AIMC Topic: Adsorption
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Machine Learning Prediction of H Adsorption Energies on Ag Alloys.
Journal of chemical information and modeling
Apr 2, 2019
Adsorption energies on surfaces are excellent descriptors of their chemical properties, including their catalytic performance. High-throughput adsorption energy predictions can therefore help accelerate first-principles catalyst design. To this end, ...
Determining gradient conditions for peptide purification in RPLC with machine-learning-based retention time predictions.
Journal of chromatography. A
Mar 29, 2019
A strategy for determining a suitable solvent gradient in silico in preparative peptide separations is presented. The strategy utilizes a machine-learning-based method, called ELUDE, for peptide retention time predictions based on the amino acid sequ...
Optimizing the removal of strontium and cesium ions from binary solutions on magnetic nano-zeolite using response surface methodology (RSM) and artificial neural network (ANN).
Environmental research
Mar 28, 2019
The feasibility of using magnetic nano-zeolite (MNZ) to remove cesium and strontium from their binary corrosive solutions was investigated by considering the multi-variant/multi-objective nature of the process. RSM (Response Surface Methodology) and ...
Magnetic γ-cyclodextrin polymer with compatible cavity promote the magnetic solid-phase extraction of microcystins in water samples.
Analytica chimica acta
Dec 21, 2018
Microcystins (MCs), which are produced by eruptive cyanobacteria, seriously threaten the health of humans for their poisonousness. Herein, a facile strategy was introduced to synthesize the magnetic γ-cyclodextrin polymer (FeO@PDA@γ-CDP) composite an...
Analysis of the adsorption and retention models for Cd, Cr, Cu, Ni, Pb, and Zn through neural networks: selection of variables and competitive model.
Environmental science and pollution research international
Jun 29, 2018
In this study, the neural networks are used to predict and explain the behavior of different edaphological variables in the adsorption and retention of heavy metals, both isolated and competing. A comparison with the results obtained using multiple r...
Optimization and modeling of methyl orange adsorption onto polyaniline nano-adsorbent through response surface methodology and differential evolution embedded neural network.
Journal of environmental management
Jun 27, 2018
Presence of pigments and dyes in water bodies are growing tremendously and pose as toxic materials and have severe health effects on human and aquatic creatures. Treatments methods for removal of these toxic dyes along with other pollutants are growi...
Adsorptive removal of arsenic by novel iron/olivine composite: Insights into preparation and adsorption process by response surface methodology and artificial neural network.
Journal of environmental management
Jan 4, 2018
Olivine, a low-cost natural material, impregnated with iron is introduced in the adsorptive removal of arsenic. A wet impregnation method and subsequent calcination were employed for the preparation of iron/olivine composite. The major preparation pr...
Green alga-mediated treatment process for removal of zinc from synthetic solution and industrial effluent.
Environmental technology
Dec 29, 2017
The present work explored biosorption of Zn(II) ions from aqueous and zinc-bearing factory effluent using marine seaweed Ulva lactuca. The batch pH edge experiments using aqueous zinc solution indicated that Zn(II) uptake by U. lactuca was found to b...
Antifungal activities against toxigenic Fusarium specie and deoxynivalenol adsorption capacity of ion-exchanged zeolites.
Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes
Dec 29, 2017
Zeolites are often used as adsorbents materials and their loaded cations can be exchanged with metal ions in order to add antimicrobial properties. The aim of this study was to use the 4A zeolite and its derived ion-exchanged forms with Zn, Li, Cu an...
Use of phenyl/tetrazolyl-functionalized magnetic microspheres and stable isotope labeled internal standards for significant reduction of matrix effect in determination of nine fluoroquinolones by liquid chromatography-quadrupole linear ion trap mass spectrometry.
Analytical and bioanalytical chemistry
Dec 29, 2017
In this study, the strategy of unique adsorbent combined with isotope labeled internal standards was used to significantly reduce the matrix effect for the enrichment and analysis of nine fluoroquinolones in a complex sample by liquid chromatography ...
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