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
Building centaur responders: is emergency management ready for artificial intelligence? [PDF]
DisastersWhyte C, Haupt B'.
europepmc +1 more source
LL‐37 Driven Phase Transition and Stacking in Oligolamellar Gram‐Negative Bacterial Membrane Models
Advanced Functional Materials, EarlyView.This work establishes oligolamellar bacterial membrane models to investigate how LL‐37 disrupts the complex dual‐bilayer architecture of Gram‐negative bacteria. Combining SAXS, cryo‐TEM, electrophoretic mobility measurements, and coarse‐grained simulations, it reveals cardiolipin‐driven phase transitions leading to bicelle‐like structures and membrane ...
Bettina Tran +5 more
wiley +1 more source
Could non-humans have Traditional Ecological Knowledge? And if so, what should we do about it? [PDF]
J Ethnobiol EthnomedFreymann E, Schultz F, Redfearn D.
europepmc +1 more source
Metachromatic Butterfly Bile Pigments for Multi‐Level Optical Security Films
Advanced Functional Materials, EarlyView.Bio‐derived optical security materials are manufactured by embedding butterfly‐based pigments in polymer films. Tunable color and fluorescence responses arise from concentration‐controlled metachromasy, enabling spatially encoded patterns with distinct visible, UV‐active, and spectral signatures.
Limin Wang, Bodo D. Wilts
wiley +1 more source
Competition in human genetic technologies: The current US legal landscape. [PDF]
Am J Hum GenetRashid AI +3 more
europepmc +1 more source
Regional development and vocational training. Development of human resources in regions of economic reconversion benefiting from Community financial support [PDF]
, 1987 Gizard, X., Josephe, A.
core
Balancing Electrons to Break the Activity‐Selectivity Trade‐Off in H2O2 Electrosynthesis
Advanced Functional Materials, EarlyView.Carrier‐concentration balancing in CuS is achieved by coupling cobalt dopants with cobalt vacancies, converting CuS from p‐ to n‐type to accelerate 2e− ORR while withdrawing excess carriers to optimize *OOH binding for H2O2 desorption. The catalyst reaches 8.14 mol g−1 h−1 with >84% selectivity in 1.0 M KOH and drives robust electro‐Fenton dye ...
Hangning Liu +11 more
wiley +1 more source
Human and financial consequences of herding in oncology drug development: clinical trials of TIGIT inhibitors. [PDF]
BMJ OncolZhang ES, Osipenko L, Hickman JA.
europepmc +1 more source