Results 231 to 240 of about 3,684,752 (344)

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

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

Use of Graph Database for the Integration of Heterogeneous Biological Data. [PDF]

Genomics Inform, 2017
Yoon BH, Kim SK, Kim SY.
europepmc   +1 more source

Adsorption and Separation by Flexible MOFs

Advanced Materials, EarlyView.
Flexible metal–organic frameworks (MOFs) present significant potential for gas storage and separation due to their structural dynamic. This review explores the rationale behind the flexible MOFs' enhanced working capacity and separation factors. It also addresses key challenges, including phase transition kinetics, crystal robustness, cycling, shaping,
Irena Senkovska, Volodymyr Bon, Antonia Mosberger, Yutong Wang, Stefan Kaskel   +4 more
wiley   +1 more source

Photonic Nanomaterials for Wearable Health Solutions

Advanced Materials, EarlyView.
This review discusses the fundamentals and applications of photonic nanomaterials in wearable health technologies. It covers light‐matter interactions, synthesis, and functionalization strategies, device assembly, and sensing capabilities. Applications include skin patches and contact lenses for diagnostics and therapy. Future perspectives emphasize AI‐
Taewoong Park, Jung Woo Leem, Young L. Kim, Chi Hwan Lee   +3 more
wiley   +1 more source

Towards FAIRer Biological Knowledge Networks Using a Hybrid Linked Data and Graph Database Approach. [PDF]

J Integr Bioinform, 2018
Brandizi M, Singh A, Rawlings C, Hassani-Pak K.   +3 more
europepmc   +1 more source

Visual graph analysis for quality assessment of manually labelled documents image database

, 2015
Romain Giot, Romain Bourqui, Nicholas Journet, Anne Vialard   +3 more
openalex   +2 more sources

Designing Physical Unclonable Functions From Optically Active Materials

Advanced Materials, EarlyView.
Assigning unforgeable “fingerprints” to manufactured goods is a key strategy to fight global counterfeiting. Optical physical unclonable functions (PUFs) are chemically generated random patterns of optically active materials serving as unique authenticators.
Maxime Klausen, Junfang Zhang, Molly M. Stevens   +2 more
wiley   +1 more source

Path discovery by Querying the federation of Relational Database and RDF Graph

, 2016
Xiaowang Zhang, Jiahui Zhang, Muhammad Qasim Yasin, Wenrui Wu, Zhiyong Feng   +4 more
openalex   +2 more sources