Navigating the molecular landscape of environmental science and heavy metal removal: A simulation-based approach

I Salahshoori, MAL Nobre, A Yazdanbakhsh… - Journal of Molecular …, 2024 - Elsevier
Heavy metals pose a significant threat to ecosystems and human health because of their
toxic properties and their ability to bioaccumulate in living organisms. Traditional removal …

Metal-organic frameworks: A new generation potential material for aqueous environmental remediation

A Bhuyan, M Ahmaruzzaman - Inorganic Chemistry Communications, 2022 - Elsevier
With the rapid increase in the human population, freshwater availability is decreasing at an
alarming rate. A large amount of wastewater is generated every year due to rapid …

Exploration and removal of multiple metal ions using mixed-linker-architected Zn-MOF in aqueous media

K Arya, A Kumar, S Mehra, A Kumar, SK Mehta… - Separation and …, 2023 - Elsevier
Abstract A Zn-based 3D MOF,[Zn 2 (H 3 L 1)(L 2)]. H 2 O named PUC-5 was synthesized
using trimesic acid (H 3 L 1) and 1-(3-aminopropyl) Imidazole (L 2) by solvothermal method …

Highly efficient and selective capture Pb (II) through a novel metal-organic framework containing bifunctional groups

RD Wang, L He, RR Zhu, M Jia, S Zhou, J Tang… - Journal of Hazardous …, 2022 - Elsevier
The design and development of materials with a selective adsorption capacity for Pb (II) are
very important for environmental governance and ecological safety. In this work, a novel 3D …

Mineralization and electroreduction-recycling of toxic Pb2+ ions using memory-effect of layered double hydroxide structure with ultrahigh capacity

C Li, Z Li, J Wang, W Xiong, H Yan, Y Bai… - Chemical Engineering …, 2023 - Elsevier
Lead (Pb) as one of the most widespread toxic heavy metals in both water distribution
systems and in surface water, it still remains a challenge to quickly and completely …

Metal–Organic Framework (MOF) through the lens of molecular dynamics simulation: current status and future perspective

AH Mashhadzadeh, A Taghizadeh… - Journal of Composites …, 2020 - mdpi.com
As hybrid porous structures with outstanding properties, metal–organic frameworks (MOFs)
have entered into a large variety of industrial applications in recent years. As a result of their …

Catalytic adsorptive elimination of deleterious contaminant in a pilot fluidised-bed reactor by granulated Fe3O4/Cu-MOF/cellulose nanocomposites: RSM optimisation …

M Ebrahimi Farshchi, H Aghdasinia… - International Journal …, 2024 - Taylor & Francis
ABSTRACT A novel catalyst was synthesised in a way that it could be applied in
simultaneous adsorption and heterogeneous Fenton processes. The granulated …

A molecular dynamic simulation study of anticancer agents and UiO-66 as a carrier in drug delivery systems

T Boroushaki, MG Dekamin… - Journal of Molecular …, 2022 - Elsevier
Targeted drug delivery systems are effective ways to reduce side effects and enhance the
therapeutic efficacy of drugs. Metal-organic frameworks are a new class of porous materials …

Experimental and Simulation Studies of the Adsorption of Methylbenzene by Fe (III)-Doped NU-1000 (Zr)

J Yang, M Gao, S Wang, M Zhang, L Chen… - … Applied Materials & …, 2022 - ACS Publications
Metal–organic framework (MOF) materials, NU-1000 (Zr) and Fe (III)-doped NU-1000 (Zr),
were prepared through the hydrothermal method and used to remove methylbenzene in this …

Metal− Organic Frameworks for Water Decontamination and Reuse: A Dig at Heavy Metal Ions and Organic Toxins

N Singh, A Dhillon, M Nemiwal… - … − Organic Frameworks for …, 2021 - ACS Publications
The deterioration of surface and groundwater by several pollutants is a severe global issue.
Excess of these impurities inflicts violent health hazards for humans and other conscious …