Abstract
Possible routes for intra-cluster bond formation (ICBF) in protonated serine dimers have been studied. We found no evidence of ICBF following low energy collision-induced dissociation (in correspondence with previous works), however, we do observe clear evidence for ICBF following photon absorption in the 4.6–14 eV range. Moreover, the comparison of photon-induced dissociation measurements of the protonated serine dimer to those of a protonated serine dipeptide provides evidence that ICBF, in this case, involves peptide bond formation (PBF). The experimental results are supported by ab initio molecular dynamics and exploration of several excited state potential energy surfaces, unraveling a pathway for PBF following photon absorption. The combination of experiments and theory provides insight into the PBF mechanisms in clusters of amino acids, and reveals the importance of electronic excited states reached upon UV/VUV light excitation.
| Original language | English |
|---|---|
| Article number | e202218770 |
| Journal | Angewandte Chemie - International Edition |
| Volume | 62 |
| Issue number | 15 |
| DOIs | |
| State | Published - 3 Apr 2023 |
Bibliographical note
Publisher Copyright:© 2023 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH.
Funding
This article is based upon work from COST action CA18212—Molecular Dynamics in the GAS phase (MD-GAS), supported by COST (European Cooperation in Science and Technology). The authors acknowledge the generous allocation of computer time at the Centro de Computación Científica at the Universidad Autónoma de Madrid (CCC-UAM). This work was partially supported by MICINN (Spanish Ministry of Science and Innovation) project PID2019-110091GB-I00 funded by MCIN/AEI/10.13039/501100011033, the “María de Maeztu” (CEX2018-000805-M) Program for Centers of Excellence in RD. D.B.-L. acknowledges the FPI grant associated with MICINN project CTQ2016-76061-P. R.S. acknowledges the Normandy Region and the European Union in the frame of operational program FEDER/FSE 2014-2020 (RIN MAGIC) and the support received by the French ANR agency (ANR-18-CE30-0021, ANR FRAPA). V.T.T.N. acknowledges NucPhys Master Degree and EACEA (project number: 610575-EPP-1-2019-1-ES-EPPKA1-JMD-MOB, contract: 2019-2130) for support. We are grateful to the general staff of SOLEIL for smoothly running the facility and for providing beamtime under project #20210498, and to J.-F. Gil for his help in installing the ion trap set-up on the DESIRS beamline. This work was supported by the Agence Nationale de la Recherche, France, under project ANR-08-BLAN-0065. This article is based upon work from COST action CA18212—Molecular Dynamics in the GAS phase (MD‐GAS), supported by COST (European Cooperation in Science and Technology). The authors acknowledge the generous allocation of computer time at the Centro de Computación Científica at the Universidad Autónoma de Madrid (CCC‐UAM). This work was partially supported by MICINN (Spanish Ministry of Science and Innovation) project PID2019‐110091GB‐I00 funded by MCIN/AEI/10.13039/501100011033, the “María de Maeztu” (CEX2018‐000805‐M) Program for Centers of Excellence in RD. D.B.‐L. acknowledges the FPI grant associated with MICINN project CTQ2016‐76061‐P. R.S. acknowledges the Normandy Region and the European Union in the frame of operational program FEDER/FSE 2014‐2020 (RIN MAGIC) and the support received by the French ANR agency (ANR‐18‐CE30‐0021, ANR FRAPA). V.T.T.N. acknowledges NucPhys Master Degree and EACEA (project number: 610575‐EPP‐1‐2019‐1‐ES‐EPPKA1‐JMD‐MOB, contract: 2019‐2130) for support. We are grateful to the general staff of SOLEIL for smoothly running the facility and for providing beamtime under project #20210498, and to J.‐F. Gil for his help in installing the ion trap set‐up on the DESIRS beamline. This work was supported by the Agence Nationale de la Recherche, France, under project ANR‐08‐BLAN‐0065.
| Funders | Funder number |
|---|---|
| ANR-18-CE30-0021 | |
| CCC-UAM | |
| Centro de Computación Científica at the Universidad Autónoma de Madrid | |
| European Commission | |
| Education, Audiovisual and Culture Executive Agency | 20210498, 2019‐2130, 610575‐EPP‐1‐2019‐1‐ES‐EPPKA1‐JMD‐MOB |
| European Cooperation in Science and Technology | |
| Agence Nationale de la Recherche | ANR‐08‐BLAN‐0065 |
| Ministerio de Ciencia e Innovación | MCIN/AEI/10.13039/501100011033, PID2019‐110091GB‐I00 |
Keywords
- Cluster Compounds
- Gas-Phase Reactions
- Mass Spectrometry
- Quantum Chemistry
- UV/Vis Spectroscopy