Results 141 to 150 of about 1,165,644 (258)

Unleashing the Power of Machine Learning in Nanomedicine Formulation Development

Advanced Functional Materials, EarlyView.
A random forest machine learning model is able to make predictions on nanoparticle attributes of different nanomedicines (i.e. lipid nanoparticles, liposomes, or PLGA nanoparticles) based on microfluidic formulation parameters. Machine learning models are based on a database of nanoparticle formulations, and models are able to generate unique solutions
Thomas L. Moore, Cristiano Pesce, Antonietta Greco, Claudia Pisante, Greta Avancini, Valentina Di Francesco, Yosi Shamay, Paolo Decuzzi   +7 more
wiley   +1 more source

ASH: A Multi-Scale, Multi-Theory Modeling Program. [PDF]

J Comput Chem
Bjornsson R.
europepmc   +1 more source

Auto‐Generated Valence States in Electrocatalysts for Boosting Oxygen and Hydrogen Evolution Kinetics in Alkaline Water/Alkaline Seawater/Simulated Seawater/Natural Seawater

Advanced Functional Materials, EarlyView.
This review systematically highlights the latest achievements in mixed‐valence states relevant to hydrogen and oxygen evolution reactions, providing essential insights into future directions and methods for large‐scale practical implementation. This critical review is expected to provide an overview of recent advancements in diverse valence‐state metal
Jitendra N. Tiwari, Gokul Bhaskaran, Krishan Kumar, Yun Suk Huh, Young‐Kyu Han   +4 more
wiley   +1 more source

Formulation of an Efficient O(<i>M</i>⁴)-Scaling Explicitly Correlated MP2-F12 Correction by Combining Numerical Quadrature with Density Fitting and CABS-RI. [PDF]

J Chem Theory Comput
Urban L, Laqua H, Thompson TH, Ochsenfeld C.   +3 more
europepmc   +1 more source

Slight Truncation Changes in Iron Oxide Nanocubes Strongly Affect Their Magnetic Properties

Advanced Functional Materials, EarlyView.
Subtle variations in nanoparticle morphology can lead to significant changes in functional properties. An automated shape‐fitting method captures minor differences in corner truncation between iron oxide nanocubes of similar sizes synthesized under identical conditions, revealing pronounced disparities in their magnetic and hyperthermia behavior ...
Kingsley Poon, Raúl López‐Martín, Verner Håkonsen, Nader Yaacoub, Francisco J. Terán, Alberto López Ortega, Jose A. De Toro, Gurvinder Singh   +7 more
wiley   +1 more source

Computational and Statistical Physics Approaches for Complex Systems and Social Phenomena. [PDF]

Entropy (Basel)
Diep HT, Kaufman M, Kaufman S.
europepmc   +1 more source

Bio‐Orthogonally Crosslinked Supramolecular Polymer Bottlebrush Hydrogels for Long‐Term 3D Cell Culture

Advanced Functional Materials, EarlyView.
Fibrous benzenetrispeptide (BTP) hydrogels, fabricated via strain‐promoted azide‐alkyne cycloaddition (SPAAC) crosslinking, form robust, bioinert networks. These hydrogels can support 3D cell culture, where cell viability and colony growth depend on the fiber content.
Ceren C. Pihlamagi, David Pretzel, Peer Nölte, Kourosh Rezaei, Ulrich S. Schubert, Johannes C. Brendel   +5 more
wiley   +1 more source

Oxygen Attachment Dissociation of Protonated Reserpine and Its Analogs. [PDF]

Rapid Commun Mass Spectrom
Li JG, Bowen CJ, Chan B, Stewart AWE, Takahashi H, O'Hair RAJ.   +5 more
europepmc   +1 more source

From Single Atoms to Nanoparticles: Pathways Toward Efficient and Durable Pt/TiO2 Photocatalysts

Advanced Functional Materials, EarlyView.
Platinum single atoms on TiO2 nanosheets evolve into clusters and nanoparticles under ethanol photoreforming and thermal treatments. By controlling deposition and post‐treatments, particle size and location on specific facets are modulated. The study reveals how stability pathways determine efficiency, guiding the design of more durable photocatalysts.
Juan José Delgado, Enqi Bu, Yaning Han, Carlos López‐Cartes, Mónica Calatayud, Huiyan Pan, Xiaowei Chen   +6 more
wiley   +1 more source

Comprehensive Comparison of Molecular Fragmentation Schemes for Proteins. [PDF]

J Chem Theory Comput
Rüther K, Bunge K, Hilmer LM, Hellmers J, König C.   +4 more
europepmc   +1 more source