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http://dx.doi.org/10.1038/s41380-025-02987-1 | DOI Listing |
Phys Chem Chem Phys
September 2025
Department of Chemistry and Sustainable Technology, University of Eastern Finland, Joensuu Campus, Yliopistokatu 7, FI-80100, Joensuu, Finland.
Accurate thermodynamic calculations for aluminum alkyls require proper treatment of low-frequency vibrations poorly described by the harmonic approximation (HA). Here, we present a systematic investigation of hindered rotation and out-of-plane bending in aluminum trichloride (ATC) and its methyl derivatives, employing advanced computational methods to perform anharmonic entropy corrections, such as torsional eigenvalue summation (TES), the extended two-dimensional torsion method (E2DT), the multi-structural approximation with torsional anharmonicity (MS-T), and Fourier grid Hamiltonian (FGH). Our results reveal distinct structure-dependent behaviors: monomers exhibit near-free methyl rotations where the HA overestimates entropy by 20-30 J K mol, while dimers show more hindered rotations adequately described by the HA around room temperature.
View Article and Find Full Text PDFAnn Surg Oncol
September 2025
Department of HPB Surgery and Liver Transplant, Royal Free Hospital NHS Foundation Trust, London, UK.
Acta Psychol (Amst)
September 2025
Pampanga State University, Pampanga, Philippines. Electronic address:
This study investigated the effects of using the intelligent and non-intelligent versions of Ibigkas! Math-a mobile-based, computer-supported collaborative learning platform for Grade 5 mathematics on the mathematics performance of Grade 5 students. Out of 155 Grade 5 students from four universities, only 119 participated in the five consecutive-day experiment. Ethical approval was granted before data collection.
View Article and Find Full Text PDFAm J Cardiovasc Drugs
September 2025
1st Department of Medicine, University of Pécs, Medical School, Ifjúság St. 13, Pecs, 7624, Hungary.
J Endocrinol Invest
September 2025
Department of Endocrinology and Department of Health, Medicine and Caring Sciences, Linköping University, Linköping, Sweden.
Purpose: Patients with primary adrenal insufficiency (PAI) require mineralocorticoid replacement therapy in addition to glucocorticoids. These therapies should be considered in combination because most glucocorticoids also possess mineralocorticoid activity. We aimed to investigate the relationship between fludrocortisone and hydrocortisone-equivalent dosing in patients with PAI.
View Article and Find Full Text PDF