The rotational spectrum of the molecular complex diacetyl-water has been measured by pulsed jet Fourier transform microwave (FTMW) spectroscopy. The water molecule acts as an electrofore and induces a dipole moment when combined with nonpolar diacetyl. Only one conformer has been observed, corresponding to the global minimum. Its shape is unambiguously established: the water moiety is linked asymmetrically to the organic molecule; it behaves as a proton donor to one of its oxygen atoms and interferes with the internal rotation of adjacent methyl group through a C-H...O interaction. Each rotational transition appears as a quintuplet, due to the internal rotation of the two methyl groups, which are nonequivalent in the adduct. From the analysis of the observed splittings, the V(3) barriers to the internal rotation of the two methyl groups have been determined to be 3.81(2) and 4.11(2) kJ/mol, respectively.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1021/jp903022x | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
A national survey on gastroenterology and hepatology training reveals dissimilar perceptions between trainees and trainers and an important need for improvement in training programs.
Eur J Gastroenterol Hepatol
January 2025
Division of Gastroenterology and Hepatology, Department of Medicine III, Medical University of Vienna, Vienna.
Objective: We aimed to collect data on gastroenterology and hepatology training from the viewpoint of trainees and trainers.
Methods: A national online survey was distributed among trainees and specialists at certified training institutions between February and May 2024.
Results: Overall, 226 respondents - 98 trainees, 78 trainers, 50 program directors, and department heads responded, with a national coverage of 70% of trainees and 85% of specialty-department heads.
Magnetization of immobilized multi-core particles with varying internal structures.
Phys Chem Chem Phys
January 2025
Ural Federal University, Ekaterinburg, Russia.
This work is devoted to the study of the static magnetization of immobilized multi-core particles (MCPs) and their ensembles. These objects model aggregates of superparamagnetic nanoparticles that are taken up by biological cells and subsequently used, for example, as magnetoactive agents for cell imaging. In this study, we derive an analytical formula that allows us to predict the static magnetization of MCPs consisting of immobilized granules, in which the magnetic moment rotates freely the Néel mechanism.
View Article and Find Full Text PDFTherapeutic effect of titanium locking plate combined with suture anchor repair in proximal humeral fractures.
Pak J Med Sci
January 2025
Zhenfeng Huang Department of Orthopedic Trauma, Wuhan Fourth Hospital, Wuhan, Hubei Province 430000, P.R. China.
Objective: To explore the therapeutic effect of titanium locking plate combined with suture anchor (SA) repair in the treatment of proximal humeral fractures (PHF).
Methods: This retrospective study was conducted by analyzing the clinical data of 113 patients with PHF admitted to Wuhan Fourth Hospital from March 2021 to October 2023. Among them, 55 patients underwent open reduction and internal fixation (OR/IF) using titanium locking plate (OR/IF group), and 58 patients underwent surgery with titanium locking plate combined with SA (SA group).
Clinical outcomes and biomechanics in bicruciate-retaining total knee arthroplasty.
J Exp Orthop
January 2025
Department of Orthopaedic Surgery, Faculty of Medicine The University of Tokyo Tokyo Japan.
Purpose: To clarify the influence of biomechanics on post-operative clinical outcomes in bicruciate-retaining total knee arthroplasty (BCR-TKA).
Methods: Severe medial osteoarthritis who underwent BCR-TKA were examined. Each patient was asked to perform a squat (weight-bearing [WB]) and active assisted knee flexion (non-WB [NWB]) under single fluoroscopy surveillance.
The impact of preexisting psychiatric disorders on patient outcomes following primary total shoulder arthroplasty: A systematic review and quantitative synthesis.
Shoulder Elbow
January 2025
Sunnybrook Orthopaedic Upper Limb (SOUL), Sunnybrook Health Sciences Centre, Division of Orthopaedic Surgery, Department of Surgery, University of Toronto, Toronto, ON, Canada.
Purpose: To summarize complication rates, reoperation rates, length-of-stay (LOS), patient-reported outcome measures (PROMs), and range of motion following total shoulder arthroplasty (TSA) in patients with preexisting psychiatric disorders (PDs) compared to controls.
Methods: Three databases (MEDLINE, PubMed, and EMBASE) were searched from inception to 4 March 2024 to identify studies comparing outcomes between patients undergoing anatomic (aTSA) or reverse TSA (rTSA) with or without a preexisting psychiatric condition. The authors adhered to the preferred reporting items for systematic reviews and meta-analyses and revised assessment of multiple systematic review guidelines.
Want 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!