Double-core-hole (DCH) spectra have been investigated for pyrimidine, purine, the RNA/DNA nucleobases, and formamide, using the density functional theory (DFT) method. DCH spectra of formamide were also examined by the complete-active-space self-consistent-field (CASSCF) method. All possible single- and two-site DCH (ssDCH and tsDCH) states of the nucleobases were calculated. The generalized relaxation energy and interatomic generalized relaxation energy were evaluated from the energy differences between ssDCH and single-core-hole (SCH) states and between tsDCH and SCH states, respectively. The generalized relaxation energy is correlated to natural bond orbital charge, whereas the interatomic generalized relaxation energy is correlated to the interatomic distance between the core holes at two sites. The present analysis using DCH spectroscopy demonstrates that the method is useful for the chemical analysis of large molecular systems.
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http://dx.doi.org/10.1021/jp205923m | DOI Listing |
Aust Crit Care
December 2024
Department of Music, Canadian Centre for Ethnomusicology (CCE), Department of Performing Arts, Faculty of Communication and Media Studies, University for Development Studies, Ghana; Department of Music, Faculty of Arts, University of Alberta, 3-98 Fine Arts Building, Edmonton, AB, T6G 2C9, Canada. Electronic address:
Background: Despite syntheses of evidence showing efficacy of music intervention for improving psychological and physiological outcomes in critically ill patients, interventions that include nonmusic sounds have not been addressed in reviews of evidence. It is unclear if nonmusic sounds in the intensive care unit (ICU) can confer benefits similar to those of music.
Objective: The aim of this study was to summarise and contrast available evidence on the effect of music and nonmusic sound interventions for the physiological and psychological outcomes of ICU patients based on the results of randomised controlled trials.
Int J Surg Case Rep
December 2024
Department of Pediatric Surgery, Tribhuvan University Teaching Hospital, Kathmandu, Nepal.
Introduction: Achalasia, a rare esophageal disorder with an annual incidence of 0.11 per 100,000 in children, is characterized by impaired lower esophageal sphincter (LES) relaxation and peristalsis. Infantile cases are extremely uncommon and often linked to genetic conditions like Allgrove and Down syndrome.
View Article and Find Full Text PDFBMC Public Health
December 2024
Research Division, Institute of Mental Health, 10 Buangkok View, Buangkok Green, Medical Park, Singapore, 7539747, Singapore.
Background: Globally, the Coronavirus disease 2019 (COVID-19) pandemic had a significant impact on mental health. Sudden lifestyle changes, threatening information received through various sources, fear of infection and other stressors led to sleep disturbances such as insomnia. The current study aimed to assess the prevalence of insomnia and its associated risk factors during the first wave of COVID-19 pandemic among Singapore residents.
View Article and Find Full Text PDFSci Rep
December 2024
Wireless@VT, Bradley Department of Electrical and Computer Engineering, Virginia Tech, Blacksburg, 24061, VA, USA.
Owing to the ability of reconfigurable intelligent surfaces (RISs) to control the propagation environment in their vicinity, they have emerged as an appealing solution to enhance the performance of next-generation wireless networks. While the effectiveness of RISs with complete channel state information (CSI) is well-documented, their performance with limited user information remains less explored. This is particularly pronounced when an RIS interferes with nodes in a potentially non-cooperating network, making CSI acquisition challenging.
View Article and Find Full Text PDFBurns
December 2024
Department of Anesthesiology, Shanghai General Hospital, Shanghai Jiaotong University, School of Medicine, Shanghai, China. Electronic address:
Aims: This study aimed to investigate whether the histone deacetylase HDAC4 inhibitor, trichostatin A (TSA), could reverse resistance to non-depolarizing muscle relaxants (NDMRs) caused by burn injuries.
Materials And Methods: A rat burn injury model was established, in which TSA was administered to inhibit HDAC4 expression. The potency of rocuronium was assessed through tension tests, and the levels of HDAC4 and myogenin proteins were determined using Western blot.
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