Results 41 to 50 of about 1,405 (164)

Crosslinking of Linear Polyimines Into Aminal‐Linked Porous Organic Polymers for C2 Hydrocarbon/Methane Separation

Angewandte Chemie, EarlyView.
Crosslinking of linear polyimines with aromatic diamines via nucleophilic addition converts nonporous polyimine precursors into aminal‐linked porous networks, offering a new strategy for synthesizing porous organic polymers. The resulting materials exhibit high C2 hydrocarbon adsorption capacity, excellent selectivity over CH4, and durable cyclic ...
Xuejie Li, Yayu Yan, Qiaohong Li, Michelle Åhlén, Chao Xu   +4 more
wiley   +2 more sources

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

Ambiphilic Ligand Stabilization of Aluminum(I) Fragments: Halides, Cations, and a Hydride

Angewandte Chemie, EarlyView.
Stabilization of elusive aluminum(I) halides in the framework of an ambiphilic ligand is reported. The unique bonding situation at the trigonal‐bipyramidal aluminum center is analyzed, and the coordination chemistry and Al(I)Br transfer reactivity of the complexes are presented.
Charlotte S. V. Weiß, Philipp Dabringhaus   +1 more
wiley   +2 more sources

Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion

Advanced Intelligent Discovery, EarlyView.
This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia, Christian Mark Pelicano   +1 more
wiley   +1 more source

A New Switchable Zr12 Oxocluster Based Large Pore Metal–Organic Framework Functionalized With Spin Crossover Complexes for Acetic Acid Colorimetric Sensing

Angewandte Chemie, EarlyView.
We present here (1)⊂MIP‐216(Zr), a new hybrid material composed of an FeII spin crossover complex (1) loaded in the pores of a new hydrophobic metal–organic framework (MIP‐216(Zr), that presents a high affinity toward acetic acid and acts as a highly sensitive colorimetric sensor of acetic acid vapor due to a spin state switching of the encapsulated ...
Emmelyne Cuza, Chenchen Cao, Abeer Mohtar, Mohammad Wahiduzzaman, William Shepard, Guillaume Maurin, Moises L. Pinto, Christian Serre, Antoine Tissot   +8 more
wiley   +2 more sources

When Biology Meets Medicine: A Perspective on Foundation Models

Advanced Intelligent Discovery, EarlyView.
Artificial intelligence, and foundation models in particular, are transforming life sciences and medicine. This perspective reviews biological and medical foundation models across scales, highlighting key challenges in data availability, model evaluation, and architectural design.
Kunying Niu, Yuxing Wang, Limin Zou, Jing Huang   +3 more
wiley   +1 more source

Borylcyclopropanes: Synthetic Strategies and Applications

Angewandte Chemie, EarlyView.
Borylcyclopropanes (cyclopropanes bearing a boron substituent) sit at the intersection of two privileged frameworks in synthesis. This review provides the first exhaustive survey of their chemistry, spanning metal–carbene, nucleophilic cyclization, radical, hydroboration, and C─H activation routes, and documenting applications in medicinal chemistry ...
Aiza A. Butt, Joseph M. Ready
wiley   +2 more sources

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

Advanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi, Kazuki Ishizaki, Ryo Fukasawa   +2 more
wiley   +1 more source

Carbon‐Encapsulated Gemini Ionic Liquid as Advanced Bromine Hosts for High‐Performance Zn–Br2 Batteries

Angewandte Chemie, EarlyView.
Rapid self‐discharge limits the practical deployment of Zn–Br2 batteries. Herein, a gemini ionic liquid featuring dual bromine‐binding sites and an aromatic linker is confined within porous carbon electrodes. The ionic liquid simultaneously complexes bromine species and interacts strongly with the carbon matrix, enabling efficient bromine retention ...
Vishwakarma Ravikumar Ramlal, Elayaperumal Sujithkrishnan, Langyuan Wu, Sakengali Kazhiyev, Subramanian Sowmya, Pradip Mamilwad, Sagiv Weintraub, Amey Nimkar, Zhou Yu, Daniel Sharon, Netanel Shpigel   +10 more
wiley   +2 more sources

A Critical Assessment of Bonding Descriptors for Predicting Materials Properties

Advanced Intelligent Discovery, EarlyView.
The impact of new bonding descriptors in machine learning models for predicting material properties is assessed. Improvements are validated using significance tests, and new, intuitive descriptors for screening lattice thermal conductivity and projected force constants are introduced.
Aakash Ashok Naik, Nidal Dhamrait, Katharina Ueltzen, Christina Ertural, Philipp Benner, Gian‐Marco Rignanese, Janine George   +6 more
wiley   +1 more source