Computational Simulations of Metal–Organic Frameworks to Enhance Adsorption Applications
This review highlights the significance of molecular simulations in expanding the understanding of metal–organic frameworks (MOFs) and improving their gas adsorption applications. The historical development and implementation of molecular simulations in the MOF field are given, high‐throughput computational screening studies used to unlock the ...
Hilal Daglar+3 more
wiley +1 more source
The EU global health strategy: from policy to implementation. [PDF]
Skordis J+10 more
europepmc +1 more source
Synthetic Aspects and Characterization Needs in MOF Chemistry – from Discovery to Applications
Overcoming the challenges of phase discovery, synthesis optimization and scale‐up, characterization, and computational studies is essential to accelerate the large‐scale application of MOFs. Life‐cycle analyses and techno‐economic analyses need to be performed to realistically assess their potential for industrial relevance.
Bastian Achenbach+4 more
wiley +1 more source
Numerical Investigation of Conventional and Ultrasound-Assisted Aqueous Extraction of Caffeine from Whole Green Robusta Coffee Beans: Extraction Enhancement via Changing of Extraction Water. [PDF]
Bawornruttanaboonya K+2 more
europepmc +1 more source
Computational Modeling of Reticular Materials: The Past, the Present, and the Future
Reticular materials are advanced materials with applications in emerging technologies. A thorough understanding of material properties at operating conditions is critical to accelerate the deployment at an industrial scale. Herein, the status of computational modeling of reticular materials is reviewed, supplemented with topical examples highlighting ...
Wim Temmerman+3 more
wiley +1 more source
New evidence from the northern Apennines, Italy, suggests a southward expansion of Echinococcus multilocularis range in Europe. [PDF]
Cafiero SA+9 more
europepmc +1 more source
This work explores the MOF landscape to select a single, optimal candidate for successfully delivering cancer drugs (gemcitabine, paclitaxel, SN‐38) into tough pancreatic tumors. Machine learning and simulations guide this search, demonstrating colloidal stability, excellent biocompatibility, cellular uptake, and sustained release.
Francesca Melle+9 more
wiley +1 more source
Cross-border spread of a mosaic resistance (OXA-48) and virulence (aerobactin) plasmid in <i>Klebsiella pneumoniae</i>: a European Antimicrobial Resistance Genes Surveillance Network investigation, Europe, February 2019 to October 2024. [PDF]
Linkevicius M+22 more
europepmc +1 more source
State‐of‐the‐Art, Insights, and Perspectives for MOFs‐Nanocomposites and MOF‐Derived (Nano)Materials
Different approaches to MOF‐NP composite formation, such as ship‐in‐a‐bottle, bottle‐around‐the‐ship and in situ one‐step synthesis, are used. Owing to synergistic effects, the advantageous features of the components of the composites are beneficially combined, and their individual drawbacks are mitigated.
Stefanos Mourdikoudis+6 more
wiley +1 more source
Random forest-based bioavailable strontium isoscape for environmental and archaeological applications in central eastern Argentina and western Uruguay. [PDF]
Scaggion C+12 more
europepmc +1 more source