Correction for 'A continuum membrane model can predict curvature sensing by helix insertion' by Yiben Fu , , 2021, , 10649-10663, DOI: 10.1039/D1SM01333E.
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http://dx.doi.org/10.1039/d1sm90225c | DOI Listing |
J Chem Phys
December 2024
Department of Physics, Brooklyn College of the City University of New York, Brooklyn, New York 11210, USA.
We perform classical molecular dynamics (MD) and path-integral MD (PIMD) simulations of H2O and D2O using the q-TIP4P/F model over a wide range of temperatures and pressures to study the nuclear quantum effects (NQEs) on (i) the vitrification of liquid water upon isobaric cooling at different pressures and (ii) pressure-induced transformations at constant temperature between low-density amorphous and high-density amorphous ice (LDA and HDA) and hexagonal ice Ih and HDA. Upon isobaric cooling, classical and quantum H2O and D2O vitrify into a continuum of intermediate amorphous ices (IA), with densities in-between those of LDA and HDA (depending on pressure). Importantly, the density of the IA varies considerably if NQEs are included (similar conclusions hold for ice Ih at all pressures studied).
View Article and Find Full Text PDFJ Mol Model
December 2024
College of Chemistry and Material Science, Shandong Agricultural University, Taian, Shandong, 271018, People's Republic of China.
Context: Nickel-catalyzed hydroamination of dienes with phenylmethanamines was studied theoretically to investigate reaction mechanism. These calculated results revealed that Ni-catalyzed hydroamination began with the O - H bond activation of trifluoroethanol, including three important elementary steps: the ligand-to-ligand hydrogen migration, the nucleophilic attack of phenylmethanamine, and hydrogen migration. The nucleophilic attack of phenylmethanamine was the rate-determining step, and the branched product of 3,4-addition with (S)-chirality was the most dominant.
View Article and Find Full Text PDFEpidemiol Psychiatr Sci
December 2024
School of Nursing, Tianjin Medical University, Tianjin, China.
Aims: Investigate the prevalence of adverse childhood experience (ACE) and intimate partner violence (IPV) using a large representative Chinese sample, explore the association mechanism between ACE and adult exposure to IPV and to examine gender differences.
Methods: A total of 21,154 participants were included in this study. The ACE scale was used to assess participants' exposure to ACE before the age of 18.
J Acquir Immune Defic Syndr
January 2025
Warren Alpert School of Medicine, Brown University, Providence, RI.
Background: Pre-exposure prophylaxis (PrEP) is an effective approach to preventing HIV acquisition and recommended for populations over-represented in carceral systems, given the overlap with populations disproportionately impacted by HIV. However, few studies have focused on PrEP initiation outcomes in a carceral setting to maximize public health impact.
Setting: This study was conducted in a unified jail/prison system within the state of Rhode Island located in the United States.
J Med Toxicol
December 2024
, OneFifteen, 257 Hopeland Street, Dayton, OH 45417, USA.
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