A model nucleophilic-displacement reaction coordinate at pentacoordinate silicon is demonstrated by neutral and ionic dissociation equilibria through a stable hexacoordinate complex.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1039/b404157g | DOI Listing |
Membranes (Basel)
December 2024
Institute of Physics, Opole University, Oleska 48, 45-052 Opole, Poland.
This article investigates the influence of dopant molecules on the structural and dynamic properties of lipid bilayers in liposomes, with a focus on the effects of dopant concentration, size, and introduced electric charge. Experimental studies were performed using electron paramagnetic resonance (EPR) spectroscopy with spin probes, complemented by Monte Carlo simulations. Liposomes, formed via lecithin sonication, were doped with compounds of varying concentrations and analyzed using EPR spectroscopy to assess changes in membrane rigidity.
View Article and Find Full Text PDFJ Phys Chem B
December 2024
Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR 6303 CNRS-Université de Bourgogne, 21078 Dijon Cedex, France.
Biological peptides have emerged as promising candidates for data storage applications due to their versatility and programmability. Recent advances in peptide synthesis and sequencing technologies have enabled the development of peptide-based data storage systems for realizing novel information storage technologies with enhanced capacity, durability, and data access speeds. In this study, we performed coarse-grained peptide sequencing of 12 distinct sequences through single-layer MoS solid-state nanopores (SSNs) using molecular dynamics (MD).
View Article and Find Full Text PDFPhys Rev Lett
December 2024
Dipartimento di Fisica, Università di Trieste, Strada Costiera 11, I-34151 Trieste, Italy.
Atom-ion hybrid systems are promising platforms for the quantum simulation of polaron physics in certain quantum materials. Here, we investigate the ionic Fermi polaron, a charged impurity in a polarized Fermi bath, at zero temperature using quantum Monte Carlo techniques. We compute the energy spectrum, residue, effective mass, and structural properties.
View Article and Find Full Text PDFSmall
December 2024
LiB Materials Research Group, Research Institute of Industrial Technology and Science (RIST), POSCO Global R and D Center, Sondohwahak-ro 100, Yeonsu-gu, Incheon, 21985, Republic of Korea.
The demand for all-solid-state batteries (ASSBs) featuring credible LiPSCl argyrodite (LPSCl) electrolytes is increasing, driving interest in exploring suitable current collectors for ASSBs. Copper (Cu), used as a current collector in traditional lithium-ion batteries, exhibits significant instability in LPSCl-ASSBs. In this study, the effectiveness of iron (Fe) is systematically investigated as an alternative current collector in LPSCl-ASSBs and compare its performance to that of Cu.
View Article and Find Full Text PDFACS Appl Polym Mater
December 2024
School of Polymer Science and Engineering, The University of Southern Mississippi, Hattiesburg, Mississippi 39406, United States.
Anthropogenic activities have resulted in enormous increases in atmospheric CO concentrations particularly since the onset of the Industrial Revolution, which have potential links with increased global temperatures, rising sea levels, increased prevalence, and severity of natural disasters, among other consequences. To enable a carbon-neutral and sustainable society, various technologies have been developed for CO capture from industrial process streams as well as directly from air. Here, direct air capture (DAC) represents an essential need for reducing CO concentration in the atmosphere to mitigate the negative consequences of greenhouse effects, involving systems that can reversibly adsorb and release CO, in which polymers have played an integral role.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!