Results 171 to 180 of about 2,014 (239)

Parenchyma-Sparing Pancreatic Surgery: Current Indications, Results, and Future Prospects. [PDF]

Cancers (Basel)
Caringi S, Delvecchio A, Casella A, Ferraro V, Stasi M, Tralli N, Manzia TM, Tedeschi M, Memeo R.   +8 more
europepmc   +1 more source

Beyond Electrostatics: Anion‐π+ Orbital Hybridization Underpins High‐Performance Chloride Storage in Poly(arylamine) Organic Cathodes

Advanced Science, EarlyView.
The fundamental nature of anion storage in p‐type organic cathodes is elucidated using rigid poly(arylamine) frameworks. This study reveals a hybrid covalent‐ionic mechanism for anion‐π+ interactions, driven by synergistic orbital hybridization and electrostatic attraction.
Tiantian She, Jiena Weng, Jie Wang, Qiao Xi, Yangyang Zhang, Zijie Zhang, Zongqiong Lin, Wei Huang   +7 more
wiley   +1 more source

Nanoscale Chemical Analysis of Heterogeneous Catalysts Using Tip-Enhanced Raman Spectroscopy. [PDF]

Chem Rev
Kumar N, Zheng LQ, Pollard AJ, Wain AJ, Zenobi R.   +4 more
europepmc   +1 more source

Machine Learning Accelerated Non‐Adiabatic Molecular Dynamics Elucidates Local Polarization Effects on Non‐radiative Recombination in Halide Perovskites

Advanced Science, EarlyView.
This work proposes and constructs the Hefei‐NAMD‐S framework based on machine learning stacked models to investigate the relationship between local polarization and non‐radiative recombination. The results indicate that, compared with A‐site local polarization, B‐site local polarization shows a more evident association with the non‐radiative ...
Bing Yang, Xiaoli Wei, Bo Cai, Yan Yang, Xinghai Zhu, Yi Liu, Junmin Xia, Lihui Liu, Kun Cao, Wei Shen, Pengfei Xia, Shufen Chen, Siyu Chen, Jin Zhao   +13 more
wiley   +1 more source

A Neural Network Finite Element Trileaflet Heart Valve Model Incorporating Multi-Body Contact. [PDF]

Int J Numer Method Biomed Eng
Meyer K, Goodbrake C, Sacks MS.
europepmc   +1 more source

Near‐Unity Selectivity Inversion Between CO2 Electroreduction and H2 Evolution via Atomic Coordination Editing

Advanced Science, EarlyView.
Atomic coordination editing functions as an on/off switch that toggles single‐atom catalysts between CO2 electroreduction and hydrogen evolution. ABSTRACT Precise atomic coordination editing of single‐atom catalysts (SACs) provides an effective strategy to tune their electronic structures and catalytic selectivity. Yet, achieving near‐unity selectivity
Yukun Zhao, Yuanyuan He, Mengyu Duan, Peng Yin, Jinxing Chen, Xu Han, Jie Yang, Yulin Wang, Xingjie Fu, Shibo Xi, Chuncheng Chen, Jiong Lu   +11 more
wiley   +1 more source

Design of Single-Atom Catalysts Anchored in N-Doped Biphenylene Using Symbolic Regression for Electrocatalytic Nitrate Reduction to Ammonia. [PDF]

Adv Sci (Weinh)
Shu Z, Shi Z, Jia H, Xu H, Xu Z, Li Z, Ng MF, Tan TL, Huang F, Cai Y.   +9 more
europepmc   +1 more source

De Novo Design of Membrane‐Targeting Antimicrobial Peptides Against Gram‐Negative Bacteria Using a Generative Artificial Intelligence Framework

Advanced Science, EarlyView.
Antimicrobial resistance caused by Gram‐negative bacteria remains difficult to overcome due to the protective outer membrane. To address this challenge, a multi‐condition constrained generative AI framework, GenMTAMP is proposed for de novo membrane‐targeting antimicrobial peptide design by integrating physicochemical and spatial structure descriptors.
Jingxiao Yu, Da‐Wen Sun, QingYi Wei, Yibing Zhang, Jidong Tang, Hongbin Pu   +5 more
wiley   +1 more source

Adsorbate-induced formation of a surface-polarity-driven nonperiodic superstructure. [PDF]

Commun Mater
Yim CM, Zheng Y, Armitage OR, Chakraborti D, Wells CJ, Khim S, Mackenzie AP, Wahl P.   +7 more
europepmc   +1 more source

Entropy Decoding the Fundamental Law of Phase Competition in Glass Formation

Advanced Science, EarlyView.
We validate the integration of intermetallic and eutectic phases as initial phases for composition design. The phase competition mechanism in glass formation is quantitatively clarified based on the melting entropy of competing phases. Glass‐forming ability is modulated by tuning phase competition via the melting entropy of initial phases.
Benke Huo, Zhengqing Cai, Bingtao Wang, Zhenqiang Song, Shi‐Dong Feng, Zijing Li, Xingjun Liu, Li‐Min Wang   +7 more
wiley   +1 more source