Results 121 to 130 of about 16,669 (267)

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

Advanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu, Akhil Pratap Singh, Pablo Campomanes, Stefano Vanni   +3 more
wiley   +1 more source

Total Synthesis of (+)-Malbrancheamide B Employing a Bioinspired Strategy. [PDF]

Org Lett
Bosi MA, Pohl R, Jahn U.
europepmc   +1 more source

Engineering Strategies for Stable and Long‐Life Alkaline Zinc‐Based Flow Batteries

Advanced Functional Materials, EarlyView.
Alkaline zinc‐based flow batteries face persistent challenges from unstable zinc deposition, including dendrite growth, passivation, corrosion, and hydrogen evolution, which severely limit cycling stability. Current research addresses these issues through coordinated electrode structuring, electrolyte regulation, and membrane design to control zinc ...
Yuran Bai, Xiaoyu Huo, Xin Long, Enkang Fu, Xusong Gong, Lei Wei, Liang An   +6 more
wiley   +1 more source

Friedel-Crafts-Type Electrophilic Radiocyanation of (Hetero)arenes. [PDF]

Org Lett
McCarthy CJ, Müller M, Ma R, Battisti UM, Wright JS, Webb EW, Sanford MS, Herth MM, Scott PJH.   +8 more
europepmc   +1 more source

Tough Injectable Hydrogels Enabled by Integrating Rigid Homogeneous Framework With Flexible Chains

Advanced Functional Materials, EarlyView.
Tough injectable hydrogels are constructed by integrating a rigid, homogeneous hyaluronic acid framework with flexible long‐chain connectors. This framework–flexible structure simultaneously enhances network uniformity and promotes effective energy dissipation by enlarging plastic deformation zones under compression.
Rijian Song, Runqi Zhu, Cameron Milne, Melissa Johnson, Chunyu Zhao, Qiang Geng, Yinghao Li, Jing Lyu, Qiang Li, Sigen A, Wenxin Wang   +10 more
wiley   +1 more source

In‐Situ Solution Complexation for n‐Type Surface‐Energetics Reconstruction in 2.0 eV Ultra‐Wide‐Bandgap Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
A reactive in situ solution complexation strategy reconstructs the surface of 2.0 eV ultra‐wide‐bandgap perovskites via proton transfer. This chemical modulation eliminates metallic defects and induces a degenerate‐like n‐type surface, establishing an Ohmic tunneling contact.
Saemon Yoon, Han‐Gyun Lim, Jinyoung Kim, Gyu Min Kim, Seojun Lee, Jun Ryu, SungWon Cho, Jincheol Kim, Hyosung Choi, Jung Sang Cho, Jongsung Park, Dong‐Won Kang   +11 more
wiley   +1 more source

Tryptophan Bioconjugation through Auxiliary Boron-Accelerated, Additive-Free Friedel-Crafts Alkylation. [PDF]

JACS Au
Uzoewulu CP, Joyner EC, Thuan JC, Rose K, Colella BM, Nizam ZM, Ishizawa S, Meguro Y, Enomoto M, Ohata J.   +9 more
europepmc   +1 more source

Single‐ and Dual‐Atom Configurations in Atomically Dispersed Catalysts for Lithium–Sulfur Batteries

Advanced Functional Materials, EarlyView.
Single‐atom and dual‐atom‐based atomically dispersed catalysts (ADCs) effectively address the shuttle effect and sluggish redox kinetics in Li–S batteries. With nearly 100% atomic utilization and tunable coordination environments, ADCs enhance LiPSs adsorption, lower conversion barriers, and accelerate sulfur redox reactions.
Haoyang Xu, Zhenfeng Li, Yue Fei, Ali Mohammadi, Ge Li   +4 more
wiley   +1 more source

Contrastive learning-based video quality assessment-jointed video vision transformer for video recognition. [PDF]

Neural Comput Appl
Sun J, Mahoor M.
europepmc   +1 more source

Swelling‐Programmed Topographical Guidance for Dynamic Spheroid Self‐Assembly via a Mechanochemical Hydrogel Niche

Advanced Functional Materials, EarlyView.
A swelling‐programmed micropatterned hydrogel guides adherent cells through a controlled transition from cell–matrix anchoring to cadherin‐mediated cell–cell compaction, enabling rapid assembly of high‐viability spheroids with defined size and morphology.
Han Gyeol Nam, Seon Yeong Chae, Young Woo Kwon, Hye Jin Heo, Hye Rin Lee, Ji Hyeok Lee, Dong‐Wook Han, Yun Hak Kim, Suck Won Hong   +8 more
wiley   +1 more source