Advanced Functional Materials, EarlyView.We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu +3 more
wiley +1 more source
Tele-Rehabilitation and Tele-Diagnostics in Shoulder Disorders: Current Evidence, Challenges, and Future Directions-A Narrative Review. [PDF]
J Clin MedTodorović P +4 more
europepmc +1 more source
Efficient Randomized Algorithms for the Fixed-Precision Low-Rank Matrix Approximation
SIAM Journal on Matrix Analysis and Applications, 2016 Wenjian Yu, Yu Gu, Yaohang Li
semanticscholar +1 more source
Amyloidogenic Peptide Fragments Designed From Bacterial Collagen‐like Proteins Form Hydrogel
Advanced Functional Materials, EarlyView.This study identified amyloidogenic sequence motifs in bacterial collagen‐like proteins and exploited these to design peptides that self‐assemble into β‐sheet fibers and form hydrogels. One hydrogel supported healthy fibroblast growth, showing promise for biocompatible materials. Our work demonstrates that bacterial sequences can be harnessed to create
Vamika Sagar +5 more
wiley +1 more source
Clinical performance of machine-learning algorithms to predict intraoperative hypotension: a meta-analysis. [PDF]
BMC SurgFaraji M +10 more
europepmc +1 more source
Single‐ and Dual‐Atom Configurations in Atomically Dispersed Catalysts for Lithium–Sulfur Batteries
Advanced Functional Materials, EarlyView.Single‐atom and dual‐atom‐based atomically dispersed catalysts (ADCs) effectively address the shuttle effect and sluggish redox kinetics in Li–S batteries. With nearly 100% atomic utilization and tunable coordination environments, ADCs enhance LiPSs adsorption, lower conversion barriers, and accelerate sulfur redox reactions.
Haoyang Xu +4 more
wiley +1 more source
Artificial intelligence in early heart failure detection: from algorithms to bedside integration. [PDF]
Front Cardiovasc MedZavaleta-Monestel E +2 more
europepmc +1 more source
Advanced Functional Materials, EarlyView.A large number of MoS2 flakes were screened to obtain high‐quality flakes based on optical intensities in R, G, and B channel images. The flakes were classified from Level 1 to 6 based on optical intensities in the R, G, and B channel images. Low‐quality flake exhibited wrinkled, folded, or overlapped features, while high‐quality displayed a neat ...
Sanghyun Lee +11 more
wiley +1 more source
Implementation of Machine Learning in Heart Failure Trials. [PDF]
Curr Heart Fail RepRomano LR, Odorico MS, Curcio A.
europepmc +1 more source
Algorithmic Design of Disordered Networks With Arbitrary Coordination: Application to Biophotonics
Advanced Functional Materials, EarlyView.Predictive Design of Disordered Networks: Disordered network‐like morphologies are abundant in nature, from cytoskeletal networks to bone structures and chalcogenide glasses. These structures are naturally hard to characterize. A new algorithmic tool extends the established Wooten–Weaire–Winer (WWW) algorithm to valencies above 4.
Florin Hemmann +3 more
wiley +1 more source