Density Functional Theory analysis and molecular dynamic simulation to understand the mechanism of hazardous dyes adsorption onto cellulose in aqueous solution.

This work examines the use of cellulose in the elimination of anionic dye, indigo carmine and methyl red, from aqueous media. Theoretical analyses revealed that the examined compounds had several reactive sites that encouraged dyes to adhere to the cellulose surface, and molecular dynamics simulations demonstrated that this adsorption occurred flat-lying on the cellulose (200) surface. However, it has been discovered that the reactivity of individual molecules is limited in its ability to foretell the effectiveness and characteristics of compound adsorption on cellulose.

Recent trends in magnetic spinel ferrites and their composites as heterogeneous Fenton-like catalysts: A review.

In recent years, there has been a growing interest in utilizing spinel ferrite and their nanocomposites as Fenton-like catalysts. The use of these materials offers numerous advantages, including ability to efficiently degrade pollutants and potential for long-term and repeated use facilitated by their magnetic properties that make them easily recoverable. The remarkable catalytic properties, stability, and reusability of these materials make them highly attractive for researchers.

Olive mill wastewater treatment using natural adsorbents: phytotoxicity on durum wheat (Triticum turgidum L. var. durum) and white bean (Phaseolus vulgaris L.) seed germination.

This research was undertaken to optimize the phenolic compound removal from Olive Mill Wastewater (OMW) by sawdust and red clay as natural adsorbents. Fractional factorial experimental design at 2 was used in order to optimize the experimental conditions for high removal efficiency. Statistics ANOVA analysis, Fisher's test, and Student's test suggested that the adsorbent dose has the most significant influence on polyphenol removal for both adsorbents.

The state of art on the prediction of efficiency and modeling of the processes of pollutants removal based on machine learning.

During the last few years, important advances have been made in big data exploration, complex pattern recognition and prediction of complex variables. Machine learning (ML) algorithms can efficiently analyze voluminous data, identify complex patterns and extract conclusions. In chemical engineering, the application of machine learning approaches has become highly attractive due to the growing complexity of this field.

Chemically modified carbon-based electrodes for the determination of paracetamol in drugs and biological samples.

Paracetamol is a non-steroidal, anti-inflammatory drug widely used in pharmaceutical applications for its sturdy, antipyretic and analgesic action. However, an overdose of paracetamol can cause fulminant hepatic necrosis and other toxic effects. Thus, the development of advantageous analytical tools to detect and determine paracetamol is required.

Comparative overview of advanced oxidation processes and biological approaches for the removal pharmaceuticals.

Nowadays, pharmaceuticals are the center of significant environmental research due to their complex and highly stable bioactivity, increasing concentration in the water streams and high persistence in aquatic environments. Conventional wastewater treatment techniques are generally inadequate to remove these pollutants. Aiming to tackle this issue effectively, various methods have been developed and investigated on the light of chemical, physical and biological procedures.

SARS-CoV-2 in hospital wastewater during outbreak of COVID-19: A review on detection, survival and disinfection technologies.

Currently, the apparition of new SARS-CoV, known as SARS-CoV-2, affected more than 34 million people and causing high death rates worldwide. Recently, several studies reported SARS-CoV-2 ribonucleic acid (RNA) in hospital wastewater. SARS-CoV-2 can be transmitted between humans via respiratory droplets, close contact and fomites.

A combined molecular dynamic simulation, DFT calculations, and experimental study of the eriochrome black T dye adsorption onto chitosan in aqueous solutions.

This study aims to evaluate and understand the adsorption of eriochrome black T (EB) by chitosan extracted from local shrimp shells under different experimental conditions. Chitosan samples were characterized by XRD, SEM, and FTIR. Experimental results indicate that the process was pH-dependent with a high adsorption capacity in acidic medium.