Results 171 to 180 of about 27,155 (225)

Artificial Intelligence for Multiscale Modeling in Solid‐State Physics and Chemistry: A Comprehensive Review

Advanced Intelligent Systems, EarlyView.
This review explores the transformative impact of artificial intelligence on multiscale modeling in materials research. It highlights advancements such as machine learning force fields and graph neural networks, which enhance predictive capabilities while reducing computational costs in various applications.
Artem Maevskiy, Vitalii Kapitan, Andrey Ustyuzhanin   +2 more
wiley   +1 more source

Steering the Shape‐shifting of Bullvalene‐PdII Complexes Through Steric and Geometric Strain

Angewandte Chemie, EarlyView.
This study explores the use of bis‐pyridyl substituted bullvalenes as dynamic shape‐shifting ligands within cis‐capped PdII complexes. The ring position of the pyridyl nitrogen is critical, leading to a range of Pd2L2 metallacycles and simple PdL complexes, each with distinctive bullvalene isomer preferences (represented in the figure by A‐D isomer ...
André P. Birvé, Witold M. Bloch, Thomas Fallon   +2 more
wiley   +2 more sources

Topological mechanical metamaterial for robust and ductile one-way fracturing. [PDF]

Nat Commun
Wang X, Sarkar S, Gonella S, Mao X.
europepmc   +1 more source

Deep Learning Methods for Assessing Time‐Variant Nonlinear Signatures in Clutter Echoes

Advanced Intelligent Systems, EarlyView.
Motion classification from biosonar echoes in clutter presents a fundamental challenge: extracting structured information from stochastic interference. Deep learning successfully discriminates object speed and direction from bat‐inspired signals, achieving 97% accuracy with frequency‐modulated calls but only 48% with constant‐frequency tones. This work
Ibrahim Eshera, Gaurav Duggal, Rolf Müller   +2 more
wiley   +1 more source

Modular Assembly of Dynamic Polymer Networks From Heteroaffinity Cross‐Links to Multivalent Proteins

Angewandte Chemie, EarlyView.
This study develops a method to modularly assemble oligomeric binding proteins, like streptavidin, using heterobifunctional cross‐linkers that have both a strong‐ and a weak‐affinity binding moiety. These dynamic cross‐linkers enable the assembly of polymer networks with unique meta‐stable nonequilibrium topologies, and that exhibit chemically tunable ...
Tianyue Dai, Yuntao Qiu, Katherine M. Leon Hernandez, Wesley Chan, Katrina Mejia, Natalia Nemeria, Colin D. Kinz‐Thompson   +6 more
wiley   +2 more sources

Emergent topological semimetal from quantum criticality. [PDF]

Nat Phys
Kirschbaum DM, Chen L, Zocco DA, Hu H, Mazza F, Karlich M, Lužnik M, Nguyen DH, Larrea Jiménez J, Strydom AM, Adroja D, Yan X, Prokofiev A, Si Q, Paschen S.   +14 more
europepmc   +1 more source

Quantitative proteomics identifies clusterin as a novel biomarker for atherosclerosis

Animal Models and Experimental Medicine, EarlyView.
This schematic illustrates the proposed mechanism. In advanced atherosclerotic lesions, upregulated CLU on the cell surface activates low‐density lipoprotein (LDL) receptor‐related protein 1 (LRP1). This interaction triggers the phosphorylation and activation of AKT.
Dengfeng Ding, Yingjie Zhang, Li Zhang, Xinou Zheng, Miaomiao Niu, Yunxiao Jia, Xuezhuang Li, Hua Chen, Chao Guo, Tao Jiang, Yuqiong Zhao   +10 more
wiley   +1 more source

Trapping a Metastable Node in an Amorphous Metal–Organic Framework

Angewandte Chemie, EarlyView.
Frustrated assembly in an amorphous Fe‐BDC framework is shown to trap a distorted, metastable Fe3O node as the dominant local motif. X‐ray PDF analysis and DFT calculations reveal that rapid network percolation outpaces node relaxation, locking in a high‐energy puckered geometry.
Adam F. Sapnik, Emma H. Wolpert, Jens Edelvang‐Pejrup, Nanna L. Baun, Heloisa N. Bordallo, Kirsten M. Ø. Jensen   +5 more
wiley   +2 more sources

Classifying schizophrenia subtypes via resting-state EEG complexity networks. [PDF]

Sci Rep
Zou J, Qi H, Yang C, Fan C, Dong Y.
europepmc   +1 more source

Disrupted gray matter structural covariance networks in chronic insomnia disorder. [PDF]

Front Psychiatry
Li Z, Shen Y, Liu J, Zou Z, Wu X, Gu Y, Gao H, Zhang M, Liu A, Qiao Q, Jia S, Lin X, Du Y, Zhou Y, Sun Y, Wang L, Yan F, Dou S, Li H, Tong L, Lv X, Li Y.   +21 more
europepmc   +1 more source