Results 181 to 190 of about 8,826,528 (283)

NNP/CG-MM: Embedding of All-Atom Neural Network Potentials into a Coarse-Grained Molecular Mechanics Environment. [PDF]

J Chem Theory Comput
Ghosh K, Voth GA.
europepmc   +1 more source

DNA‐Templated 2D Heterostructures as Phototriggered Dynamic Nanohybrids: From Releasing Molecular Loads to Controlling Enzyme Biocatalytic Function

Advanced Functional Materials, EarlyView.
DNA strands are employed both as dynamic linkers and nanoscale templates for the integration of Ag2S nanoparticles on MoS2, which in turn imparted photothermal responsiveness; this feature permits the selective cargo (fluorophore, quantum dots or an enzyme) release from the MoS2 surface in response to local heat induced by light irradiation.
Kai Chen, Haosen Miao, Weiying Hong, Matteo Palma   +3 more
wiley   +1 more source

COMPLAX: A Python Tool Package for Automated Microsolvation of Organic Molecules. [PDF]

J Chem Inf Model
Lauria F, Maranzana A.
europepmc   +1 more source

From Food to Power: Hydrogel Thermoelectrics for Ingestible Electronics

Advanced Functional Materials, EarlyView.
We introduce a fully edible thermoelectric–electrochromic platform that harvests heat from food and converts it into a visible color change. N‐type and p‐type hydrogel thermoelectric generators connected in series power anthocyanin‐based electrochromic displays, demonstrating the feasibility of safe, biodegradable, ingestible systems for on‐food ...
Antonia Georgopoulou, Bokeon Kwak, Dario Floreano, Esther Amstad   +3 more
wiley   +1 more source

Towards a Composite Benchmark Method for the Aqueous Solvation Free Energies of Organic Compounds

Water is ubiquitous in the biosphere, and the difficulty of rigorously treating the effects of aqueous solvation currently limits the widespread use of computational methods in many areas of environmental chemistry.
Sadowsky, Daniel David
core  

The Electrosolvation Effect: The Medium Is the Message. [PDF]

Langmuir
Wang S, Behjatian A, Le A, Zhu X, Krishnan M.   +4 more
europepmc   +1 more source

Wearable Smart Patches on Sustainable Chitosan With Reversible Microbial Growth‐Inhibitory Properties

Advanced Functional Materials, EarlyView.
ABSTRACT Chitosan, a polysaccharide upcycled from biowaste, has long promised sustainable, biocompatible, and antimicrobial films and devices, an appeal reinforced by its recent regulatory recognition, with several chitosan‐based antibacterial dressings gaining clearance through the Food and Drug Administration's 510(k) pathway.
Jacopo Nicoletti, Kubra Kocak, Andrea Michel, Enrico Cavarzerani, Ali Raza, Petr Rohzin, Nouha Loudhaief, Saimir Frroku, Nicolò Baldovin, Hazrat Bilal, Alvise Perosa, Maurizio Selva, Flavio Rizzolio, Luca Sbuelz, Sabrina Tamburini, Domenico De Fazio, Giovanni Antonio Salvatore   +16 more
wiley   +1 more source

Regulated Ion‐Diffusion Hydrogels for Subtle and Multimodal Temperature‐Strain Sensing in Wound Monitoring

Advanced Functional Materials, EarlyView.
A soft, dual‐channel hydrogel patch enables simultaneous detection of wound temperature and strain by integrating ion‐diffusion‐mediated thermoelectric and resistive sensing. The conformal design maintains stable performance during motion, capturing subtle inflammatory and mechanical changes for continuous wound monitoring.
Yu Fang, Xinglong Pan, Zhiwei Li, Wanheng Lu, Chang Liu, Yi Zhou, Guo Tian, Ghim Wei Ho   +7 more
wiley   +1 more source

Decoding Stability and Selectivity in Unnatural DNA Base Pairs with Spatially Separated Recognition Interfaces. [PDF]

J Org Chem
Bermejo A, Bofill JM, Poater J.
europepmc   +1 more source

Bio‐Inspired Synthesis of Macroporous Single Crystal Particles as Scattering Agents

Advanced Functional Materials, EarlyView.
A general strategy is presented that delivers unique, single‐crystal microparticles that combine submicron macroporosity and uniform particle shapes. A bioinspired approach is used to occlude three distinct types of additives – polystyrene microspheres, polymer vesicles and amino acids – within calcite single crystals, and subsequent thermal annealing ...
Stephanie E. Foster, Gianni Jacucci, Ouassef Nahi, Thomas Kress, Zabeada Aslam, Stuart Micklethwaite, Alexander N. Kulak, Rik Drummond‐Brydson, Melinda J. Duer, Yi‐Yeoun Kim, Silvia Vignolini, Fiona C. Meldrum   +11 more
wiley   +1 more source