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

MOFs as Versatile Catalysts: Synthesis Strategies and Applications in Value-Added Compound Production

“…Combined surfactant-free spray-assisted and the colloidal deposition methods of the metal nanoparticle on the MOF and MOF + were used to prepare Pt NPs, including an average size of 2.6 ± 0.3 nm and the deposited-on Co-MOF-74@(Pt@Fe 2 O 3 ), respectively. , By using the MOF + technique, Fe 2 O 3 deposited on the MOF surface containing of phenol ligand to form Co-MOF-74@(Pt@Fe 2 O 3 ). The catalyst activity exhibited 63% conversion with 100% selectivity for cinnamaldehyde reduction to cinnamyl alcohol by hydrogenation within 1 h. Zhan et al fabricated the Cu 2 O@HKUST-1@Au hybrid material by application of the galvanic replacement between Cu 2 O and HAuCl 4 .…”

“…MOFs can be introduced as ideal candidates for heterogeneous catalysis for reactions due to (i) physicochemical properties, (ii) the hybrid inorganic/organic structures, (iii) the existence of uncoordinated metal sites and accessible organic sections, (iv) the suitable design of drug delivery systems, and (v) porous systems. MOFs have been introduced successfully as catalysts due to the chemical and structural diversity that can be revealed as effective differences for reactions compared to other traditional catalysts. − MOFs are a family of high nanoporous crystalline materials that are used as heterogeneous chemical catalysis to coordinate polymerization reactions. MOFs can consist of inorganic nodes (metal ions or clusters) and multitopic organic molecules (linkers) via self-assembly to make porous materials .…”

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

“…This makes it particularly useful for high-throughput screening and optimization of materials properties. 71,72 Two distinct methods were employed to ensure precise temperature and pressure equilibration during the NPT (constant number of particles, pressure, and temperature) and NVT (constant number of particles, volume, and temperature) MD simulation processes. Firstly, a Berendsen barostat was utilized to accurately control and maintain the system's pressure under the desired conditions.…”

“…By leveraging molecular simulations, scientists can contribute to mitigating the environmental impact of pharmaceutical pollutants and safeguarding aquatic ecosystems and human well-being. 71,72…”

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 Treatment Drugs Remdesivir and Nirmatrelvir: An In Silico Study

“…The reduction and prevention of environmental pollutants serve as indispensable measures in protecting the human health, conserving the environment, and fostering sustainable economic development. Various issues can arise from these environmental pollutants, such as reduced oxygen levels, toxicity, changes in pH levels, nutrient pollution, and contamination. − Pharmaceutical pollutants, residues of drugs, and their byproducts can enter the water through various sources, have harmful ecological and human health effects, and present challenges for water treatment. − The COVID-19 outbreak, also known as the coronavirus pandemic, has had far-reaching impacts on the environment, society, and economy worldwide. − One of the most noticeable impacts of the pandemic has been on the environment . The COVID-19 pandemic has caused a considerable escalation in the indiscriminate consumption of single-use plastics and medical waste, which has resulted in increased pollution in some areas. , Pharmaceutical pollutants are a growing environmental concern as the widespread use of COVID-19 drug treatments continues to increase globally.…”