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Relativistic CASPT2/RASPT2 Program along with DIRAC Software.
J Chem Theory Comput
January 2025
Department of Chemistry, Graduate School of Advanced Science and Engineering, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima City, Hiroshima 739-8526, Japan.
Exploring electronic states in actinide compounds is a critical aspect of nuclear science. However, considering relativistic effects and electron correlation in theoretical calculations poses a complex challenge. To tackle this, we developed the CASPT2/RASPT2 program along with the DIRAC program, enabling calculations of electron correlation methods using multiconfigurational perturbation theory with various relativistic Hamiltonians.
View Article and Find Full Text PDFIron-histidine Coordination in Cytochrome b5: A Local Vibrational Mode Study.
Chemphyschem
January 2025
Southern Methodist University, Chemistry, 3251 Daniel Ave, 75275, Dallas, UNITED STATES.
We analyzed the intrinsic strength of distal and proximal FeN bonds and the stiffness of the axial NFeN bond angle in a series of cytochrome b5 proteins isolated from various species, including bacteria, animals, and humans. Ferric and ferrous oxidation states were considered. As assess- ment tool, we employed local vibrational stretching force constants ka(FeN) and bending force constants ka(NFeN) derived from our local mode theory.
View Article and Find Full Text PDFRising Rates of Urethral Bulking: A Retrospective Study of a National Database.
Urogynecology (Phila)
January 2025
From the Division of Urogynecology, Department of OB/GYN, Harbor-UCLA Medical Center, Torrance, CA.
Importance: Stress urinary incontinence (SUI) affects approximately 50% of women. There are limited data regarding trends in management as treatment options have changed.
Objective: This study aimed to analyze trends in the surgical management of SUI, including slings and urethral bulking, from 2012 to 2022.
Health, Well-Being, Gender, and Dignity in Nursing Care for Older Adults.
Nurs Philos
January 2025
Nursing Program, University of Sucre (Universidad de Sucre-Unisucre), Sincelejo, Colombia.
This article reflects on the concepts of health, well-being, gender, and dignity when providing nursing care to older adults, focusing on their wisdom and the phenomena that can affect their health or improve their quality of life. These concepts are analyzed based on the current health conditions of older adults and their needs, on the perspectives of authors in this field of research, and on Patricia Benner's philosophy: the integration of science, clinical wisdom, and ethics in nursing practice. Furthermore, this article aims at contributing to the health, well-being, gender, and dignity of older adults, despite the discrimination that they may face, as well as to the reality of nursing practice.
View Article and Find Full Text PDFChitosan research progress for smart packaging applications: a literature review.
J Food Sci Technol
February 2025
Department of Physics, Hasanuddin University, Makassar, 90245 Indonesia.
The environmental crisis was brought on by composites made of synthetic materials that are not biodegradable. Eco-friendly replacement materials for non-biodegradable composites is biodegradable composites. The poisonous remnants are avoided because of how the environment breaks them down.
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