Computational Simulations of Metal–Organic Frameworks to Enhance Adsorption Applications
Advanced Materials, EarlyView.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
Advanced Materials, EarlyView.A “ship‐in‐a‐bottle” strategy is used to grow oligomers inside of a MOF by crosslinking alkylamines with epoxides within the pores of Cr‐BDC. When tested in postcombustion carbon capture applications, the composites show excellent performance with high CO2 adsorption capacity, exceptional CO2/N2 selectivity, and enhanced stability over 100 adsorption ...
Jordi Espín +7 more
wiley +1 more source
Computational Modeling of Reticular Materials: The Past, the Present, and the Future
Advanced Materials, EarlyView.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
Efficacy of Vitamin B12 and Adenosine Triphosphate in Enhancing Skin Radiance: Unveiled with a Drug-Target Interaction Deep Learning-Based Model. [PDF]
Curr Issues Mol BiolChun H +8 more
europepmc +1 more source
Dorsal laminectomy for treatment of cervical vertebral stenotic myelopathy in an alpaca [PDF]
Barker, W H J +5 more
core +1 more source
Retrospective Review on Reticular Materials: Facts and Figures Over the Last 30 Years
Advanced Materials, EarlyView.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
Autonomic Nervous System and Possible Determinants of Social Behavior: A Systematic Review of its Relationship Among Psychopathy, Compassion, and Theory of Mind. [PDF]
Clin NeuropsychiatryAtripaldi D, Ricciardi E, Basile B.
europepmc +1 more source
Advanced Materials, EarlyView.This review explores how in situ and operando spectroscopic techniques reveal the real‐time behavior of reticular materials, including MOFs and COFs. These methods track material formation and functionalization, structural changes, defect formation, dynamic responses to external triggers, and catalytic processes.
Bettina Baumgartner +4 more
wiley +1 more source
Hydranencephaly: exploring the role of CT features in the diagnosis of 22 cases. [PDF]
Malawi Med JZhang H +5 more
europepmc +1 more source
Advanced Materials, EarlyView.Reversible protonic ceramic electrochemical cells (R‐PCECs) face challenges from sluggish and unstable oxygen reduction and evolution reactions in the air electrode. This review discusses recent progress in triple‐conducting air electrodes, emphasizing mechanisms, performance factors, and design strategies, offering guidance for creating efficient and ...
Xi Chen +8 more
wiley +1 more source