG-NIP, respectively. The morphology and surface analyses showed the respective different structures, surface, and porosity values between SG-MIP and SG-NIP, which influence the selectivity study and adsorption behaviour of SG-MIP toward CV adsorption. The result verified that the SG-MIP (4.900 mgg-1) has higher adsorption and higher selectivity characteristics compared to SG-NIP (4.432 mgg-1). The equilibrium data of kinetic and isotherm studies for SG-MIP and SG-NIP were well-fitted to the pseudo-second order model (R2 = 0.9997 and R2 = 0.9996) and Freundlich isotherm model (R2 = 0.9500 and R2 = 0.9764), respectively. The Freundlich isotherm was supported by the Scatchard plot instead of the Langmuir isotherm model.

scholarly journals In Silico Characterization of Binding Properties on a Molecularly Imprinted Polymer

2021 ◽  
Vol 70 (3) ◽  
pp. 111-124
Author(s):  
Takashi IKEGAMI ◽  
Ryoichi KATAOKA ◽  
Hirobumi SUNAYAMA ◽  
Toshifumi TAKEUCHI
Keyword(s):  
Molecularly Imprinted Polymer ◽  
In Silico ◽  
Imprinted Polymer ◽  
Binding Properties ◽  
Molecularly Imprinted ◽  
In Silico Characterization

scholarly journals Selective Enrichment of Clenbuterol onto Molecularly Imprinted Polymer Microspheres with Tailor-made Structure and Oxygen Functionalities

Polymers ◽  
2019 ◽  
Vol 11 (10) ◽  
pp. 1635 ◽  
Author(s):  
Xiangyun Zhao ◽  
Yuliang Mai ◽  
Dongchu Chen ◽  
Min Zhang ◽  
Huawen Hu
Keyword(s):  
Molecular Imprinting ◽  
Molecularly Imprinted Polymer ◽  
Photoelectron Spectroscopy ◽  
Solid Phase ◽  
Feed Additive ◽  
Extraction Column ◽  
Polymer Microspheres ◽  
Imprinted Polymer ◽  
Molecularly Imprinted ◽  
Selective Enrichment

The noxious clenbuterol misapplied as the feed additive has posed an enormous threat to humans who actively rely on the food chains with high potential of contamination by clenbuterol, such as pork and beef. It is, therefore, highly desirable to develop novel materials and strategies for dealing with the clenbuterol. Herein, functional polymer microspheres prepared by Pickering emulsion polymerization were explored for the selective enrichment of the clenbuterol, and their structure and oxygen functionalities could be tailor-made by a molecular imprinting process. The clenbuterol imprinting was adequately demonstrated to not only increase the particle size (~52 nm vs. ~42 nm) and create cavities for the accommodation of the clenbuterol molecules, but also reduce the oxygen functionalities of the resulting molecularly imprinted polymer microspheres (MIPMs) by approximately 4 at.%, which is believed to correlate with the high specificity of the MIPMs. Various characterization methods were employed to evidence these findings, including scanning electron microscopy, BET measurements, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, and elemental mapping examination. More importantly, the MIPMs showed a markedly superior enrichment capability towards clenbuterol to the counterpart, that is, non-molecularly imprinted polymer microspheres (NIPMs). Compared to the NIPMs without specificity for clenbuterol, the MIPMs exhibited an impressive selectivity to clenbuterol, with the relative selectivity coefficient (k′) values largely exceeding 1, thus corroborating that the useful molecular imprinting led to the generation of the binding sites complementary to the clenbuterol molecule in the size and functionalities. The MIPMs were also employed as the stationary phase to fabricate molecularly imprinting solid-phase extraction column, and the spike recovery was demonstrated to be not significantly decreased even after nine cycles. Furthermore, the reliability of the method was also evidenced through the comparison of the MIPMs prepared from different batches.

scholarly journals Template Assisted Synthesis of Molecularly Imprinted Polymer for the Extraction of p-Coumaric Acid

2020 ◽  
Vol 32 (9) ◽  
pp. 2342-2346
Author(s):  
SHOWKAT AHMAD BHAWANI ◽  
NURSUHAILAH BINTI SUHAILI ◽  
RACHEL MARCELLA ROLAND ◽  
SALMA BAKHTIAR ◽  
KHALID M. ALOTAIBI ◽  
...  
Keyword(s):  
Acrylic Acid ◽  
Molecular Imprinting ◽  
Molecularly Imprinted Polymer ◽  
Spherical Shape ◽  
Coumaric Acid ◽  
Imprinted Polymer ◽  
Molecularly Imprinted ◽  
Adsorption Study ◽  
Cross Linker ◽  
Template Assisted Synthesis

In present study, the molecular imprinting polymer (MIP) of p-coumaric acid was synthesized by using p-coumaric acid as a template, acetonitrile as solvent, 1,4-butanediol dimethacrylate as cross-linker, acrylic acid as monomer and 2,2-azobisisobutironitrile (AIBN) as the initiator. The synthesized polymers were characterized by FTIR and SEM. The results from SEM revealed that the polymer was in spherical shape with size in micro-range. The binding efficiency of polymers was analyzed by adsorption study. The highest rebinding efficiency for MIP was ~ 80% while for non-imprinted polymer (NIP) it was only 24%.

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