Active binding sites for ofloxacin resulted from adsorptive fractionation of humic acid on kaolinite

Ma, Cuiyan; Bi, Erping

doi:10.1016/j.jenvman.2022.116473

Cited by 8 publications

(4 citation statements)

References 47 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The net negative structural charges of illite and montmorillonite minerals are compensated by the presence of metal cations in the interlayer regions. Importantly, prior simulation studies employing these three clay models have shown good agreement with experimental data on the interfacial structure and dynamical properties of fluids and organics in confined pore regions. ,− …”

Section: Simulation Methodsmentioning

confidence: 61%

Influence of Soil Minerals on the Adsorption, Structure, and Dynamics of GenX

2023

View full text Add to dashboard Cite

In recent years, there have been increasing initiatives undertaken worldwide to employ alternative per- and polyfluoroalkyl substances (PFAS) molecules in order to minimize the environmental and health effects associated with legacy PFAS molecules. Hexafluoropropylene oxide dimer acid (HFPO-DA), commonly known as GenX, is one of the important replacements currently used for PFOA. However, growing investigations suggest that GenX is identified in natural settings, including soils and groundwater, thus emphasizing the need to understand their sorption behavior in these environments. This study provides molecular-level insights into the impact of three different common soil constituents, namely, clay minerals, that vary in mineralogical composition and surface charge distribution in dictating the adsorption and transport characteristics of GenX on a fundamental molecular level for the first time using molecular dynamics simulations. The surface complexation of GenX varies significantly between the three clay minerals, and the factors that dictate the complexation are completely different. Depending upon the clay minerals, both surface-adsorbed and solution-phase GenX are observed. Importantly, the interfacial structure, nearest neighbor coordination, and dynamic behavior of GenX and their correlation with legacy PFAS in minerals systems are presented.

show abstract

Section: Simulation Methodsmentioning

confidence: 61%

Influence of Soil Minerals on the Adsorption, Structure, and Dynamics of GenX

2023

View full text Add to dashboard Cite

show abstract

“…Besides, OFN is also a synthetic broad-spectrum antibiotic that is widely applied for the treatment of pneumonia, bronchitis, chlamydia, skin, and respiratory tract infections . OFN has been frequently detected in surface water, hospital water, sewage water, and municipal sewage treatment plant wastewater at concentrations ranging between ng L –1 and mg L –1 levels. − OFN remaining in the environment may bring detrimental risks on aquatic species, human health, and even resistance development in bacteria because of the potential chronic health effect, thus increasing the abundance of antibiotic resistance genes. , It is demonstrated in a number of studies that traditional wastewater treatment technologies including physical absorption, chemical reactions, and biological degradation cannot completely eliminate antibiotics. ,, Therefore, it is urgent to develop a cost-effective technique for removing OFN from wastewater.…”

Section: Introductionmentioning

confidence: 99%

“…5,6 It is demonstrated in a number of studies that traditional wastewater treatment technologies including physical absorption, chemical reactions, and biological degradation cannot completely eliminate antibiotics. 4,7,8 Therefore, it is urgent to develop a cost-effective technique for removing OFN from wastewater.…”

Section: Introductionmentioning

confidence: 99%

Unraveling the Degradation Mechanism and Interaction Mechanism of Ofloxacin Based on Reactive Oxygen Species via Electrochemically Activating Peroxymonosulfate

Li,

Cen,

et al. 2024

ACS EST Eng.

View full text Add to dashboard Cite

Peroxymonosulfate (PMS) as an oxidant has been extensively applied to remove organic pollutants, but the molecular interaction mechanism of PMS and organic pollutants under the electrochemical process remains unclear. This work unraveled the interaction relationship of PMS on ofloxacin (OFN) degradation by PMS-based electrochemical oxidation. The results showed that hydroxyl and sulfate radicals generated from the electrochemical reaction could effectively degrade OFN. Under the electrochemical oxidation process, 100% or 12.1 ± 2.1% of OFN was degraded within 15 min in the presence or absence of PMS, respectively. Quantum chemical calculations and molecular dynamics simulations indicated that the hydrogen bonds and van der Waals force were the primary interaction force between PMS and OFN. Besides, the PMS−OFN binding process was a stable dynamic process, and its stability was dependent on the number of hydrogen bonds generated. The structure−activity relationship suggested that OFN was transformed into short-chain intermediates with lower toxicity within 15 min. Additionally, this electrochemical system for degrading OFN retained excellent reusability and recyclability, affording high oxidation ability during successive cycles. More importantly, this electrochemical process could highly efficiently degrade various organic pollutants (4-chlorophenol, methyl orange, sulfamethoxazole, and perfluorooctanoic acid). This study provided a new possibility for the application of the electrochemical system in large-scale wastewater treatment.

show abstract

“…The detection of a smectite admixture in kaolinite samples is a problem [24]. Organic impurities, including those of biological origin, may have had a similar effect [25]. Higher adsorption values than expected were generally not confronted with an accurate analysis of the mineral composition of the adsorbent.…”

mentioning

confidence: 99%

Controversial Issues Related to Dye Adsorption on Clay Minerals: A Critical Review

Bujdák

2023

Molecules

View full text Add to dashboard Cite

This critical review points out the most serious and problematic issues to be found in the literature on the adsorption of dyes on clay minerals. The introduction draws attention to the fundamental problems, namely the insufficient characterization of adsorbents, the influence of impurities on the adsorption of dyes, and the choice of inappropriate models for the description of the very complex systems that clay minerals and their systems represent. This paper discusses the main processes accompanying adsorption in colloidal systems of clay minerals. The relationship between the stability of the colloidal systems and the adsorption of dye molecules is analyzed. The usual methodological procedures for determining and evaluating the adsorption of dyes are critically reviewed. A brief overview and examples of modified clay minerals and complex systems for the adsorption of organic dyes are summarized. This review is a guide for avoiding some faults in characterizing the adsorption of organic dyes on clay minerals, to improve the procedure for determining adsorption, to evaluate results correctly, and to find an appropriate theoretical interpretation. The main message of this article is a critical analysis of the current state of the research in this field, but at the same time, it is a guide on how to avoid the most common problems and mistakes.

show abstract

Active binding sites for ofloxacin resulted from adsorptive fractionation of humic acid on kaolinite

Cited by 8 publications

References 47 publications

Influence of Soil Minerals on the Adsorption, Structure, and Dynamics of GenX

Influence of Soil Minerals on the Adsorption, Structure, and Dynamics of GenX

Unraveling the Degradation Mechanism and Interaction Mechanism of Ofloxacin Based on Reactive Oxygen Species via Electrochemically Activating Peroxymonosulfate

Controversial Issues Related to Dye Adsorption on Clay Minerals: A Critical Review

Contact Info

Product

Resources

About