Cu‐UiO‐66 Catalyzed Synthesis of Imines via Acceptorless Dehydrogenative Coupling of Alcohols and Amines DOI

Yujuan Wu,

Qiang Zhu, Hongyang Xu

et al.

Chemistry - An Asian Journal, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 4, 2024

Abstract Herein, the Cu‐UiO‐66 catalyst was developed for acceptorless dehydrogenative coupling (ADC) between alcohols and amines to produce imines. The synthesized by installing Cu 2+ onto Zr‐oxo clusters in UiO‐66, efficiently catalyzes ADC reaction under mild environmentally friendly conditions with excellent selectivity. Mechanistic studies reveal that O 2 ⋅ − radicals porosity of formed participate cooperatively during catalytic cycle. Meanwhile, only by‐product system is benign water. Cycling tests hot filtration showed exhibited stability activity reaction. Importantly, might provide a promising strategy

Language: Английский

Molecular simulation-based insights into dye pollutant adsorption: A perspective review DOI Creative Commons

Iman Salahshoori,

Qilin Wang, Marcos A.L. Nobre

et al.

Advances in Colloid and Interface Science, Journal Year: 2024, Volume and Issue: 333, P. 103281 - 103281

Published: Aug. 24, 2024

Growing concerns about environmental pollution have highlighted the need for efficient and sustainable methods to remove dye contamination from various ecosystems. In this context, computational such as molecular dynamics (MD), Monte Carlo (MC) simulations, quantum mechanics (QM) calculations, machine learning (ML) are powerful tools used study predict adsorption processes of dyes on adsorbents. These provide detailed insights into interactions mechanisms involved, which can be crucial designing systems. MD detailing arrangements, dyes' behaviour interaction energies with They simulate entire process, including surface diffusion, solvent layer penetration, physisorption. QM especially density functional theory (DFT), determine structures reactivity descriptors, aiding in understanding mechanisms. identify stable configurations like hydrogen bonding electrostatic forces. MC simulations equilibrium properties by sampling configurations. ML proven highly effective predicting optimizing processes. models offer significant advantages over traditional methods, higher accuracy ability handle complex datasets. optimize conditions, clarify adsorbent functionalization roles, removal efficiency under conditions. This research explores MD, MC, QM, approaches connect macroscopic phenomena. Probing these techniques provides energetics pollutants surfaces. The findings will aid developing new materials removal. review has implications remediation, offering a comprehensive at scales. Merging microscopic data observations enhances knowledge pollutant adsorption, laying groundwork efficient, technologies. Addressing growing challenges ecosystem protection, contributes cleaner, more future. • Enviro concern drives eco-friendly Computation unveils Study bridges dynamics, Carlo, mechanics. Insights inform novel adsorbents Integration shapes greener solutions.

Language: Английский

Citations

26

Molecular simulation-based assessing of a novel metal-organic framework modified with alginate and chitosan biopolymers for anionic reactive black 5 and cationic crystal violet pollutants capture DOI

Amir Bateni,

Iman Salahshoori,

Majid Namayandeh Jorabchi

et al.

Separation and Purification Technology, Journal Year: 2025, Volume and Issue: 354, P. 128986 - 128986

Published: Feb. 1, 2025

Language: Английский

Citations

11

Cutting-edge metal-organic frameworks: revolutionizing the adsorptive removal of pharmaceutical contaminants from water DOI

Samra Abbas,

Khalil Ahmad, Khalida Naseem

et al.

Reviews in Inorganic Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 16, 2025

Abstract Water is a basic unit for survival of living creature and over the past few years, increased industrialization urbanization caused huge contamination natural water resources. Major contaminants are pharmacological-wastes, especially antibiotics from hospitals pharmaceutical industries which causes pollution. Pharmacological elimination ecosystem very critical environmental challenge because they persistent cause potential health hazards. Owing to high surface area, tunable-porosity, versatile functionality Metal-Organic Frameworks (MOFs), their composites have emerged as promising materials purification. Various including amoxicillin, doxycycline, levofloxacin, ciprofloxacin successfully removed wastewater using MOFs composites, purifies by adsorption-mechanism. This study reviews advanced progressions in application MOF-based adsorption pollutants. Additionally, plant-based been explored eco-friendly cost-effective pollutant removal. Despite these advancements, challenges such scalability MOF synthesis, stability under operational conditions, toxicity need be addressed commercial application. Future research should focus on optimizing synthesis processes, enhancing recyclability MOFs, conducting long-term environmental-impact assessments ensure sustainable effective treatment solutions.

Language: Английский

Citations

4

MOF UiO-66 and its composites: design strategies and applications in drug and antibiotic removal DOI
Aqsa Iqbal, Hayat Ullah,

Maham Iqbal

et al.

Environmental Science and Pollution Research, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 30, 2025

Language: Английский

Citations

4

Comprehensive insights into molecular simulation-driven advances in functional materials for pollutant mitigation DOI

Iman Salahshoori,

Majid Namayandeh Jorabchi, Morteza Asghari

et al.

Coordination Chemistry Reviews, Journal Year: 2025, Volume and Issue: 534, P. 216580 - 216580

Published: March 8, 2025

Language: Английский

Citations

2

Polymer Nanocomposites: Catalysts for Sustainable Hydrogen Production from Challenging Water Sources DOI
Ahmed Adel A. Abdelazeez,

Mohamed Rabia,

Fuead Hasan

et al.

Advanced Energy and Sustainability Research, Journal Year: 2024, Volume and Issue: unknown

Published: June 22, 2024

In this review, the transformative role of polymer nanocomposites in hydrogen production from challenging water sources is explored. Their catalytic efficiency and unique properties are highlighted, making them vital for overcoming complexities generation. Polymer demonstrate exceptional adaptability to various compositions, including wastewater saline water, enhancing efficiency, stability, compatibility. significance these nanomaterials sustainable energy landscape underscored, showcasing their ability outperform conventional methods. Key breakthroughs emphasized, illustrating crucial clean production. Looking forward, potential applications diverse fields, industrial processes sector advancements, identified. This synthesis findings not only enhances understanding but also sets stage widespread adoption meeting global demand

Language: Английский

Citations

5

Recent advances and applications of stimuli-responsive nanomaterials for water treatment: A comprehensive review DOI Creative Commons

Iman Salahshoori,

Amirhosein Yazdanbakhsh, Majid Namayandeh Jorabchi

et al.

Advances in Colloid and Interface Science, Journal Year: 2024, Volume and Issue: 333, P. 103304 - 103304

Published: Sept. 27, 2024

Language: Английский

Citations

4

Exploring the Potential of Beta-Cyclodextrin-Based MIL-101(Cr) for Pharmaceutical Removal from Wastewater: A Combined Density Functional Theory and Molecular Simulations Study DOI

Iman Salahshoori,

Majid Namayandeh Jorabchi, Seyedeh Masoomeh Sadat Mirnezami

et al.

Environmental Research, Journal Year: 2024, Volume and Issue: 263, P. 120189 - 120189

Published: Oct. 19, 2024

Language: Английский

Citations

3

Molecular docking of Cu(II) and Zn(II) complexes for tyrosinase inhibition and drug loading on boron nitride nanotube scaffolds using Monte Carlo simulations DOI
Najeeb Ullah, Amir Karim, Muhammad Javed Iqbal

et al.

Journal of Molecular Modeling, Journal Year: 2025, Volume and Issue: 31(5)

Published: April 7, 2025

Language: Английский

Citations

0

Laccase immobilization onto MIL–100 (Fe) and chitosan nanofibers: Fabrication, characterization, and investigation of the potential for bisphenol A removal DOI

Seyedeh Masoumeh Kiaee Nasab Abkenar,

Seyed Mohsen Dehnavi

Journal of Water Process Engineering, Journal Year: 2025, Volume and Issue: 74, P. 107827 - 107827

Published: May 1, 2025

Language: Английский

Citations

0