Results 131 to 140 of about 21,386 (201)

Construction of Sabatier Volcanoes for CO2 Hydrogenation to C1‐2 Oxygenates Using Data‐Efficient Machine Learning

Advanced Science, EarlyView.
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley   +1 more source

A Combined Transcriptomic and Machine Learning Study Reveals PAX8 as a Promising Diagnostic Biomarker in Endometriosis. [PDF]

Hum Mutat
Zhu X, Zhong L, Xu Y, Zou Y, Liu M, Tong X.   +5 more
europepmc   +1 more source

Electromagnetic Radiation Stimulated Learning in Perovskite Nickelates

Advanced Science, EarlyView.
ABSTRACT Biological plasticity refers to the ability of synapses to strengthen or weaken over time. These adaptive properties play a fundamental role in learning and memory, spanning many orders of magnitude in timescales. Short‐term plasticity (STP) arises from rapid correlative activity, while long‐term plasticity (LTP) is governed by slower ...
Ranjan Kumar Patel, Kabir Zama, Matthew Smart, Ramya Eathirajan, Ivan Seskar, Narayan Mandayam, Guangxin Ni, Martin Mönnigmann, Shriram Ramanathan   +8 more
wiley   +1 more source

Machine Learning Accelerated Global Search for Adsorption Geometries of Merocyanine Molecule on Hexagonal Boron Nitride. [PDF]

J Comput Chem
Tomar R, Bredow T.
europepmc   +1 more source

Mechanistic Understanding of Protein–MOF Integration Through Surfactant‐Driven Interfacial Design

Advanced Science, EarlyView.
This study reveals how surfactant‐driven interfacial design governs the assembly and stability of protein@MOF composites. Using lipid‐based nonionic surfactants, we modulate protein–MOF interactions to improve encapsulation efficiency, MOF crystallization, and catalytic performance.
Ehsan Rashidniyaghi, Mohammad Khavani, Carlie Coerver, Ruibin Liang, Raheleh Ravanfar   +4 more
wiley   +1 more source

Ultrasound-Clinical Machine Learning Models for Differentiating Early Cervical Cancer from Myoma: A Retrospective Exploratory Study. [PDF]

J Clin Med
Yin L, Lv F.
europepmc   +1 more source

Multiferroic‐Centric Materials and Systems Engineering for Battery Applications: An Insight Into Mechanisms, Strategies, and Characterizations

Advanced Science, EarlyView.
Multiferroic order parameters – polarization, magnetization, and ferroelastic strain – are positioned as dynamic design variables for batteries. Their mechanistic roles, practical tuning through fabrication and external fields, and ferroic‐resolved characterization routes are unified into a closed‐loop framework, revealing how coupled ferroic responses
Jiaqi Su, Yanda Zhu, Hao Peng, Manman Li, Xuzihan Zhang, Meixiao Wu, Siyuan Zhang, Yuhan Zeng, Jiwen Liao, Ming Luo, Hetaishan Huang, Yutong Wang, Sean Li, Wenxian Li   +13 more
wiley   +1 more source

Modelling the impact of dietary diversity on child nutrition in Pakistan: a machine learning analysis with Shapley Additive exPlanations and Boruta interpretability. [PDF]

J Glob Health
Shahid M, Song J, Yahya MA, Dincer H, Yuksel S, Naveed HM, Ali M.   +6 more
europepmc   +1 more source

AI‐Physics‐Experiment Trinity for Integrated Protein Dynamics Modeling

Advanced Science, EarlyView.
This review unites experiments, physics‐based simulations, and AI as a synergistic triad for protein dynamics modeling. It highlights integrative strategies, resolves sampling and forcefield bottlenecks, and outlines challenges and future directions for accurate, interpretable conformational ensemble prediction.
Chen Shi, Minying Low, Peng Xiu, Kresten Lindorff‐Larsen, Yong Wang   +4 more
wiley   +1 more source

Synthesis and machine learning techniques to enable data-driven investigation of supramolecular host-guest interactions. [PDF]

Chem Sci
Shaurya A, Bagherzadeh Mostaghimi AH, Turnbull DR, Hof F, Van Humbeck JF.   +4 more
europepmc   +1 more source