A remarkable number of reactions between neutral free radicals and neutral molecules have been shown to remain rapid down to temperatures as low as 20 kelvin. The rate coefficients generally increase as the temperature is lowered. We examined the reasons for this temperature dependence through a combined experimental and theoretical study of the reactions of O(3P) atoms with a range of alkenes. The factors that control the rate coefficients were shown to be rather subtle, but excellent agreement was obtained between the experimental results and microcanonical transition state theory calculations based on ab initio representations of the potential energy surfaces describing the interaction between the reactants.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1126/science.1142373 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Preoperative Glucagon-Like Peptide-1 Receptor Agonist Utilization and Association with Bariatric Surgery Outcomes.
Obes Surg
January 2025
Surgical Outcomes and Quality Improvement Center (SOQIC), Department of Surgery, Indiana University School of Medicine, Indianapolis, IN, USA.
Background: The efficacy of Glucagon-Like Peptide-1 Receptor Agonists (GLP1RA) for the treatment of obesity has led to considerably increased demand for these medications. GLP1RA use prior to bariatric surgery may represent a novel approach to treating obesity. The objectives of this study were to (1) describe trends in pre-bariatric GLP1RA use, (2) investigate social and clinical factors associated with their use, and (3) evaluate differences in clinical outcomes based on preoperative GLP1RA use.
View Article and Find Full Text PDFCompartmental Models Driven by Renewal Processes: Survival Analysis and Applications to SVIS Epidemic Models.
Sci Rep
January 2025
Department of Biostatistics, Data Science and Epidemiology, School of Public Health, Augusta University, 1120, 15th Street, Augusta, GA, 30912, USA.
Compartmental models with exponentially distributed lifetime stages assume a constant hazard rate, limiting their scope. This study develops a theoretical framework for systems with general lifetime distributions, modeled as transition rates in a renewal process. Applications are provided for the SVIS (Susceptible-Vaccinated-Infected-Susceptible) disease epidemic model to investigate the impacts of hazard rate functions (HRFs) on disease control.
View Article and Find Full Text PDFIntraoperative frozen section analysis for detection of fracture-related infection in nonunion of the upper limb. Diagnostic accuracy study.
Injury
December 2024
Hand and Upper Extremity Unit, Institute of Orthopedics 'Carlos E. Ottolenghi', Italian Hospital of Buenos Aires, Buenos Aires, Argentina. Electronic address:
Introduction: During revision surgery for the management of patients presenting with long-bone upper extremity nonunion, it is crucial to rule out fracture-related infection (FRI). This is especially true if there are clinical signs suggestive of FRI, or if there is a history of prior FRI, open wound fracture, or surgery. This study aimed to determine the efficacy of frozen section analysis (FSA) in providing real-time diagnosis of FRI in patients with upper-limb long-bone nonunion undergoing revision surgery.
View Article and Find Full Text PDFAssociation between acetabular coverage over femoral head and rate of joint space narrowing in non-arthritic hips.
Bone Jt Open
January 2025
Department of Orthopaedic Surgery, Kyoto University Graduate School of Medicine, Kyoto, Japan.
Aims: This study was performed to investigate the association between the acetabular morphology and the joint space narrowing rate (JSNR) in the non-arthritic hip.
Methods: We retrospectively reviewed standing whole-leg radiographs of patients who underwent knee arthroplasty from February 2012 to March 2020 at our institute. Patients with a history of hip surgery, Kellgren-Lawrence grade ≥ II hip osteoarthritis, or rheumatoid arthritis were excluded.
Pressure-dependent kinetic analysis of the NH potential energy surface.
Phys Chem Chem Phys
January 2025
Wolfson Department of Chemical Engineering, Technion - Israel Institute of Technology, Haifa 3200003, Israel.
The pressure-dependent reactions on the NH potential energy surface (PES) have been investigated using CCSD(T)-F12/aug-cc-pVTZ-F12//B2PLYP-D3/aug-cc-pVTZ. This study expands the NH PES beyond the previous literature by incorporating a newly identified isomer, NHN, along with additional bimolecular reaction channels associated with this isomer, namely NNH + H and HNN(S) + H. Rate coefficients for all relevant pressure-dependent reactions, including well-skipping pathways, are predicted using a combination of transition state theory and master equation simulations.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!