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Polarization Upends Convention: Halogen Bonding Propensities of Main Group Halides.
J Phys Chem A
January 2025
Department of Chemistry, Gottwald Center for the Sciences, University of Richmond, Richmond, Virginia 23173, United States.
The propensities for sigma hole bonding by halogen atoms bonded to central atoms below period 2 in the periodic table remain to be systematically examined. Using iodine as our reference halogen atom, a comprehensive analysis of the tendencies for halogen and other forms of significant sigma hole bonding by simple compounds of main group atoms from H to At is accomplished. An examination of the structure and bonding of complexes formed by those iodine-substituted main group compounds and sigma donating bases (ammonia and trimethylamine) is performed to probe the viability of halogen bonding by heavy main group RM-I compounds in particular, given the historic focus on period 2.
View Article and Find Full Text PDFOptimal sandwich panel's core design for an enhanced impact resistance.
Heliyon
January 2025
Department of Industrial Engineering, College of Engineering, American University of Sharjah, P.O. Box 26666, Sharjah, United Arab Emirates.
Despite the extensive literature revealing various core structures that can enhance the impact resistance of composite panels, a comparative study illustrating the difference in performance of the various cores under same loading conditions is missing. The aim of this study is to determine the optimal core structure and design in terms of energy absorption under low-velocity impact using both numerical simulations and experimental testing for validation. Response surface analysis was used to design the experiments and analyse the panel's behaviour.
View Article and Find Full Text PDFEmotional Abuse to Delinquent Tendencies: Comparative Study on Juveniles and Students in Punjab, Pakistan.
Soa Chongsonyon Chongsin Uihak
January 2025
Rawalpindi Women University, Rawalpindi, Pakistan.
Objectives: This study aimed to explain the roles of physical and verbal aggression, emotional immaturity, and lying behavior in the predictive relationship between emotional abuse and delinquent tendencies among juveniles and students in Punjab, Pakistan.
Methods: Data were collected from 232 juveniles incarcerated in the Borstal Jails of Faisalabad and Bahawalpur. A comparative sample of 276 students from government schools was collected through purposive sampling.
Comparative analysis of C-Reactive protein levels among Non-comorbid, Comorbid, and Multimorbid Hospitalized COVID-19 patients.
BMC Infect Dis
January 2025
Department of Microbiology, Faculty of Biological Sciences, Quaid-i-Azam University, Islamabad, Pakistan.
Background: C-reactive protein (CRP) is one of the most commonly monitored inflammatory markers in patients with COVID-19 to gain insight into the inflammation level in the body and to adopt effective disease management and therapeutic strategies. COVID-19 is now less prevalent, and the study of CRP as a biomarker of inflammation still needs deeper understanding, particularly in understanding its role among patients with comorbidities, which are known to influence inflammatory responses and increase the risk of severe outcomes during acute and chronic infectious diseases. The objective of this study was to evaluate the association of major comorbidities such as ischemic heart diseases, diabetes, chronic kidney disease, hypertension, and lung infections e.
View Article and Find Full Text PDFWorkflow-driven catalytic modulation from single-atom catalysts to Au-alloy clusters on graphene.
Sci Rep
January 2025
Department of Chemistry, Federal University of Paraná, Curitiba, 81531-980, Brazil.
Gold-based (Au) nanostructures are efficient catalysts for CO oxidation, hydrogen evolution (HER), and oxygen evolution (OER) reactions, but stabilizing them on graphene (Gr) is challenging due to weak affinity from delocalized [Formula: see text] carbon orbitals. This study investigates forming metal alloys to enhance stability and catalytic performance of Au-based nanocatalysts. Using ab initio density functional theory, we characterize [Formula: see text] sub-nanoclusters (M = Ni, Pd, Pt, Cu, and Ag) with atomicities [Formula: see text], both in gas-phase and supported on Gr.
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