Results 171 to 180 of about 12,450 (260)

Unraveling Charging and Discharging Processes in Organic Radical‐Based Electrodes: A Hierarchical Molecular and Quantum Mechanical Approach

open access: yesChemSusChem, Volume 19, Issue 6, 27 March 2026.
Charge transfer processes are investigated in p‐type organic electrode materials utilizing stable organic radicals incorporated in a conjugated backbone. Molecular dynamics simulations and time‐dependent density functional theory calculations allow us to evaluate charge transfer states as well as the underlying structure–property relationships. Organic
Clara Zens   +3 more
wiley   +1 more source

Mechanism and Molecular Design Principles of Cationic Surfactants: From Charge‐Driven Membrane Interactions to Next‐Generation Quaternary Ammonium Compounds

open access: yesChemMedChem, Volume 21, Issue 5, 13 March 2026.
Within this review we provide an overview of the social relevance of quaternary ammonium surfactants, different classes of these agents, their interaction mechanism with cellular membranes, structure activity relation, bacterial resistance toward these systems and new approaches to guarantee their long‐term efficiency.
Natalie Hanheiser   +3 more
wiley   +1 more source

Exploring the Therapeutic Potential of Cannabidiol in Cutaneous Squamous Cell Carcinoma: An Integrated Computational and Experimental Study

open access: yesInternational Journal of Quantum Chemistry, Volume 126, Issue 5, March 5, 2026.
Cannabidiol (CBD) exhibits increased reactivity, stronger CB1 receptor binding, and enhanced cytotoxicity against A431 squamous carcinoma cells compared to 5‐fluorouracil (5‐FU). Integrated DFT, molecular docking, and experimental analyses demonstrate CBD's improved stability and binding affinity, highlighting its potential as an alternative ...
Andrea Jess Josiah   +5 more
wiley   +1 more source

Multiple Twinning in Nacre and Aragonite

open access: yesAdvanced Functional Materials, Volume 36, Issue 20, 9 March 2026.
Electron backscatter diffraction map of a cluster of geologic aragonite, exhibiting single, double, and triple twins. The whole cluster is approximately 2 cm wide. Colors indicate crystal orientations, so that pixels where the a‐, b‐, and c‐axis is perpendicular to the image plane are green, red, and blue, respectively.
Connor A. Schmidt   +7 more
wiley   +1 more source

The Effect of Amino Acids on the Formation of Amorphous Calcium Carbonate Nanoparticles

open access: yesAdvanced Functional Materials, Volume 36, Issue 20, 9 March 2026.
Biomineral formation often proceeds via the assembly of amorphous calcium carbonate (ACC) nanoparticles with narrow size distributions. Using in situ SAXS coupled to a stopped‐flow device, we follow synthetic ACC formation with a 10 ms time resolution and show that amino acids narrow the size distribution at low supersaturation, highlighting their key ...
Lucas Kuhrts   +10 more
wiley   +1 more source

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