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Photoelectron spectroscopy of the deprotonated tryptophan anion: the contribution of deprotomers to its photodetachment channels
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SYSNO ASEP 0585161 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Photoelectron spectroscopy of the deprotonated tryptophan anion: the contribution of deprotomers to its photodetachment channels Author(s) Gibbard, J. A. (GB)
Kellow, C. S. (GB)
Verlet, Jan Raf Rogier (UFCH-W)Source Title Physical Chemistry Chemical Physics. - : Royal Society of Chemistry - ISSN 1463-9076
Roč. 26, č. 15 (2024), s. 12053-12059Number of pages 7 s. Language eng - English Country GB - United Kingdom Keywords uv absorption-band ; basis-sets ; acid ; fluorescence ; proteins ; dynamics ; tyrosine ; spectra ; atoms Subject RIV CF - Physical ; Theoretical Chemistry OECD category Physical chemistry R&D Projects EH22_008/0004649 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) Method of publishing Open access Institutional support UFCH-W - RVO:61388955 UT WOS 001197157000001 EID SCOPUS 85189686370 DOI 10.1039/d4cp00309h Annotation Photoelectron spectroscopy and electronic structure calculations are used to investigate the electronic structure of the deprotonated anionic form of the aromatic amino acid tryptophan, and its chromophore, indole. The photoelectron spectra of tryptophan, recorded at different wavelengths across the UV, consist of two direct detachment channels and thermionic emission, whereas the h nu = 4.66 eV spectrum of indole consists of two direct detachment features. Electronic structure calculations indicate that two deprotomers of tryptophan are present in the ion beam, deprotonation of the carboxylic acid group (Trp(i)-) or the N atom on the indole ring (Trp(ii)-). Strong similarities are observed between the direct detachment channels in the photoelectron spectra of tryptophan and indole, which in conjunction with electronic structure calculations, indicate that electron loss from Trp(ii)- dominates this portion of the spectra. However, there is some evidence that direct detachment of Trp(i)- is also observed. Thermionic emission is determined to predominantly arise from the decarboxylation of Trp(i)-, mediated by the pi pi* excited state near lambda = 300 nm, which results in an anionic fragment with a negative electron affinity that readily autodetaches. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2025 Electronic address https://pubs.rsc.org/en/content/articlelanding/2024/cp/d4cp00309h
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