[HTML][HTML] Simulation-based approaches for drug delivery systems: navigating advancements, opportunities, and challenges

I Salahshoori, M Golriz, MAL Nobre, S Mahdavi… - Journal of Molecular …, 2023 - Elsevier
Efficient drug delivery systems (DDSs) play a pivotal role in ensuring pharmaceuticals'
targeted and effective administration. However, the intricate interplay between drug …

[HTML][HTML] Exploring the Potential of Artificial Intelligence for Hydrogel Development—A Short Review

I Negut, B Bita - Gels, 2023 - mdpi.com
AI and ML have emerged as transformative tools in various scientific domains, including
hydrogel design. This work explores the integration of AI and ML techniques in the realm of …

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 …

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 …

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 …

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 …

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 …

pH-Sensitive adsorption of gastrointestinal drugs (famotidine and pantoprazole) as pharmaceutical pollutants by using the Au-doped@ ZIF-90-glycerol adsorbent …

N Montazeri, I Salahshoori, P Feyzishendi… - Journal of Materials …, 2023 - pubs.rsc.org
Pharmaceutical pollutants, such as gastrointestinal drugs, pose a significant environmental
concern due to their widespread use and potential adverse effects on ecosystems. Insights …

[HTML][HTML] Insights into the morphology and gas separation characteristics of methylene diisocyanate (MDI)-functionalized nanoTiO2 polyurethane: quantum mechanics …

I Salahshoori, MN Jorabchi, M Asghari… - Journal of Materials …, 2023 - Elsevier
It is of important scientific significance to develop membranes with high gas transfer
properties. The primary aim of our study was to inspect the gas separation behavior and …

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 …