Origin of macromolecular crowding: Analysis of recognition mechanism of dual-template molecularly imprinted polymers by in silico prediction

2021 ◽  
pp. 462695
Author(s):  
Wen-Jing Chen ◽  
Ping-Ping Shang ◽  
Sen-Biao Fang ◽  
Yan-Ping Huang ◽  
Zhao-Sheng Liu
Keyword(s):  
Molecularly Imprinted Polymers ◽  
In Silico ◽  
Macromolecular Crowding ◽  
In Silico Prediction ◽  
Recognition Mechanism ◽  
Molecularly Imprinted ◽  
Imprinted Polymers

scholarly journals Preparation of Chitosan Molecularly Imprinted Polymers and the Recognition Mechanism for Adsorption of Alpha-Lipoic Acid

Molecules ◽  
2020 ◽  
Vol 25 (2) ◽  
pp. 312 ◽  
Author(s):  
Long Xu ◽  
Ze-Xin Zhao ◽  
Yun-An Huang ◽  
Qiu-Jin Zhu
Keyword(s):  
Lipoic Acid ◽  
Molecularly Imprinted Polymers ◽  
Selective Adsorption ◽  
Dynamics Simulation ◽  
Chitosan Oligosaccharide ◽  
Alpha Lipoic Acid ◽  
Recognition Mechanism ◽  
Molecularly Imprinted ◽  
Imprinted Polymers ◽  
Kinetics And Isotherms

Two effective molecularly imprinted polymers for the adsorption of alpha-lipoic acid (ALA) were synthesized by the cross-linking of chitosan with epichlorohydrin (ECH) and glutaraldehyde (GLU), respectively, in the presence of ALA as template molecules. Investigations on the molar ratios of ALA and chitosan (–NH2) in the preparation of chitosan molecularly imprinted polymers (MIPs) were carried out with a factor of ALA rebinding capabilities. The surface morphology and chemical properties of the polymers were characterized. The optimized MIPs crosslinked by ECH (MIPs–ECH) and MIPs crosslinked by GLU (MIPs–GLU) had adsorption capabilities of 12.09 mg/g and 19.72 mg/g for ALA, respectively. The adsorption behaviors of two kinds of chitosan MIPs including adsorption kinetics and isotherms were investigated in detail. Adsorption and kinetic binding experiments showed that the prepared MIPs–ECH and MIPs–GLU had selective adsorption and excellent affinity for ALA. In addition, the possible binding models between ALA and chitosan oligosaccharide were predicted by molecular dynamics simulation.

Molecularly imprinted polymers prepared using a porogenic solvent of an ionic liquid and a macromolecular crowding agent and their application in purification of oleanic acid

2015 ◽  
Vol 7 (24) ◽  
pp. 10256-10265 ◽  
Author(s):  
Chen Zhang ◽  
Fang Li ◽  
Si-Xi Wang ◽  
Zhao-Sheng Liu ◽  
Haji Akber Aisa
Keyword(s):  
Ionic Liquid ◽  
Ionic Liquids ◽  
Molecularly Imprinted Polymers ◽  
Macromolecular Crowding ◽  
Cooperative Effect ◽  
Molecularly Imprinted ◽  
Imprinted Polymers

A strategy to increase the affinity of molecularly imprinted polymers (MIPs) using a novel porogenic solvent was described based on the cooperative effect of ionic liquids and macromolecular crowding agents.

scholarly journals Molecularly Imprinted Polymers for Selective Extraction of Oblongifolin C from Garcinia yunnanensis Hu

2017 ◽  
Author(s):  
Wang Liping ◽  
Fu Wenwei ◽  
Shen Yunhui ◽  
Tan Hongsheng ◽  
Xu Hongxi
Keyword(s):  
Molecularly Imprinted Polymers ◽  
Density Functional ◽  
Solid Phase ◽  
Water Solution ◽  
Gradient Elution ◽  
Selective Extraction ◽  
Molar Ratio ◽  
Recognition Mechanism ◽  
Molecularly Imprinted ◽  
Imprinted Polymers

Molecularly imprinted polymers (MIPs) were synthesized and applied for the selective extraction of oblongifolin C (OC) from fruit extracts of Garcinia yunnanensis Hu. A series of experiments and computational approaches were employed to improve the efficiency of screening for optimal MIP systems in the study. The molar ratio (1:4) was chosen at last based on the comparison of the binding energy of the complexes between the template (OC) and functional monomers using density functional theory (DFT) at the RI-PBE-D3-gCP/def2-TZVP level of theory. The binding characterization and the molecular recognition mechanism of MIPs were further explained using the molecular modeling method and NMR and IR spectra data. The reusability of this approach was demonstrated in over 20 batch rebinding experiments. 140.5 mg of OC (>95% purity) was obtained from the 5 g extracts with 2 g of MIPs with the best binding properties through gradient elution program from 35% to 70% methanol-water solution. At the same time, another structural analog, 46.5 mg of guttiferone K (GK) (>88% purity), was also obtained by the gradient elution procedure. Our results showed that the structural analogs could be separated from the crude extracts by the molecularly imprinted solid-phase extraction (MISPE) using a gradient elution procedure for the first time.

Study on Unbalanced Competitive Adsorption of Two Ginsenosides by Molecularly Imprinted Polymers

2019 ◽  
Vol 821 ◽  
pp. 144-152
Author(s):  
Wei Zhang ◽  
Yun Jie Ma ◽  
Qian Li ◽  
Shao Yan Wang
Keyword(s):  
Molecularly Imprinted Polymers ◽  
Competitive Adsorption ◽  
High Specific Surface Area ◽  
Poly Vinyl Alcohol ◽  
Template Molecule ◽  
Recognition Mechanism ◽  
Ginsenoside Re ◽  
Molecularly Imprinted ◽  
Functional Monomers ◽  
Imprinted Polymers

In this study, a kind of homogeneous spherical molecularly imprinted polymers (MIPs) with high specific surface area was prepared, with ginsenoside Re (Re) as template molecule, methacrylic acid (MAA) as functional monomers, ethylglycol dimethacrylate (EGDMA) as crosslinker and poly (vinyl alcohol)-1788 (PVA-1788) as dispersant. The MIPs was characterized by field emission scanning electron microscopy (FESEM) and surface porosity detector, and competitive adsorption behavior of the MIPs was evaluated under different two-component adsorption conditions. The experimental results showed that MIPs had the regular mesopores structure, equilibrium adsorption isotherms of MIPs were in good agreement with Freundlich model under different adsorption conditions (single solute adsorption (SSA), simultaneously competitive adsorption (SCA) and preloaded competitive adsorption (PCA)). The concentration of template (Re) and competitors (Rg1) affect the results of competitive adsorption. Re has obvious priority in competitive adsorption, and this unbalanced competitive adsorption was the results of spatial selectivity and strong inter-molecule forces of MIPs toward Re. The analysis of competitive adsorption of molecularly imprinted materials is helpful to further study the recognition mechanism of molecularly imprinted adsorbent.

Recognition mechanism of molecularly imprinted polymers by aggregation-induced emission

2020 ◽  
Vol 8 (39) ◽  
pp. 13574-13581
Author(s):  
Yuwei Wu ◽  
Jiang Liu ◽  
Wenbin Huang ◽  
Zikai He ◽  
Jia Zhou ◽  
...  
Keyword(s):  
Solid State ◽  
Functional Groups ◽  
Sorption Capacity ◽  
Molecularly Imprinted Polymers ◽  
Molecular Size ◽  
Recognition Mechanism ◽  
Molecularly Imprinted ◽  
Imprinted Polymers ◽  
Aggregation Induced Emission ◽  
Solid State Fluorescence

AIEgens were adopted as templates to separately investigate the effects of functional groups and molecular size on the imprinting process and sorption capacity. The possibility of using solid-state fluorescence for quantification was proved.

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