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
A genetic algorithm-based ensemble model for efficiently identifying interleukin 6 inducing peptides. [PDF]
Harun-Or-Roshid M, Kurata H.
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
Advancing from MOFs and COFs to Functional Macroscopic Porous Constructs
This review study investigates the recent progress and methodologies for manufacturing metal–organic framework (MOF) or covalent–organic framework (COF)‐based 3D structured macroscopic porous constructs with high structural integrity, providing the possibility to control their porosity across dimensions.
Seyyed Alireza Hashemi+8 more
wiley +1 more source
Polygraph: a software framework for the systematic assessment of synthetic regulatory DNA elements. [PDF]
Lal A+4 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
Impact of pacifier use and parenting characteristics on toddlers' vocabulary development. [PDF]
Barca L, Mazzuca C, Borghi AM.
europepmc +1 more source
Retrospective Review on Reticular Materials: Facts and Figures Over the Last 30 Years
To shape the future course of research in reticular materials, this work reflects on the progress over the past 30 years, complemented by input from the community of 228 active researchers through a global, crowdsourced survey: ranging from demographics, how it works, publish and interact, to highlights on both academic and industrial milestones, as ...
Aamod V. Desai+8 more
wiley +1 more source
Enhanced pre-recruitment framework for clinical trial questionnaires through the integration of large language models and knowledge graphs. [PDF]
Zihang C+5 more
europepmc +1 more source