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Quantum chemical studies of carbon-based graphene-like nanostructures: from benzene to coronene.
J Mol Model
January 2025
Department of Chemistry, Federal Institute of Education, Science and Technology of Espírito Santo, Av. Min. Salgado Filho, Vila Velha, 29106-010, Espírito Santo, Brazil.
Context: This study presents quantum chemical analysis of 14 distinct carbon-based nanostructures (CBN), ranging from simple molecules, like benzene, to more complex structures, such as coronene, which serves as an exemplary graphene-like model. The investigation focuses on elucidating the relationships between molecular orbital (MO) energies, the energy band gaps, electron occupation numbers (eON), electronic conduction, and the compound topologies, seeking to find the one that approaches most of a graphene-like structure for in silico studies. Through detailed examination of molecular properties including chemical hardness and chemical potential, we demonstrate that the electronic exchange between orbitals is directly influenced by the structural topology of the carbon-based nanostructures, as the electron occupation numbers and the molecular orbital energies.
View Article and Find Full Text PDFEnvironment-wide association study of five per- and polyfluoroalkyl substance (PFASs) exposure pathways in Korean adolescents from the Korean National Environmental Health Survey (2018-2020).
Chemosphere
January 2025
Department of Preventive Medicine, College of Medicine, The Catholic University of Korea, Seoul, Republic of Korea; Environmental Health Center, College of Medicine, The Catholic University of Korea, Seoul, Republic of Korea. Electronic address:
Per- and polyfluoroalkyl substances (PFASs) are widely used in consumer products and are easily encountered in daily life. PFASs that accumulate in the human body can negatively affect adolescent health. This study aimed to identify key exposure pathways that influence serum PFAS levels in Korean adolescents, using data from the Korean National Environmental Health Survey (2018-2020) cycle 4.
View Article and Find Full Text PDFA Study on Quantification of the Effects of Heartfulness Meditation Intervention in Healthcare Professionals by Anchor-Based Method in Occupational Health Psychology.
Indian J Occup Environ Med
December 2024
Department of Psychiatry, Dr. M. K. Shah Medical College and Research Centre, SMS Hospital, Chandkheda, Ahmedabad, Gujarat, India.
Background: It's more important to measure the subjective perception of change after undergoing any behavioral or psychological intervention. Global rating of change method-anchor item-based is a method by which the change can be quantified and "minimum subjective perceived effect" (MSPE) can be calculated.
Aim: The current study was planned to quantify the effects of heartfulness meditation intervention in healthcare professionals by anchor-based method and compare the result with the pre-post-difference.
Driving into Diabetes: Risk Assessment among Interstate Truck Drivers in West Bengal.
Indian J Occup Environ Med
December 2024
Department of Preventive and Social Medicine, All India Institute of Hygiene and Public Health, Kolkata, West Bengal, India.
Diabetes mellitus has led to a huge increase in its number over recent decades. Due to their occupation, truck drivers are predisposed to higher risk of lifestyle disorders. Hence, this study intended to assess their risk of developing diabetes mellitus with respect to IDRS (Indian Diabetes Risk Score).
View Article and Find Full Text PDFDeterminants of Demoralization Syndrome and Social Support Among Patients with Breast Cancer: A Cross-Sectional Study.
J Multidiscip Healthc
January 2025
Department of Nursing, The Affiliated Hospital of Zunyi Medical University, Zunyi, 563000, People's Republic of China.
Objective: This study aimed to assess the determinants of demoralization syndrome among patients with breast cancer (BC) in the southwestern region of China.
Methods: This investigation constituted a single-center cross-sectional study in which 176 patients with BC were surveyed through a questionnaire covering the current status of demoralization syndrome and social support.
Results: Majority of patients with BC developed moderate-to-severe levels of demoralization.
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