Near edge x-ray absorption spectra at the Na K edge in aqueous NaCl electrolytes are presented as a function of concentration. The spectra are modeled by electronic structure calculations. We find and identify the orbital origin of two spectral fingerprints with sensitivity to the Na+-H2O distance and the Na+-Cl- distance in the electrolyte. Interionic interaction is found to be crucial for the description of the electrolytes at high concentrations.
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http://dx.doi.org/10.1063/1.2176616 | DOI Listing |
ACS Appl Mater Interfaces
January 2025
Institute of Semiconductors, Chinese Academy of Sciences, Beijing 100083, People's Republic of China.
J Adolesc Health
January 2025
Department of Pediatrics, Child and Adolescent Gender Center, University of California San Francisco, San Francisco, California; Department of Pediatrics, UCSF Benioff Children's Hospital, San Francisco, California.
Purpose: Limited data exist about the emotional health of transgender youth, either before or after initiation of gender-affirming hormone (GAH). The objectives were: (1) Investigate and verify the factor structure of the National Institutes of Health Toolbox Emotional Battery (NIHTB-EB) among trans and non-binary (TNB) youth; (2) Examine changes in emotional health over 24 months of GAH treatment; and (3) Examine the extent to which changes in emotional health were associated with improved appearance congruence (AC).
Methods: Study respondents were from Trans Youth Care - United States (TYCUS) study, an observational, prospective, longitudinal study of adolescents initiating GAH enrolled between 2016 and 2019.
The objective of this systematic literature review was to investigate the effect of Coca-Cola on the properties and, more generally, on the integrity of direct dental filling materials. In addition, it aimed to highlight the importance of dietary behaviour in dentistry and, in this context, to identify tangible strategies for action in routine clinical practice. An electronic search was conducted between January 2022 and July 2024.
View Article and Find Full Text PDFBiophys J
January 2025
Department of Physics and Astronomy, Department of Chemistry, NSF-Simons Center for Multiscale Cell Fate Research, University of California, Irvine, California, USA. Electronic address:
In this work we present a minimal structure-based model of protein diffusional search along local DNA amid protein binding and unbinding events on the DNA, taking into account protein-DNA electrostatic interactions and hydrogen-bonding (HB) interactions or contacts at the interface. We accordingly constructed the protein diffusion-association/dissociation free energy surface and mapped it to 1D as the protein slides along DNA, maintaining the protein-DNA interfacial HB contacts that presumably dictate the DNA sequence information detection. Upon DNA helical path correction, the protein 1D diffusion rates along local DNA can be physically derived to be consistent with experimental measurements.
View Article and Find Full Text PDFISA Trans
January 2025
Department of Electrical and Computer Engineering, National University of Singapore, 117538, Singapore. Electronic address:
For tolerant containment control of multi-agent systems, considering the challenges in modeling and the impact of actuator faults on system security and reliability, a finite index dynamic event-triggered policy iteration algorithm is proposed. This algorithm only requires input and output data, without relying on system models, and simultaneously considers the faults and energy consumption issues to improve the system reliability and save energy consumption. The conditions are provided to demonstrate the convergence and optimality of the algorithm, including a convergence speed, that is, the number of iterations required for convergence is finite.
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