Cyanoacetylene, HCC-CN is a ubiquitous molecule in the Universe. However, its interstellar chemistry is not well understood and its understanding requires laboratory data including rotational spectroscopy of possible products coming from a reaction with another compounds. In this study we present the first spectroscopic characterization of gauche conformation of 4-hydroxy-2-butynenitrile (HOCHCCCN), a formal adduct of cyanoacetylene on formaldehyde, in the frequency range up to 500 GHz. The analysis of the rotational spectrum was complicated by internal rotation of the OH group that connects two equivalent gauche configurations. The spectral assignment was aided by high-level quantum chemical calculations that were particularly useful in the interpretation of torsional-rotational part of the problem. The applied reduced-axis-system (RAS) formalism allowed fitting within experimental accuracy the lines with K < 18. We also present the method of search for initial global solution of torsional-rotational problem within RAS formalism. Accurate spectroscopic parameters obtained in this study provide a reliable basis for the detection of 4-hydroxy-2-butynenitrile in the interstellar medium.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1021/acs.jpca.7b12051 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Robotic Microcapsule Assemblies with Adaptive Mobility for Targeted Treatment of Rugged Biological Microenvironments.
ACS Nano
January 2025
Center for Innovation & Precision Dentistry, School of Dental Medicine, School of Engineering and Applied Science, University of Pennsylvania, Philadelphia, Pennsylvania 19104, United States.
Microrobots are poised to transform biomedicine by enabling precise, noninvasive procedures. However, current magnetic microrobots, composed of solid monolithic particles, present fundamental challenges in engineering intersubunit interactions, limiting their collective effectiveness in navigating irregular biological terrains and confined spaces. To address this, we design hierarchically assembled microrobots with multiaxis mobility and collective adaptability by engineering the potential magnetic interaction energy between subunits to create stable, self-reconfigurable structures capable of carrying and protecting cargo internally.
View Article and Find Full Text PDFTREATMENT OF ADHESIVE CAPSULITIS WITH THE TRIPLE PROCEDURE: INTRA-ARTICULAR INJECTION WITH CORTICOSTEROIDS, HYDRODILATION AND SHOULDER MANIPULATION UNDER SEDATION.
Acta Ortop Bras
January 2025
Universidade de Sao Paulo, Hospital das Clinicas HC-FMUSP, Faculdade de Medicina, Sao Paulo, SP, Brazil.
Objective: There are several conservative treatment options for adhesive capsulitis (AC), but no previous study combines hydrodilation, corticosteroid injection and joint manipulation under sedation (triple procedure), followed by daily home exercises.
Methods: Patients included were evaluated before the procedure, at 30 days, 3, 6 and 12 months after treatment in prospective cohort. The outcomes used were the ASES, UCLA, SANE, VAS scales and passive range of motion (ROM).
Anatomic total shoulder arthroplasty in the 7th decade of life demonstrates superior long-term maintenance than in older patients.
J Orthop
July 2025
Department of Orthopaedic Surgery, Icahn School of Medicine at Mount Sinai, New York, NY, USA.
Background: Anatomic total shoulder arthroplasty (aTSA) is often delayed due to concerns about a more rapid loss of postoperative improvements in younger, more active patients. This retrospective study investigated the effects of patient age on activity-specific functional outcomes at a minimum of 10 years following aTSA.
Methods: A retrospective review of a shoulder arthroplasty database was performed.
A Case Series on the Devastating Simultaneous Bilateral Fracture of Ankles That Remains Under-reported: Can We Address the Career-Ending Injuries?
J Orthop Case Rep
January 2025
Department of Orthopaedic Surgery, Chris Hani Baragwanath Academic Hospital, University of the Witwatersrand, Johannesburg, South Africa.
Introduction: Bilateral simultaneous rotational ankle fractures are an unusual phenomenon that remains unreported in the English literature, and to our knowledge, about 10 cases have been reported. The aim of the study was to evaluate and report clinical outcomes of bilateral simultaneous ankle fractures in our institution.
Case Reoprt: We conducted a review of our 2-year experience with patients who had simultaneous bilateral fractures of the ankles and were treated at our institution.
Uncommon Presentation of Hip Pain Due to Calcific Tendonitis in the Rectus Femoris.
J Orthop Case Rep
January 2025
Department of Orthopaedics, ACS Medical College and Hospital, Dr. MGR Educational and Research Institute, Chennai, Tamil Nadu, India.
Introduction: Calcific tendonitis is characterized by calcium hydroxyapatite crystal deposition in tendons, leading to inflammation and pain. While predominantly observed in the rotator cuff tendons of the shoulder, its occurrence in the rectus femoris tendon of the hip is exceedingly rare and poses a diagnostic challenge.
Case Report: A 38-year-old female housewife presented with a 1-month history of left hip pain, which was dull, aching, and exacerbated by movements such as standing and walking.
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!