Results 171 to 180 of about 120,723 (210)

Machine Learning Techniques for Computational Characterization of Protein-Associated Small Molecules with Therapeutic Relevance. [PDF]

ACS Omega
Ali J, Aqib M, Ali Y, Malik MA.
europepmc   +1 more source

Steering Oxygen Activation Pathways via Redox Dual‐Defects in 2D Hydrated WO3 for High‐Yield Singlet Oxygen Evolution

Advanced Functional Materials, EarlyView.
Redox dual‐defects (Cs substitution and O vacancies) in 2D hydrated WO3 steer O2 activation toward selective singlet oxygen evolution. WO‐CO achieves 8.6–15.8 times higher 1O2 production than single‐defect or pristine catalysts, enabling efficient pollutant mineralization via a pathway‐selective photocatalytic mechanism.
Sheng‐Qi Guo, Mingqi Xiao, Fangyuan Zhang, Hui Li, Yuli Jia, Zhenfang Zhang, Liqun Ye, Bo Yang, Tianyi Ma   +8 more
wiley   +1 more source

Machine Learning-Based Prediction of Polymer Properties Using Structure-Property Relationship Modeling. [PDF]

Polymers (Basel)
Rahman MH, Arifuzzaman M, Haque ME, Naidu RS, Hoque ME, Martuza MA.   +5 more
europepmc   +1 more source

Bandgap‐Engineered AlGaAs/GaAs Heterostructures for Wavelength‐Selective Dual‐Polarity Photoelectrochemistry

Advanced Functional Materials, EarlyView.
Bandgap‐engineered AlGaAs/GaAs heterostructures exhibit wavelength‐selective dual‐polarity photoelectrochemistry, switching from photocathodic to photoanodic response depending on excitation wavelength. The polarity transition is governed by band‐selective absorption, built‐in electric‐field‐driven carrier transport, and interfacial charge‐transfer ...
Yukai Mao, Lipin Chen, Jules Courtin, Siyu Lin, Gangri Cai, Yan Zhu, Yoan Léger, Nicolas Bertru, Jinshi Zhao, Charles Cornet   +9 more
wiley   +1 more source

Predictive modeling for physicochemical properties of β-lactam antibiotics through eigenvalue based topological indices and non linear regression techniques. [PDF]

Sci Rep
Yuvaraj A, Kalaimurugan G, Thamizhmaran R, Tajudeen MM, Contreras RC.   +4 more
europepmc   +1 more source

Review of Thermally Activated Twisted Coiled Polymer Actuators: A Materials Science Perspective

Advanced Functional Materials, EarlyView.
Thermally activated twisted and coiled polymer actuators (TCPAs) combine lightweight design, large deformation, and scalable fabrication for soft robotic and wearable applications. This review connects polymer structure, processing history, helix geometry, and thermomechanical characterization to actuator performance, highlighting current challenges in
Nadja Schenk, Lukas Benecke, Chokri Cherif, Johannes Mersch   +3 more
wiley   +1 more source

Machine Learning-Based Composition Design of Functionally Graded Alloys. [PDF]

Materials (Basel)
Yu Y, Wang Y, Zhao P, Zhang B, Huang Y.
europepmc   +1 more source

Is It Real Type‐II or S‐Scheme? A Three‐Phase Diagnostic Protocol for Identifying Potentially Mislabeled Heterojunction Photocatalysts

Advanced Functional Materials, EarlyView.
Diagnostic analysis via the heterojunction validation funnel. The funnel illustrates the hierarchical stratification of 30 reported Type‐II systems based on the three‐phase, seven‐step diagnostic framework. Complete validation through all phases is achieved by only 3.3% of systems, while 96.7% lack full mechanistic validation, revealing a pervasive ...
Ki‐Hyun Kim
wiley   +1 more source

Nanoinformatics: spanning scales, systems and solutions. [PDF]

Beilstein J Nanotechnol
Lynch I, Martinez DST, Roy K, Melagraki G.   +3 more
europepmc   +1 more source

Mesoscale Domain Evolution Mechanism during Alternating Current (AC) Poling of Relaxor Ferroelectrics

Advanced Functional Materials, EarlyView.
Ferroelectric domain variants that are energetically equivalent are expected to remain preserved during polarization reversal. However, phase‐field simulations reveal that inclined domain walls in relaxor ferroelectrics can undergo irreversible elimination during alternating current poling through a proximity effect driven by long‐range elastic ...
Yuan‐Jie Sun, Bo Wang, Long‐Qing Chen   +2 more
wiley   +1 more source