A new method for the precise semiempirical determination of the basic parameters (structural parameters and parameters of the intramolecular potential energy surface, PES) of a molecule on the basis of highly accurate experimental data from the microwave and submillimeter-wave regions is suggested. The options and advantages of this method in comparison with the other methods of molecular PES determination are discussed using a diatomic molecule as an appropriate illustration. The HCl molecule is exploited as a suitable example. It is shown with this example that the use of a very limited number (ten for HCl and five for DCl) of submillimeter-wave line positions allows one to determine the values of the equilibrium rotational parameter, harmonic frequency, and anharmonic coefficients of the third, fourth, and fifth order with accuracy of 0.01%, 0.01%, 0.01%, 2.1%, and 10.1%, respectively, in comparison with the analogous results obtained from extensive infrared studies.
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http://dx.doi.org/10.3390/ijms26020658 | DOI Listing |
Int J Med Inform
January 2025
Rheumatology and Allergy Clinical Epidemiology Research Center and Division of Rheumatology, Allergy, and Immunology, and Mongan Institute, Department of Medicine, Massachusetts General Hospital Boston MA USA. Electronic address:
Background: ANCA-associated vasculitis (AAV) is a rare but serious disease. Traditional case-identification methods using claims data can be time-intensive and may miss important subgroups. We hypothesized that a deep learning model analyzing electronic health records (EHR) can more accurately identify AAV cases.
View Article and Find Full Text PDFNicotine Tob Res
January 2025
Institute for Nicotine and Tobacco Studies, Rutgers Health, New Brunswick, NJ, USA.
Introduction: Accurate measurement is critical for understanding the population health impact of nicotine pouches, yet precise, standardized measures of nicotine pouch use are lacking, possibly driving disparate prevalence estimates across studies. We implemented a split sample survey experiment to assess the impact of including a product image when asking about nicotine pouches.
Methods: We randomized an online sample of US adults ages 18-45 (N=2,130) recruited through the February 2023 wave of the Rutgers Omnibus Study to view either a text-only or text-plus-image description of oral nicotine pouches before being asked about awareness of the products.
BMC Health Serv Res
January 2025
School of Humanities and Social Sciences, Beihang University, No. 37 Xueyuan Road, Beijing, 100191, China.
Background: To address the health inequity caused by decentralized management, China has introduced a provincial pooling system for urban employees' basic medical insurance. This paper proposes a research framework to evaluate similar policies in different contexts. This paper adopts a mixed-methods approach to more comprehensively and precisely capture the causal effects of the policy.
View Article and Find Full Text PDFBMC Cancer
January 2025
Department of Radiation Oncology, First Affiliated Hospital of Kunming Medical University, 295 Xichang Road, Kunming, 650032, P. R. China.
Introduction: The core objective of this study was to precisely locate metastatic lymph nodes, identify potential areas in nasopharyngeal carcinoma patients that may not require radiotherapy, and propose a hypothesis for reduced target volume radiotherapy on the basis of these findings. Ultimately, we reassessed the differences in dosimetry of organs at risk (OARs) between reduced target volume (reduced CTV2) radiotherapy and standard radiotherapy.
Methods And Materials: A total of 209 patients participated in the study.
BMC Musculoskelet Disord
January 2025
Department of Orthopedics, Peking University Third Hospital, No. 49. North Garden Street, Hai Dian District, Beijing, 100191, People's Republic of China.
Background: For degenerative lumbar scoliosis (DLS), prior studies mainly focused on the preoperative relationship between spinopelvic parameters and health-related quality of life (HRQoL), lacking an exhaustive evaluation of the postoperative situation. Therefore, the postoperative parameters most closely bonded with clinical outcomes has not yet been well-defined in DLS patients. The objective of this study was to comprehensively assess the correlation between radiographic parameters and HRQoL before and after surgery, and to identified the most valuable spinopelvic parameters for postoperative curative effect.
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