Removal of the environmental pollutant carbamazepine using molecular imprinted adsorbents: Molecular simulation, adsorption properties, and mechanisms

He, Qiang; Liang, Jianjun; Chen, Li-Xi; Chen, Shuli; Zheng, Huaili; Liu, Hongxia; Zhang, Huijie

doi:10.1016/j.watres.2019.115164

Cited by 99 publications

(35 citation statements)

References 34 publications

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“…As Van der Waals forces increase with molecular weight, the adsorption between 1N-pyr and activated carbon was stronger than that of pyr. At the same time, the N and O in the nitro group of 1N-pyr might also form hydrogen bonds with the suspended hydrogen atoms on activated carbon as this commercial material was activated by acid [30]. Based on the results, the remediation by activated carbon showed a fast rate, which removed around 80% of the pollutant within four and seven hours for 1N-pyr and pyr, respectively, indicating the physical remediation is an efficient method.…”

Section: Physical Remediation By Activated Carbonmentioning

confidence: 96%

Remediation of 1-Nitropyrene in Soil: A Comparative Study with Pyrene

Huang

Min-hui

et al. 2020

IJERPH

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Nitrated polycyclic aromatic hydrocarbons (nPAHs) are ubiquitous environmental pollutants, which exhibits higher toxicity than their corresponding parent PAHs (pPAHs). Recent studies demonstrated that the nPAHs could represent major soil pollution, however the remediation of nPAHs has been rarely reported. In this study, biological, physical, and chemical methods have been applied to remove 1-nitropyrene, the model nPAH, in contaminated soil. A comparative study with pyrene has also been investigated and evaluated. The results suggest that the physical method with activated carbon is an efficient and economical approach, removing 88.1% and 78.0% of 1-nitropyrene and pyrene respectively, within one day. The zero-valent ion has a similar removal performance on 1-nitropyrene (83.1%), converting 1-nitropyrene to 1-aminopyrene in soil via chemical reduction and decreasing the mutagenicity and carcinogenicity of 1-nitropyrene. Biological remediation that employs scallion as a plant model can reduce 55.0% of 1-nitropyrene in soil (from 39.6 to 17.8 μg/kg), while 77.9% of pyrene can be removed by plant. This indicates that nPAHs might be more persistent than corresponding pPAHs in soil. It is anticipated that this study could draw public awareness of nitro-derivatives of pPAHs and provide remediation technologies of carcinogenic nPAHs in soil.

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Section: Physical Remediation By Activated Carbonmentioning

confidence: 96%

Remediation of 1-Nitropyrene in Soil: A Comparative Study with Pyrene

Huang

Min-hui

et al. 2020

IJERPH

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“…Because both acrylamide and methacrylic acid can form two different hydrogen bond interactions with the template molecule, they were considered to be the most suitable functional monomers for preparing urethane imprinted polymers. In recent years, the simulated annealing algorithm has been independently used to attain a stable conformation of the template and the monomer complex [ 43 , 44 , 46 ]. During the annealing process, the temperature of the local environment is always in a dynamic process, ensuring that the templates and the monomers located at different positions and directions are bonded, thereby expanding the available conformations.…”

Section: Computational Simulation and Design Of New Mipsmentioning

confidence: 99%

A Review on Molecularly Imprinted Polymers Preparation by Computational Simulation-Aided Methods

Liu

Wang

et al. 2021

Polymers

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Molecularly imprinted polymers (MIPs) are obtained by initiating the polymerization of functional monomers surrounding a template molecule in the presence of crosslinkers and porogens. The best adsorption performance can be achieved by optimizing the polymerization conditions, but this process is time consuming and labor-intensive. Theoretical calculation based on calculation simulations and intermolecular forces is an effective method to solve this problem because it is convenient, versatile, environmentally friendly, and inexpensive. In this article, computational simulation modeling methods are introduced, and the theoretical optimization methods of various molecular simulation calculation software for preparing molecularly imprinted polymers are proposed. The progress in research on and application of molecularly imprinted polymers prepared by computational simulations and computational software in the past two decades are reviewed. Computer molecular simulation methods, including molecular mechanics, molecular dynamics and quantum mechanics, are universally applicable for the MIP-based materials. Furthermore, the new role of computational simulation in the future development of molecular imprinting technology is explored.

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“…MIM ensures cost-effective and easyhandling for the selective removal of certain water pollutants. Owing to these pressure holes, the target pollutant molecules are adsorbed very easily since they are defined according to the structure of the template molecule (5). Recently, the imprinting method has been of great interest in the development of chromatographic adsorbents, sensors, membranes, enzymes, and receptor mimetics.…”

Section: Introductionmentioning

confidence: 99%

Synthesis and characterization of molecularly imprinted composite as a novel adsorbent and competition with non-imprinting composite for removal of dye

Yıldırım

Acay

Baran

2021

Journal of the Turkish Chemical Society Section A: Chemistry

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Due to its high visibility, high resistance, and toxic effects, colored substances in the textile and other dyeing industries waste-water cause great damage to biological organisms and ecology. Therefore, current research efforts to develop high selectivity, specificity, and efficient water treatment technologies are very intense, and molecularly imprinting methods (MIM) constitute a category of functional materials to meet these criteria. Polymethylmethacrylate-chitosan molecularly imprinted composite (PMMAC-MIC) and non-imprinted composite (PMMAC-NIC) were successfully prepared by MIM. Dye adsorption performance of MIC and NIC composites was investigated by comparison. The obtained adsorbents were characterized by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM), differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), and zeta potential techniques. The kinetics of adsorption followed a pseudo-first-order model while the Langmuir adsorption isotherm provided the best fit. The maximum adsorption capacity of dye was found as 93.78 mg/g for PMMAC-MIC and 17.70 mg/g for PMMAC-NIC at 298 K temperature, the initial dye concentration was 100 mg/L. Thermodynamic parameters indicated that the removal of dye from PMMAC-MIC was endothermic and spontaneous. Besides, the regeneration of composite was recycled four times.

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Removal of the environmental pollutant carbamazepine using molecular imprinted adsorbents: Molecular simulation, adsorption properties, and mechanisms

Cited by 99 publications

References 34 publications

Remediation of 1-Nitropyrene in Soil: A Comparative Study with Pyrene

Remediation of 1-Nitropyrene in Soil: A Comparative Study with Pyrene

A Review on Molecularly Imprinted Polymers Preparation by Computational Simulation-Aided Methods

Synthesis and characterization of molecularly imprinted composite as a novel adsorbent and competition with non-imprinting composite for removal of dye

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