Results 141 to 150 of about 25,035 (199)

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

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, Akhil Pratap Singh, Pablo Campomanes, Stefano Vanni   +3 more
wiley   +1 more source

Phase-Rotated Altermagnets as Chern Valves for Topological Transport. [PDF]

Nano Lett
Caro C, Gámez F.
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, Diane C.A. Lima, Linda Sandblad, Madeleine Ramstedt, Thereza A. Soares, Stefan Salentinig   +5 more
wiley   +1 more source

A Complex Chromosome Rearrangement Disrupting <i>SYT1</i> Supports Haploinsufficiency as a Cause of Baker-Gordon Syndrome. [PDF]

Case Rep Genet
Bertola DR, Farias SO, da Costa SS, Pinheiro MMLS, Passos-Bueno MRDS, Rosenberg C, Krepischi ACV.   +6 more
europepmc   +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, Xuen J Ng, Lukas Lechel, Ashish Chand Rajwar, Hendrik Bargel, Abhishek A. Jalan   +5 more
wiley   +1 more source

Accelerated susceptibility-driven positive contrast MRI reconstruction based on primal-dual optimization with minimal parameter tuning. [PDF]

Quant Imaging Med Surg
Shi C, Cheng J, Lu N, Deng X, Wang Q.
europepmc   +1 more source

Inducing Ferromagnetism by Structural Engineering in a Strongly Spin‐Orbit Coupled Oxide

Advanced Functional Materials, EarlyView.
ABSTRACT Magnetic materials with strong spin‐orbit coupling (SOC) are essential for the advancement of spin‐orbitronic devices, as they enable efficient spin‐charge conversion, complex magnetic structures, spin‐valley physics, topological phases and other exotic phenomena.
Ji Soo Lim, Carmine Autieri, Merit Spring, Martin Kamp, Amar Fakhredine, Pavel Potapov, Daniel Wolf, Sergii Pylypenko, Axel Lubk, Johannes Schultz, Nicolas Perez, Börge Mehlhorn, Louis Veyrat, Mario Cuoco, Fadi Choueikan, Philippe Ohresser, Bernd Büchner, Giorgio Sangiovanni, Ralph Claessen, Michael Sing   +19 more
wiley   +1 more source

Inversion of Soil Parameters and Deformation Prediction for Deep Excavation Based on PSO-SVM Model. [PDF]

Sensors (Basel)
Zhao J, Chen L, Yang H, Li B, Yang L, Peng H, Cao H.   +6 more
europepmc   +1 more source

The Terminal Domains of Collagen‐Like Silk Direct Molecular Interactions and Liquid–Liquid Phase Separation‐Mediated Material Assembly

Advanced Functional Materials, EarlyView.
Terminal domains of recombinant collagen‐like silk regulate hierarchical self‐assembly across molecular and material scales. We show that terminal domains of collagen‐like silk enhance triple‐helix stability and drive liquid–liquid phase separation, enabling reversible formation of fibers and self‐healing films.
Mengjie Shen, Daniil Astapov, Nur Alia Oktaviani, Mami Goto, Keiji Numata, A. Sesilja Aranko   +5 more
wiley   +1 more source

Single spin exact gradients for the optimization of complex pulses and pulse sequences. [PDF]

J Biomol NMR
Slad S, Luy B.
europepmc   +1 more source