[HTML][HTML] Molecular simulation-based insights into dye pollutant adsorption: a perspective review

I Salahshoori, Q Wang, MAL Nobre… - Advances in Colloid and …, 2024 - Elsevier
Growing concerns about environmental pollution have highlighted the need for efficient and
sustainable methods to remove dye contamination from various ecosystems. In this context …

Recent progress in designing heterogeneous COFs with the photocatalytic performance

S Gharanli, RE Malekshah, M Moharramnejad… - Molecular …, 2024 - Elsevier
In recent years, covalent organic framework (COFs) has emerged as a new class due to the
high structural designability and functional tunability. The purpose of this review article is to …

Advancements in wastewater Treatment: A computational analysis of adsorption characteristics of cationic dyes pollutants on amide Functionalized-MOF …

I Salahshoori, MN Jorabchi, S Ghasemi, M Golriz… - Separation and …, 2023 - Elsevier
Recently, research has become increasingly concerned with removing cationic synthetic
dyes from the environment because of their aromatic rings and ecological stability, which …

Assessing cationic dye adsorption mechanisms on MIL-53 (Al) nanostructured MOF materials using quantum chemical and molecular simulations: Toward …

I Salahshoori, MN Jorabchi, S Ghasemi… - Journal of Water …, 2023 - Elsevier
The escalating levels of environmental pollutants, particularly cationic dyes, present a
significant ecological threat. Cationic dyes such as rhodamine B (RB) and methylene blue …

Study of modified PVDF membranes with high-capacity adsorption features using Quantum mechanics, Monte Carlo, and Molecular Dynamics Simulations

I Salahshoori, A Mohseni, MN Jorabchi… - Journal of Molecular …, 2023 - Elsevier
Petrochemical wastewater should be appropriately handled to avoid pollution in natural
water. A current research field in this area is to use super hydrophilic membranes with …

Z-Scheme g-C3N4/Fe3O4/Ag3PO4@ Sep magnetic nanocomposites as heterojunction photocatalysts for green malachite degradation and dynamic molecular …

R Haounati, H Ighnih, H Ouachtak… - Colloids and Surfaces A …, 2023 - Elsevier
In this study, we successfully prepared a Z-scheme heterostructures' nanocomposite using a
co-precipitation method. The nanocomposite was characterized using several techniques …

Exploring ZnO/Montmorillonite photocatalysts for the removal of hazardous RhB Dye: A combined study using molecular dynamics simulations and experiments

R Haounati, H Ighnih, RE Malekshah… - Materials Today …, 2023 - Elsevier
Photocatalytic degradation of pollutants by nanocomposites is one of the most interesting
methods used around the world. However, it is difficult for photocatalysts to provide excellent …

An in silico study of sustainable drug pollutants removal using carboxylic acid functionalized-MOF nanostructures (MIL-53 (Al)-(COOH) 2): Towards a greener future

I Salahshoori, MN Jorabchi, S Ghasemi, M Golriz… - Desalination, 2023 - Elsevier
Emerging environmental pollutants have become a major environmental challenge due to
the highly toxic effluents produced by industries. Among these emerging pollutants …

Insights into the Adsorption Properties of Mixed Matrix Membranes (Pebax 1657-g-Chitosan-PVDF-Bovine Serum Albumin@ZIF-CO3-1) for the Antiviral COVID-19 …

I Salahshoori, N Montazeri… - … Applied Materials & …, 2023 - ACS Publications
The effect of the COVID-19 pandemic on the accumulation of environmental pollutants has
been significant. In that way, waste management systems have faced problems, and the …

MIL-53 (Al) nanostructure for non-steroidal anti-inflammatory drug adsorption in wastewater treatment: Molecular simulation and experimental insights

I Salahshoori, MN Jorabchi, S Ghasemi… - Process Safety and …, 2023 - Elsevier
Pharmaceuticals are prevalent in the environment, especially the nanostructures of non-
steroidal anti-inflammatory drugs (NSAIDs) in water, which can harm human health and the …