Results 201 to 210 of about 291,728 (311)

Air‐Pressure–Actuated Vibroacoustic Metamaterial With Tunable Bandgap: Design, Modeling, and Characterization

Advanced Engineering Materials, EarlyView.
This article presents the design, modeling, and characterization of air‐pressure–actuated programmable vibroacoustic metamaterials (PVAMM). The study focuses on leveraging air pressure to dynamically tune resonance frequencies for effective noise attenuation.
William Kaal, Michael M. Becker, Sarah C. L. Fischer   +2 more
wiley   +1 more source

Insights on Regioselective Synthesis of Fused Thiazoles: Density Functional Theory Calculations, Local Reactivity Indices, and Molecular Electrostatic Potential Analysis. [PDF]

ChemistryOpen
Al-Hazmi GH, Al-Humaidi JY, Riyadh SM, Ahmed MSM, Zaki MEA, Alruwaili AH, Alanazi KA, Almutairi RH, Gomha SM.   +8 more
europepmc   +1 more source

Identification of Mg²⁺ ions next to nucleotides in cryo-EM maps using electrostatic potential maps. [PDF]

Acta Crystallogr D Struct Biol, 2021
Wang J, Natchiar SK, Moore PB, Klaholz BP.   +3 more
europepmc   +1 more source

Towards Defect Phase Diagrams: From Research Data Management to Automated Workflows

Advanced Engineering Materials, EarlyView.
A research data management infrastructure is presented for the systematic integration of heterogeneous experimental and simulation data required for defect phase diagrams. The approach combines openBIS with a companion application for large‐object storage, automated metadata extraction, provenance tracking and federated data access, thereby supporting ...
Khalil Rejiba, Sang‐Hyeok Lee, Christina Gasper, Martina Freund, Sandra Korte‐Kerzel, Ulrich Kerzel   +5 more
wiley   +1 more source

AI/ML-Driven DPP-4 Inhibitor Predictor (d4p_v1) for Enhanced Type 2 Diabetes Mellitus Management: Insights Into Chemical Space, Fingerprints, and Electrostatic Potential Maps. [PDF]

Arch Pharm (Weinheim)
Manhas A, Dutta R, Piotto S, Amin SA.
europepmc   +1 more source

Electrostatic Potential Field Effects on Amine Macrocyclizations within Yoctoliter Spaces: Supramolecular Electron Withdrawing/Donating Groups. [PDF]

J Phys Chem B, 2021
Yao W, Wang K, Ismaiel YA, Wang R, Cai X, Teeler M, Gibb BC.   +6 more
europepmc   +1 more source

Time‐Dependent Oxidation and Scale Evolution of a Wrought Co/Ni‐Based Superalloy

Advanced Engineering Materials, EarlyView.
This study shows how a new wrought Co/Ni‐based superalloy resists oxidation at 800 ∘$^\circ$C. The oxide scale changes from rough, fast‐growing spinel to a dense, protective chromia–alumina layer. Atom probe analysis reveals tiny refractory‐rich bubbles at the interface that mark the transition to long‐term, diffusion‐controlled protection ...
Cameron Crabb, Zachary T. Kloenne, Samuel R. Rogers, Chi Hang Dominik Kwok, Mark C. Hardy, Michele S. Conroy, David Dye   +6 more
wiley   +1 more source

Publisher Correction: The net electrostatic potential and hydration of ABCG2 affect substrate transport. [PDF]

Nat Commun
Gose T, Aitken HM, Wang Y, Lynch J, Rampersaud E, Fukuda Y, Wills M, Baril SA, Ford RC, Shelat A, O'Mara ML, Schuetz JD.   +11 more
europepmc   +1 more source

Symbolic Regression and Multi‐Objective Optimization of the Flory–Huggins Interaction Parameter for Hydrogels

Advanced Engineering Materials, EarlyView.
We develop a data‐driven method to derive the mathematical expressions of the Flory–Huggins interaction parameter χ for the swelling behavior of temperature–responsive hydrogels. Starting from initial assumptions of χ, our workflow combines Bayesian optimization, Flory–Rehner theory, and symbolic regression to generate candidate χ expressions.
Yawen Wang, Adrian Ehrenhofer, Thomas Wallmersperger   +2 more
wiley   +1 more source

Description of changes in chemical bonding along the pathways of chemical reactions by deformation of the molecular electrostatic potential. [PDF]

J Mol Model
Żurowska O, Michalak A.
europepmc   +1 more source