A photoelectron spectroscopic investigation of aspirin, paracetamol and ibuprofen in the gas phase-Reference-Cited by-同舟云学术

A photoelectron spectroscopic investigation of aspirin, paracetamol and ibuprofen in the gas phase

Published:2023 Issue:15 Volume:25 Page:10946-10955
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sa’adeh Hanan¹²^ORCID,Prince Kevin C.²³^ORCID,Richter Robert²^ORCID,Vasilyev Vladislav⁴,Chong Delano P.⁵,Wang Feng³^ORCID

Affiliation:

1. Department of Physics, The University of Jordan, Amman, 11942, Jordan

2. Elettra Sincrotrone Trieste, in Area Science Park, 34149 Basovizza, Trieste, Italy

3. Department of Chemistry and Biotechnology, School of Science, Computing and Engineering Technologies, Swinburne University of Technology, Melbourne, Victoria 3122, Australia

4. National Computational Infrastructure, Australian National University, Canberra, ACT 0200, Australia

5. Department of Chemistry, University of British Columbia, Canada

Abstract

We have investigated the electronic structure of isolated molecules of paracetamol, aspirin and ibuprofen using computational methods and benchmarked the results against valence and core photoelectron spectra.

Funder

Elettra-Sincrotrone Trieste

Abdus Salam International Centre for Theoretical Physics

University of Jordan

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP05810C

Reference41 articles.

1. Mechanism of Action of Nonsteroidal Anti-inflammatory Drugs

2. Toward an Optimal Docking and Free Energy Calculation Scheme in Ligand Design with Application to COX-1 Inhibitors

3. Photoelectron spectroscopy of non-steroidal anti-inflammatory drugs

4. Aspirin. An ab Initio Quantum-Mechanical Study of Conformational Preferences and of Neighboring Group Interactions

5. Competitive hydrogen bonding in aspirin-aspirin and aspirin-leucine interactions

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