Results 151 to 160 of about 226,892 (266)

Rational design of a fluorescent probe for the enantioselective and chemoselective recognition of chiral cysteine in wheat. [PDF]

Food Chem X
Yu X, Zeng C, Chen S, Liu Q, Fan C, Dong Q, Liang X, Chi W, Zeng C.   +8 more
europepmc   +1 more source

Microstructure Reconstruction in Battery Electrodes Using Machine Learning Based on Low‐Voltage Focused Ion Beam–Scanning Electron Microscopy Tomography Images

Advanced Engineering Materials, EarlyView.
Low‐voltage FIB‐SEM tomography combined with a image preprocessing pipeline improves phase contrast and enables reliable machine‐learning segmentation of conductive networks in lithium‐ion battery electrodes. Structural descriptors are extracted from segmented images, done semimanually and automated, and compared.
Lisa Beran, Vincent Nebel, Dominik Perius, Kshitij Kumar, Yannis Heim, Laura Bies, Tobias Kraus   +6 more
wiley   +1 more source

Rational design of interfacial sp C─S─Zn hybridization in ZnS/graphdiyne for mercury vapor capture. [PDF]

Sci Adv
Pan C, Jie C, Xia Z, Xu K, Yao Y, Li H.
europepmc   +1 more source

Triple Junctions as Dislocation‐Like Defects: The Role of Grain Boundary Crystallography Revealed by Experiment and Atomistic Simulation

Advanced Engineering Materials, EarlyView.
Grain boundary triple junctions are an essential ingredient of the microstructure of polycrystalline materials. In this study, a triple junction is observed using atomic‐resolution scanning transmission electron microscopy and characterized. Computer simulations reveal that the junction has a dislocation character that is determined by the joining ...
Tobias Brink, Saba Saood, Peter Schweizer, Jörg Neugebauer, Gerhard Dehm   +4 more
wiley   +1 more source

Computational rational design of unspecific peroxygenase for C-H oxidation. [PDF]

Sci Adv
Gao R, Fu X, Li Z, Wang Z, Li G, Ge J, Hollmann F, Wang Z, Lou WY, Wu X.   +9 more
europepmc   +1 more source

Semantic Modeling in Materials Science and Engineering With Platform MaterialDigital Core Ontology 3.0

Advanced Engineering Materials, EarlyView.
The community‐driven Platform MaterialDigital Core Ontology (PMDco) 3.0 is introduced as a Basic Formal Ontology‐aligned semantic backbone for the processing–structure–properties paradigm in Materials Science and Engineering. Modular engineering, automated releases, and validation workflows are highlighted and key semantic patterns for materials ...
Markus Schilling, Philipp von Hartrott, Jörg Waitelonis, Thomas Hanke, Henk Birkholz, Hossein Beygi Nasrabadi, Khashayar Razghandi, Kamilla Zaripova, Felix Thonagel, Fabian Neuhaus, Martin Glauer, Lars Vogt, Harald Sack, Lutz Mädler, Bernd Bayerlein, Chris Eberl   +15 more
wiley   +1 more source

Computational modeling for rational design of novel phenoxy tacrine derivatives targeting Alzheimer's disease. [PDF]

PLoS One
El Fadili M, Er-Rajy M, Mujwar S, Samadi A, Chtita S, Elhallaoui M.   +5 more
europepmc   +1 more source

Model‐Guided Design of Paper Membrane Architectures for Controlled Flow and Enhanced Diagnostic Sensitivity

Advanced Engineering Materials, EarlyView.
Geometrical modifications on nitrocellulose membranes can result in observable differences in signal intensity relative to a reference membrane (top and bottom left). Using two reference experiments, we have developed a theoretical model that can reproduce the experimentally observed flow changes and provide information on membrane parameters, e.g ...
Maria Dimaki, Lea Holritz, Winnie E. Svendsen   +2 more
wiley   +1 more source

Rational design of k-casein peptides to modulate GSK-3B dynamics for Alzheimer's therapy. [PDF]

Sci Rep
Moghaddam N, Ramazani A, Zarei A.
europepmc   +1 more source

DNA‐Templated 2D Heterostructures as Phototriggered Dynamic Nanohybrids: From Releasing Molecular Loads to Controlling Enzyme Biocatalytic Function

Advanced Functional Materials, EarlyView.
DNA strands are employed both as dynamic linkers and nanoscale templates for the integration of Ag2S nanoparticles on MoS2, which in turn imparted photothermal responsiveness; this feature permits the selective cargo (fluorophore, quantum dots or an enzyme) release from the MoS2 surface in response to local heat induced by light irradiation.
Kai Chen, Haosen Miao, Weiying Hong, Matteo Palma   +3 more
wiley   +1 more source