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Can We Ever Develop an Ideal RNA Force Field? Lessons Learned from Simulations of the UUCG RNA Tetraloop and Other Systems.
J Chem Theory Comput
January 2025
Institute of Biophysics of the Czech Academy of Sciences, Královopolská 135, 612 00 Brno, Czech Republic.
Molecular dynamics (MD) simulations are an important and well-established tool for investigating RNA structural dynamics, but their accuracy relies heavily on the quality of the employed force field (). In this work, we present a comprehensive evaluation of widely used pair-additive and polarizable RNA s using the challenging UUCG tetraloop (TL) benchmark system. Extensive standard MD simulations, initiated from the NMR structure of the 14-mer UUCG TL, revealed that most s did not maintain the native state, instead favoring alternative loop conformations.
View Article and Find Full Text PDFDefecation after magnesium supplementation enhances cognitive performance in triathletes.
Sports Med Health Sci
March 2025
Laboratory of Exercise Biochemistry, University of Taipei, Taipei City, Taiwan, China.
Constipation is correlated with diminished cognitive function, revealing a possible rectum-brain connection. In this counter-balanced crossover trial, 13 elite triathletes underwent a Stroop test to assess cognitive function and executive control. The Stroop test was conducted both with and without magnesium oxide intake, with a 1-week washout period between sessions.
View Article and Find Full Text PDFImpact of cefixime and probiotics on functional abdominal bloating: a pilot study.
Prz Gastroenterol
December 2024
Department of Tropical Medicine, Faculty of Medicine, Zagazig University, Zagazig, Egypt.
Introduction: Abdominal bloating is a prevalent condition that affects up to 30% of the population.
Aim: Investigate the impact of cefixime and probiotics on the bloating sensation among patients with functional abdominal bloating (FAB).
Material And Methods: Out of 763 patients with bloating, 122 patients were diagnosed with FAB.
Assessment of using transfer learning with different classifiers in hypodontia diagnosis.
BMC Oral Health
January 2025
Pediatric Dentistry Department, Faculty of Dentistry, Başkent University, 06490, Ankara, Turkey.
Background: Hypodontia is the absence of one or more teeth in the primary or permanent dentition during development, and radiographic imaging is the most common method of diagnosis. However, in recent years, artificial intelligence-based decision support systems have been employed to make highly accurate diagnoses. The aim of this study was to classify single premolar agenesis, multiple premolar agenesis, and without tooth agenesis using various artificial intelligence approaches.
View Article and Find Full Text PDFRecruitment of Adolescents to Virtual Clinical Trials: Recruitment Results From the Health4Me Randomized Controlled Trial.
JMIR Pediatr Parent
December 2024
see Acknowledgments.
Background: Preventive interventions are needed to provide targeted health support to adolescents to improve health behaviors. Engaging adolescents in preventive interventions remains a challenge, highlighting the need for innovative recruitment strategies. Given adolescents' lives are intertwined with digital technologies, attention should be focused on these avenues for recruitment.
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