Effective Removal of the Direct Black-38 Dye from Wastewater Using a New Silica-Modified Resin: Equilibrium and Thermodynamics Modeling Studies

2020 ◽  
Vol 65 (10) ◽  
pp. 4805-4814
Author(s):  
Ranjhan Junejo ◽  
Shahabuddin Memon ◽  
Savas Kaya
Keyword(s):  
Modeling Studies ◽  
Effective Removal ◽  
Thermodynamics Modeling ◽  
Modified Resin

scholarly journals Effective removal of salicylic and gallic acids from single component and impurity-containing systems using an isatin-modified adsorption resin

RSC Advances ◽  
2017 ◽  
Vol 7 (37) ◽  
pp. 23164-23175 ◽  
Author(s):  
Fei Han ◽  
Chao Xu ◽  
Wei-Zhi Sun ◽  
Shi-Tao Yu ◽  
Mo Xian
Keyword(s):  
Adsorption Properties ◽  
Single Component ◽  
Effective Removal ◽  
Adsorption Resin ◽  
Modified Resin

Studies on the adsorption properties of salicylic and gallic acids by an isatin-modified resin from single and impurity-containing systems.

Synopsis of Epidemic Modeling Studies

2001 ◽  
Author(s):  
Jr Bombardt ◽  
John N.
Keyword(s):  
Epidemic Modeling ◽  
Modeling Studies

Clay liner materials for land disposal of hazardous non-metal wastes

1996 ◽  
Vol 33 (8) ◽  
pp. 71-77
Author(s):  
I. M.-C. Lo ◽  
H. M. Liljestrand ◽  
J. Khim ◽  
Y. Shimizu
Keyword(s):  
Sorption Capacity ◽  
Organic Anion ◽  
Surface Exchange ◽  
Clay Liner ◽  
Effective Removal ◽  
Exchange Constants ◽  
Anionic Species ◽  
Surface Ligand ◽  
Land Disposal

Simple land disposal systems for hazardous and mixed wastes contain heavy metal cationic species through precipitation and ion exchange mechanisms but typically fail by releasing soluble organic and inorganic anionic species. To enhance the removal of anions from leachate, clays are modified with coatings of iron or aluminium cations to bridge between the anionic surface and the anionic pollutants. A competitive surface ligand exchange model indicates that surface coatings of 10 meq cation/gm montmorillonite under typical leachate conditions increase the inorganic anion sorption capacity by at least a factor of 6 and increase the intrinsic surface exchange constants by more than a factor of 100. Similarly, metal hydroxide coatings on montmorillonite increase the organic anion sorption capacity by a factor of 9 and increase the intrinsic surface exchange constants by a factor of 20. For historical concentrations of non-metal anions in US hazardous and mixed waste leachate, sorption onto natural clay liner materials is dominated by arsenate sorption. With cation coatings, anion exchange provides an effective removal for arsenate, selenate, phenols, cresols, and phthalates. Engineering applications are presented for the use of modified clays as in situ barriers to leachate transport of anionic pollutants as well as for above ground treatment of recovered leachate.

p-Trifluoroacetophenone Oxime Ester Derivatives: Synthesis, Antimicrobial and Cytotoxic Evaluation and Molecular Modeling Studies

2020 ◽  
Vol 17 (2) ◽  
pp. 169-183 ◽  
Author(s):  
İrem Bozbey ◽  
Suat Sari ◽  
Emine Şalva ◽  
Didem Kart ◽  
Arzu Karakurt
Keyword(s):  
Molecular Modeling ◽  
Neuroblastoma Cell ◽  
Neuroblastoma Cells ◽  
Cytotoxic Agents ◽  
Human Neuroblastoma Cell ◽  
Human Neuroblastoma ◽  
Modeling Studies ◽  
Broth Microdilution Method ◽  
Molecular Modeling Studies

Background: Azole antifungals are among the first-line drugs clinically used for the treatment of systemic candidiasis, a deadly type of fungal infection that threatens mostly immunecompromised and hospitalized patients. Some azole derivatives were also reported to have antiproliferative effects on cancer cells. Objective: In this study, 1-(4-trifluoromethylphenyl)-2-(1H-imidazol-1-yl)ethanone (3), its oxime (4), and a series of its novel oxime ester derivatives (5a-v) were synthesized and tested for their in vitro antimicrobial activities against certain ATCC standard strains of Candida sp. fungi and bacteria. The compounds were also tested for their cytotoxic effects against mouse fibroblast and human neuroblastoma cell lines. Molecular modeling studies were performed to provide insights into their possible mechanisms for antifungal and antibacterial actions. Methods: The compounds were synthesized by the reaction of various oximes with acyl chlorides. Antimicrobial activity of the compounds was determined according to the broth microdilution method. For the determination of cytotoxic effect, we used MTS assay. Molecular docking and QM/MM studies were performed to predict the binding mechanisms of the active compounds in the catalytic site of C. albicans CYP51 (CACYP51) and S. aureus flavohemoglobin (SAFH), the latter of which was created via homology modeling. Results: 5d, 5l, and 5t showed moderate antifungal activity against C. albicans, while 3, 5c, and 5r showed significant antibacterial activity against Staphylococcus aureus and Pseudomonas aeruginosa. Most of the compounds showed approximately 40-50% inhibition against the human neuroblastoma cells at 100 µM. In this line, 3 was the most potent with an IC50 value of 82.18 μM followed by 5a, 5o, and 5t. 3 and 5a were highly selective to the neuroblastoma cells. Molecular modelling results supported the hypothesis that our compounds were inhibitors of CAYP51 and SAFH. Conclusion: This study supports that oxime ester derivatives may be used for the development of new antimicrobial and cytotoxic agents.

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