Publications by authors named "F Lopez Bernal"
Strong adsorption of guanidinium cations to the air-water interface.
Proc Natl Acad Sci U S A
January 2025
Combining Deep-UV second harmonic generation spectroscopy with molecular simulations, we confirm and quantify the specific adsorption of guanidinium cations to the air-water interface. Using a Langmuir analysis of measurements at multiple concentrations, we extract the Gibbs free energy of adsorption, finding it larger than typical thermal energies. Molecular simulations clarify the role of polarizability in tuning the thermodynamics of adsorption, and establish the preferential parallel alignment of guanidinium at the air-water interface.
View Article and Find Full Text PDFArticle Synopsis
- The study aimed to create and validate a Kinect-based motion capture system to analyze gait patterns in individuals with shoulder injuries and compare it to a commercial motion capture system.
- The research involved ten participants with shoulder pain, examining their joint movements during walking while using both capture systems simultaneously.
- Results showed that the new Kinect system was mostly comparable to the commercial system, but significant differences were observed in knee flexion-extension and shoulder abduction-adduction, highlighting its potential for clinical use in a cost-effective manner.
The ozone oxidation, or ozonation, of thiosulfate is an important reaction for wastewater processing, where it is used for remediation of mining effluents, and for studying aerosol chemistry, where its fast reaction rate makes it an excellent model reaction. Although thiosulfate ozonation has been studied since the 1950s, challenges remain in developing a realistic reaction mechanism that can satisfactorily account for all observed products with a sequence of elementary reaction steps. Here, we present novel measurements using trapped microdroplets to study the pH-dependent thiosulfate ozonation kinetics.
View Article and Find Full Text PDFNitrobenzothiazinones (BTZs) are undergoing late-stage development as a novel class of potent antitubercular drug candidates with two compounds in clinical phases. BTZs inhibit decaprenylphosphoryl-β-d-ribose oxidase 1 (DprE1), a key enzyme in cell wall biosynthesis of mycobacteria. Their mechanism of action involves an in-situ-reduction of the nitro moiety to a reactive nitroso intermediate capable of covalent binding to Cys387 in the catalytic cavity.
View Article and Find Full Text PDFArticle Synopsis
- - The study aimed to harmonize Norwegian health registries onto the OMOP common data model, incorporating a wealth of real-world data into a format that can support research and emergency preparedness related to COVID-19.
- - Researchers successfully mapped 1.5 billion rows of health data from multiple registries, revealing detailed demographics and a significant number of COVID-19 cases, while ensuring most data quality checks passed with high accuracy.
- - The successful integration of this health data enhances the potential for collaborative research on COVID-19 and demonstrates a valuable methodology for similar health registries in the Nordic region.