Results 201 to 210 of about 9,715,830 (339)

An Accurate and Efficient Reaction Path Search with Iteratively Trained Neural Network Potential: Answering the Passerini Mechanism Controversy. [PDF]

J Chem Theory Comput
Staub R, Harabuchi Y, Seraphim C, Varnek A, Maeda S.   +4 more
europepmc   +1 more source

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

Robust Bio‐Textiles Via Mycelium‐Cellulose Interface Engineering

Advanced Functional Materials, EarlyView.
This work introduces a new class of sustainable textiles by growing mycelium, the root‐like structure of fungi, into cellulose‐based fabrics. This semi‐interpenetrating mycelium‐cellulose fiber network combines the strength and breathability of natural fibers with the water‐resistant and adhesive properties of mycelium, resulting in a robust, scalable,
Wenhui Xu, Qilong Cheng, Waqas Alam, Yanpei Tian, Pengfei Deng, Zhenyuan Niu, David Warsinger, Tian Li   +7 more
wiley   +1 more source

Electrochemical Formation of BiVO4/BiPO4 Photoanodes for Enhanced Selectivity toward H2O2 Generation

Advanced Functional Materials, EarlyView.
In acidic KPi, V dissolves from the BiVO4 lattice, while adsorbed phosphate reacts with the electrode under an external bias, forming a BiPO4 surface layer. This BiPO4 layer exhibits stronger bicarbonate adsorption, redirecting the water oxidation pathway toward two‐electron H2O2 production.
Kaijian Zhu, Xinyi Zhang, Lan Wen, Hongjiang Chen, Yudhistira Tirtayasri Amrillah, Vivi Fauzia, Hongzhen Dong, Shaoqiang Su, Wenjun Luo, Ferry Anggoro Ardy Nugroho, Patrick H.‐L. Sit, Yun Hau Ng, Fatwa F. Abdi   +12 more
wiley   +1 more source

Digital Discovery of Synthesizable Metal−Organic Frameworks via Molecular Dynamics‑Informed, High‑Fidelity Deep Learning

Advanced Functional Materials, EarlyView.
Tabular foundation model interrogates the synthetic likelihood of metal−organic frameworks. Abstract Metal–organic frameworks (MOFs) are celebrated for their chemical and structural versatility, and in‑silico screening has significantly accelerated their discovery; yet most hypothetical MOFs (hMOFs) never reach the bench because their synthetic ...
Xiaoyu Wu, Rui Zheng, Quan Liu, Jianwen Jiang   +3 more
wiley   +1 more source

Integrative Approaches for DNA Sequence‐Controlled Functional Materials

Advanced Functional Materials, EarlyView.
DNA is emerging as a programmable building block for functional materials with applications in biomimicry, biochemical, and mechanical information processing. The integration of simulations, experiments, and machine learning is explored as a means to bridge DNA sequences with macroscopic material properties, highlighting current advances and providing ...
Aaron Gadzekpo, Ewa Anna Oprzeska‐Zingrebe, Mariana Kozlowska, Lennart Hilbert, Iliya D. Stoev   +4 more
wiley   +1 more source

Electron–Matter Interactions During Electron Beam Nanopatterning

Advanced Functional Materials, EarlyView.
This article reviews the electron–matter interactions important to nanopatterning with electron beam lithography (EBL). Electron–matter interactions, including secondary electron generation routes, polymer radiolysis, and electron beam induced charging, are discussed.
Camila Faccini de Lima, Prathiba Thamizhavel, Taylor J. Woehl   +2 more
wiley   +1 more source

Database Theory in Action: Cypher, GQL, and Regular Path Queries [PDF]

Alin Deutsch, Nadime Francis, Alastair Green, Keith Hare, Bei Li, Leonid Libkin, Tobias Lindaaker, Victor Marsault, Wim Martens, Jan Michels, Filip Murlak, Stefan Plantikow, Petra Selmer, Hannes Voigt, Oskar van Rest, Domagoj Vrgoč, Mingxi Wu, Fred Zemke   +17 more
openalex   +1 more source

Database theory column

SIGA, 1989
S. Abiteboul, P. Kanellakis
semanticscholar   +1 more source

A scoping review of the use of behavioral theories in health professionals' continuing professional development research. [PDF]

BMC Med Educ
Adlan O, Stewart D, Ahmed Y, Al-Ismail M, Al-Omary H, Nazar Z.   +5 more
europepmc   +1 more source