Results 161 to 170 of about 1,466,211 (327)

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, Hasan Can Gulbalkan, Gokhan Onder Aksu, Seda Keskin   +3 more
wiley   +1 more source

Fatigue‐Resistant Mechanoresponsive Color‐Changing Hydrogels for Vision‐Based Tactile Robots

Advanced Materials, EarlyView.
Mechanoresponsive color‐changing materials that can reversibly and resiliently change color in response to stress are highly desirable for diverse technologies in optics, sensors, and robots; however, such materials are rarely achieved. This work reports a fatigue‐resistant mechanoresponsive color‐changing hydrogel that exhibits reversible, resilient ...
Jiabin Liu, Wei Li, Yu She, Sean Blanchard, Shaoting Lin   +4 more
wiley   +1 more source

Advancing from MOFs and COFs to Functional Macroscopic Porous Constructs

Advanced Materials, EarlyView.
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, Ahmadreza Ghaffarkhah, Ali Akbar Isari, Mahyar Panahi‐Sarmad, Feng Jiang, Orlando J. Rojas, Stefan Wuttke, Mircea Dincă, Mohammad Arjmand   +8 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, Ruben Goeminne, Kuber Singh Rawat, Veronique Van Speybroeck   +3 more
wiley   +1 more source

Rational Design of Metal–Organic Frameworks for Pancreatic Cancer Therapy: from Machine Learning Screening to In Vivo Efficacy

Advanced Materials, EarlyView.
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, Dhruv Menon, João Conniot, Jon Ostolaza‐Paraiso, Sergio Mercado, Jhenifer Oliveira, Xu Chen, Bárbara B. Mendes, João Conde, David Fairen‐Jimenez   +9 more
wiley   +1 more source

Hierarchically MOF‐Based Porous Monolith Composites for Atmospheric Water Harvesting

Advanced Materials, EarlyView.
This review explores the design of hierarchical porous materials for atmospheric water harvesting, focusing on metal‐organic frameworks (MOFs) and porous monoliths. Emphasis is placed on integrating MOF nanoscale porosity with the microscale channels of monolithic scaffolds to enhance sorption‐desorption performance.
Mahyar Panahi‐Sarmad, Tianyu Guo, Seyyed Alireza Hashemi, Ahmadreza Ghaffarkhah, Stefan Wuttke, Mohammad Arjmand, Orlando J. Rojas, Feng Jiang   +7 more
wiley   +1 more source

Construction of evolutionary stability and signal game model for privacy protection in the internet of things. [PDF]

Sci Rep
Li Y, Liu H, Lu L.
europepmc   +1 more source

Advancing Metal–Organic Framework‐Based Composites for Effective Chemical Warfare Agent Detoxification under Real‐World Conditions

Advanced Materials, EarlyView.
This review describes recent developments in the design and synthesis of metal–organic frameworks (MOF)/textile composites for the detoxification of chemical warfare agent and simulants with extensive discussion on the advantages and disadvantages of different methods.
Zhihua Cheng, Kira M. Fahy, Gregory W. Peterson, Kent O. Kirlikovali, Omar K. Farha   +4 more
wiley   +1 more source

Deep reinforcement learning-based controller for DC-link voltage regulation and voltage sag compensation in a solar PV-integrated UPQC system. [PDF]

Sci Rep
Sravani M, Sobhan PVS.
europepmc   +1 more source

Symmetry is the Key to the Design of Reticular Frameworks

Advanced Materials, EarlyView.
Computational prediction of the molecular structure of porous materials, particularly reticular framework materials such as MOFs and COFs, remains a significant challenge. Considering the symmetry of the building blocks that form the desired material, and a similarity score with existing experimentally characterized structures, helps identify promising
Andrea Darù, John S. Anderson, Davide M. Proserpio, Laura Gagliardi   +3 more
wiley   +1 more source