A5103052783- Electrochemical Analysis and Applications
- Spectroscopy and Quantum Chemical Studies
- Nanopore and Nanochannel Transport Studies
- Chemical Synthesis and Characterization
- Cardiomyopathy and Myosin Studies
- Zeolite Catalysis and Synthesis
- Ion-surface interactions and analysis
- Cardiovascular Function and Risk Factors
- Analytical Chemistry and Sensors
- Mesoporous Materials and Catalysis
University of Arizona
2024
Sandia National Laboratories
2023-2024
Organic acids are prevalent in the environment and their acidity corresponding dissociation constants can change under varying environmental conditions. The impact of nanoconfinement (when confined within nanometer-scale domains) on physicochemical properties chemical species is poorly understood an emerging field study. By combining infrared Raman spectroscopies with molecular dynamics (MD) simulations, we quantified effect silica nanopores one fundamental reactions-the organic acids. pKa...
Dielectric effects and the coupled electrostatics between nanoconfined internal/external aqueous media contribute to observed deviations of chemistry within environment when compared with unconfined systems. A systematic understanding has remained elusive, especially respect background salt concentration boundary condition like nanopore surface reference state used calculate free energies. We utilize molecular dynamics simulations along thermodynamic integration determine energy difference...
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BACKGROUND: Impaired left ventricular relaxation, high filling pressures, and dysregulation of Ca 2+ homeostasis are common findings contributing to diastolic dysfunction in hypertrophic cardiomyopathy (HCM). Studies have shown that impaired relaxation is an early observation the sarcomere-gene-positive preclinical HCM cohort, which suggests potential involvement myofilament regulators relaxation. A molecular-level understanding mechanism(s) at level lacking. We hypothesized...