Results 211 to 220 of about 161,334 (315)

LibppRPA: An open-source library for particle-particle random phase approximation. [PDF]

J Chem Phys
Yu J, Li J, Zhang C, Zhu T, Yang W.
europepmc   +1 more source

Is It Real Type‐II or S‐Scheme? A Three‐Phase Diagnostic Protocol for Identifying Potentially Mislabeled Heterojunction Photocatalysts

Advanced Functional Materials, EarlyView.
Diagnostic analysis via the heterojunction validation funnel. The funnel illustrates the hierarchical stratification of 30 reported Type‐II systems based on the three‐phase, seven‐step diagnostic framework. Complete validation through all phases is achieved by only 3.3% of systems, while 96.7% lack full mechanistic validation, revealing a pervasive ...
Ki‐Hyun Kim
wiley   +1 more source

Correcting Delocalization Error in Materials with Localized Orbitals and Linear-Response Screening. [PDF]

Phys Rev B
Williams JZ, Yang W.
europepmc   +1 more source

Co‐Electrospinning Extracellular Matrix with Polycaprolactone Enables a Modular Approach to Balance Bioactivity and Mechanics of a Multifunctional Bone Wrap

Advanced Healthcare Materials, EarlyView.
The incorporation of nondigested ECM and synthetic polymers into a co‐electrospinning system enables the decoupling of bioactivity and mechanical properties within a single wrap. This technique is used to develop a multifunctional bone wrap that achieves augmented membrane durability, sustained infection control, and enhanced vascularity for use in ...
Sarah Jones, Madeline Laude, Zeenat Oyebanji, Ruchi Birur, Andres Luengo Martinez, Isabelle Gilbert, Phillip Baek, Nichole Longbottom, Nicole McCullough, Staci J. Horn, Chien‐Yu Lin, Matthew J. Lohr, Fred Clubb, Manuel K. Rausch, Elizabeth Cosgriff‐Hernandez   +14 more
wiley   +1 more source

The Dose Makes the Poison: Perturbative Steps toward the Ultimate Linearized Coupled Cluster Method. [PDF]

J Chem Theory Comput
Bintrim SJ, Ransford ER, Carter-Fenk K.
europepmc   +1 more source

Physicochemical Reinforcement Unlocks Sterilization‐Stable Anisotropic Hydrogels for Cell‐Compatible Mock Arteries

Advanced Healthcare Materials, EarlyView.
ABSTRACT In vitro arterial models offer ethical and robust alternatives for vascular research but require cytocompatible materials that replicate physiological mechanics. Poly(vinyl alcohol) (PVA) hydrogels produced by directional freezing and salting‐out (PVA DFSO) are anisotropic yet lack stability for cell culture. Herein, methacrylated PVA (PVA‐MA)
Javiera Sanhueza Ortega, Kirthen Shanmuganathan, Laura Poole‐Warren, Susann Beier, Ulises Aregueta Robles   +4 more
wiley   +1 more source

ASH: A Multi-Scale, Multi-Theory Modeling Program. [PDF]

J Comput Chem
Bjornsson R.
europepmc   +1 more source

Immunoinflammatory Mechanisms and Biocompatibility of Bioactive Dental Biomaterials: From Fundamental Insights to Clinical Translation

Advanced Healthcare Materials, EarlyView.
Surface‐host dialogue at the implant interface governs biological fate and osseointegration. Surface physicochemical properties of titanium (Ti) dental implants, including microgrooves, nanopatterns, nanotopography, roughness, and wettability, modulate the initial adsorption of proteins and the formation of a dynamic biointerface.
Daniela Moreira Cunha, Amanda Paino Santana, Marta Maria Alves Pereira, Mariana Martins Guerreiro, Jose Mauro Granjeiro, Jamil Awad Shibli, Jeroen J. J. P. van den Beucken, Anton Sculean, Rafael Scaf de Molon, Erica Dorigatti de Avila   +9 more
wiley   +1 more source

Probing DFT Functionals in the Analysis of Enthalpy and Gibbs Free Energy: A Case Study of a Heptakis(2,6-di-O-methyl)-β-cyclodextrin Complex with a Novel Fluorinated Compound. [PDF]

Molecules
Hoelm M, Kinart Z.
europepmc   +1 more source

Adaptable Covalent Organic Framework‐Hydrogel Microneedles for Glucose‐Responsive Isoliquiritigenin Delivery in Diabetic Wound Therapy

Advanced Healthcare Materials, EarlyView.
We develop a covalent organic framework‐loaded Traditional Chinese Medicine monomer nanodrug delivery system (ISL@bCOF) via boron‐oxygen bonds, a smart response to glucose for delivering AI‐driven isoliquiritigenin (ISL) targeting ZBP1. This dynamic release mechanism, combined with transdermal delivery technology via potent microneedles, can modulate ...
Menghan Zhou, Zongjie Hu, Xiuwen Li, Huaman Geng, Yang Liu, Yajie Wang, Yunshu Yang, Guangdong Zhou, Yujie Hua, Di Wang   +9 more
wiley   +1 more source