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Numerical analysis of sodium diffusion in aluminum electrolysis cathode carbon blocks based on a microstructure multi-factor corrected model.
PLoS One
January 2025
The Key Laboratory of Cyber-Physical Power System of Yunnan Universities, Yunnan Minzu University, Kunming, Yunnan Province, China.
Current researches on sodium penetration in electrolytic aluminum cathode carbon blocks primarily measure cathode expansion curves, showing mostly macroscopic characteristics. However, the microscopic structure is often underexplored. As a porous medium, the diffusion performance of cathode carbon blocks is closely tied to their internal pore structure.
View Article and Find Full Text PDFAerolysin Nanopore Electrochemistry.
Acc Chem Res
January 2025
Molecular Sensing and Imaging Center, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210023, China.
ConspectusIons are the crucial signaling components for living organisms. In cells, their transportation across pore-forming membrane proteins is vital for regulating physiological functions, such as generating ionic current signals in response to target molecule recognition. This ion transport is affected by confined interactions and local environments within the protein pore.
View Article and Find Full Text PDFAccelerated Endosomal Escape of Splice-Switching Oligonucleotides Enables Efficient Hepatic Splice Correction.
ACS Appl Mater Interfaces
January 2025
Faculty of Life Sciences, Department of Pharmaceutical Sciences, Laboratory of Macromolecular Cancer Therapeutics (MMCT), University of Vienna, Josef-Holaubek-Platz 2, 1090 Vienna, Austria.
Splice-switching oligonucleotides (SSOs) can restore protein functionality in pathologies and are promising tools for manipulating the RNA-splicing machinery. Delivery vectors can considerably improve SSO functionality in vivo and allow dose reduction, thereby addressing the challenges of RNA-targeted therapeutics. Here, we report a biocompatible SSO nanocarrier, based on redox-responsive disulfide cross-linked low-molecular-weight linear polyethylenimine (cLPEI), for overcoming multiple biological barriers from subcellular compartments to en-route serum stability and finally in vivo delivery challenges.
View Article and Find Full Text PDFProbing London Dispersion in Proton-Bound Onium Ions: Are Alkyl-Alkyl Steric Interactions Reliably Modeled?
J Am Chem Soc
January 2025
Laboratorium für Organische Chemie, Department of Chemistry and Applied Biosciences, ETH Zürich, Zürich 8093, Switzerland.
We report spectroscopic and spectrometric experiments that probe the London dispersion interaction between -butyl substituents in three series of covalently linked, protonated -pyridines in the gas phase. Molecular ions in the three test series, along with several reference molecules for control, were electrosprayed from solution into the gas phase and then probed by infrared multiphoton dissociation spectroscopy and trapped ion mobility spectrometry. The observed N-H stretching frequencies provided an experimental readout diagnostic of the ground-state geometry of each ion, which could be furthermore compared to a second, independent structural readout via the collision cross section.
View Article and Find Full Text PDFChemically Informed Deep Learning for Interpretable Radical Reaction Prediction.
J Chem Inf Model
January 2025
Department of Computer Science, University of California, Irvine, Irvine, California 92697, United States.
Organic radical reactions are crucial in many areas of chemistry, including synthetic, biological, and atmospheric chemistry. We develop a predictive framework based on the interaction of molecular orbitals that operates on mechanistic-level radical reactions. Given our chemistry-aware model, all predictions are provided with different levels of interpretability.
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