Core-Level Spectroscopy of 2-Thiouracil at the Sulfur L1- and L2,3-Edges Utilizing a SASE Free-Electron Laser
Abstract
In this paper, we report X-ray absorption and core-level electron spectra of the nucleobase derivative 2-thiouracil at the sulfur L1- and L2,3-edges. We used soft X-rays from the free-electron laser FLASH2 for the excitation of isolated molecules and dispersed the outgoing electrons with a magnetic bottle spectrometer. We identified photoelectrons from the 2p core orbital, accompanied by an electron correlation satellite, as well as resonant and non-resonant Coster–Kronig and Auger–Meitner emission at the L1- and L2,3-edges, respectively. We used the electron yield to construct X-ray absorption spectra at the two edges. The experimental data obtained are put in the context of the literature currently available on sulfur core-level and 2-thiouracil spectroscopy.
- Authors:
- Publication Date:
- Research Org.:
- SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); Volkswagen Foundation; Federal Ministry of Education and Research (BMBF); German Research Foundation (DFG); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division; European Research Council (ERC); Swedish Research Council (VR); Knut and Alice Wallenberg Foundation
- OSTI Identifier:
- 1828079
- Alternate Identifier(s):
- OSTI ID: 1877676; OSTI ID: 1878586
- Grant/Contract Number:
- NA; AC02-76SF00515; GU 1478/1-1; 637756
- Resource Type:
- Published Article
- Journal Name:
- Molecules
- Additional Journal Information:
- Journal Name: Molecules Journal Volume: 26 Journal Issue: 21; Journal ID: ISSN 1420-3049
- Publisher:
- MDPI AG
- Country of Publication:
- Switzerland
- Language:
- English
- Subject:
- 47 OTHER INSTRUMENTATION; X-ray; photoelectron; sulfur; thiouracil; nucleobases; Coster–Kronig; Auger–Meitner; NEXAFS; FLASH
Citation Formats
Lever, Fabiano, Mayer, Dennis, Metje, Jan, Alisauskas, Skirmantas, Calegari, Francesca, Düsterer, Stefan, Feifel, Raimund, Niebuhr, Mario, Manschwetus, Bastian, Kuhlmann, Marion, Mazza, Tommaso, Robinson, Matthew Scott, Squibb, Richard J., Trabattoni, Andrea, Wallner, Måns, Wolf, Thomas J. A., and Gühr, Markus. Core-Level Spectroscopy of 2-Thiouracil at the Sulfur L1- and L2,3-Edges Utilizing a SASE Free-Electron Laser. Switzerland: N. p., 2021.
Web. doi:10.3390/molecules26216469.
Lever, Fabiano, Mayer, Dennis, Metje, Jan, Alisauskas, Skirmantas, Calegari, Francesca, Düsterer, Stefan, Feifel, Raimund, Niebuhr, Mario, Manschwetus, Bastian, Kuhlmann, Marion, Mazza, Tommaso, Robinson, Matthew Scott, Squibb, Richard J., Trabattoni, Andrea, Wallner, Måns, Wolf, Thomas J. A., & Gühr, Markus. Core-Level Spectroscopy of 2-Thiouracil at the Sulfur L1- and L2,3-Edges Utilizing a SASE Free-Electron Laser. Switzerland. https://doi.org/10.3390/molecules26216469
Lever, Fabiano, Mayer, Dennis, Metje, Jan, Alisauskas, Skirmantas, Calegari, Francesca, Düsterer, Stefan, Feifel, Raimund, Niebuhr, Mario, Manschwetus, Bastian, Kuhlmann, Marion, Mazza, Tommaso, Robinson, Matthew Scott, Squibb, Richard J., Trabattoni, Andrea, Wallner, Måns, Wolf, Thomas J. A., and Gühr, Markus. Tue .
"Core-Level Spectroscopy of 2-Thiouracil at the Sulfur L1- and L2,3-Edges Utilizing a SASE Free-Electron Laser". Switzerland. https://doi.org/10.3390/molecules26216469.
@article{osti_1828079,
title = {Core-Level Spectroscopy of 2-Thiouracil at the Sulfur L1- and L2,3-Edges Utilizing a SASE Free-Electron Laser},
author = {Lever, Fabiano and Mayer, Dennis and Metje, Jan and Alisauskas, Skirmantas and Calegari, Francesca and Düsterer, Stefan and Feifel, Raimund and Niebuhr, Mario and Manschwetus, Bastian and Kuhlmann, Marion and Mazza, Tommaso and Robinson, Matthew Scott and Squibb, Richard J. and Trabattoni, Andrea and Wallner, Måns and Wolf, Thomas J. A. and Gühr, Markus},
abstractNote = {In this paper, we report X-ray absorption and core-level electron spectra of the nucleobase derivative 2-thiouracil at the sulfur L1- and L2,3-edges. We used soft X-rays from the free-electron laser FLASH2 for the excitation of isolated molecules and dispersed the outgoing electrons with a magnetic bottle spectrometer. We identified photoelectrons from the 2p core orbital, accompanied by an electron correlation satellite, as well as resonant and non-resonant Coster–Kronig and Auger–Meitner emission at the L1- and L2,3-edges, respectively. We used the electron yield to construct X-ray absorption spectra at the two edges. The experimental data obtained are put in the context of the literature currently available on sulfur core-level and 2-thiouracil spectroscopy.},
doi = {10.3390/molecules26216469},
journal = {Molecules},
number = 21,
volume = 26,
place = {Switzerland},
year = {2021},
month = {10}
}
https://doi.org/10.3390/molecules26216469
Works referenced in this record:
Non-invasive online wavelength measurements at FLASH2 and present benchmark
journal, January 2018
- Braune, Markus; Buck, Jens; Kuhlmann, Marion
- Journal of Synchrotron Radiation, Vol. 25, Issue 1
Flash II: Perspectives and challenges
journal, April 2011
- Faatz, B.; Baboi, N.; Ayvazyan, V.
- Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 635, Issue 1
Simulated and Experimental Time-Resolved Photoelectron Spectra of the Intersystem Crossing Dynamics in 2-Thiouracil
journal, November 2018
- Mai, Sebastian; Mohamadzade, Abed; Marquetand, Philipp
- Molecules, Vol. 23, Issue 11
On the decay of the triplet state of thionucleobases
journal, January 2017
- Bai, Shuming; Barbatti, Mario
- Physical Chemistry Chemical Physics, Vol. 19, Issue 20
Intersystem crossing dynamics in singly substituted thiouracil studied by time-resolved photoelectron spectroscopy: Micro-environmental effects due to sulfur position
journal, November 2018
- Mohamadzade, Abed; Bai, Shuming; Barbatti, Mario
- Chemical Physics, Vol. 515
URSA-PQ: A Mobile and Flexible Pump-Probe Instrument for Gas Phase Samples at the FLASH Free Electron Laser
journal, November 2020
- Metje, Jan; Lever, Fabiano; Mayer, Dennis
- Applied Sciences, Vol. 10, Issue 21
Photophysics and Photochemistry of Canonical Nucleobases’ Thioanalogs: From Quantum Mechanical Studies to Time Resolved Experiments
journal, June 2017
- Arslancan, Serra; Martínez-Fernández, Lara; Corral, Inés
- Molecules, Vol. 22, Issue 6
Photo-cross-linking and high-resolution mass spectrometry for assignment of RNA-binding sites in RNA-binding proteins
journal, August 2014
- Kramer, Katharina; Sachsenberg, Timo; Beckmann, Benedikt M.
- Nature Methods, Vol. 11, Issue 10
Femtosecond Time-Resolved Photoelectron Spectroscopy
journal, April 2004
- Stolow, Albert; Bragg, Arthur E.; Neumark, Daniel M.
- Chemical Reviews, Vol. 104, Issue 4
Ultrafast dynamics of 2-thiouracil investigated by time-resolved Auger spectroscopy
journal, January 2020
- Lever, F.; Mayer, D.; Picconi, D.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 54, Issue 1
Efficient DNA interstrand crosslinking by 6-thioguanine and UVA radiation
journal, August 2011
- Brem, Reto; Daehn, Ilse; Karran, Peter
- DNA Repair, Vol. 10, Issue 8
Magnetic field paralleliser for 2π electron-spectrometer and electron-image magnifier
journal, April 1983
- Kruit, P.; Read, F. H.
- Journal of Physics E: Scientific Instruments, Vol. 16, Issue 4
The tautomeric equilibria of thio analogues of nucleic acid bases. Part 3. Ultraviolet photoelectron spectra of 2-thiouracil and its methyl derivatives
journal, January 1990
- Katritzky, Alan R.; Szafran, Miroslaw; Pfister-Guillouzo, Genevi�ve
- Journal of the Chemical Society, Perkin Transactions 2, Issue 6
Ultrafast X-ray Auger probing of photoexcited molecular dynamics
journal, June 2014
- McFarland, B. K.; Farrell, J. P.; Miyabe, S.
- Nature Communications, Vol. 5, Issue 1
Core-level spectroscopy and dynamics of free molecules
journal, January 2011
- Feifel, R.; Piancastelli, M. N.
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 183, Issue 1-3
Experimental strategies for optical pump – soft x-ray probe experiments at the LCLS
journal, April 2014
- McFarland, B. K.; Berrah, N.; Bostedt, C.
- Journal of Physics: Conference Series, Vol. 488, Issue 1
Increase in the photoreactivity of uracil derivatives by doubling thionation
journal, January 2015
- Pollum, M.; Jockusch, S.; Crespo-Hernández, C. E.
- Phys. Chem. Chem. Phys., Vol. 17, Issue 41
Carbon and oxygen kll and sulfur lmm auger spectra of ocs
journal, January 1990
- Carroll, T. X.; Ji, De; Thomas, T. D.
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 51
Observing Femtosecond Fragmentation Using Ultrafast X-ray-Induced Auger Spectra
journal, July 2017
- Wolf, Thomas; Holzmeier, Fabian; Wagner, Isabella
- Applied Sciences, Vol. 7, Issue 7
Tautomerism in 4-Hydroxypyrimidine, S -Methyl-2-thiouracil, and 2-Thiouracil
journal, December 2010
- Giuliano, Barbara M.; Feyer, Vitaliy; Prince, Kevin C.
- The Journal of Physical Chemistry A, Vol. 114, Issue 48
Direct observation of electron dynamics in the attosecond domain
journal, July 2005
- Föhlisch, A.; Feulner, P.; Hennies, F.
- Nature, Vol. 436, Issue 7049
A Static Picture of the Relaxation and Intersystem Crossing Mechanisms of Photoexcited 2-Thiouracil
journal, August 2015
- Mai, Sebastian; Marquetand, Philipp; González, Leticia
- The Journal of Physical Chemistry A, Vol. 119, Issue 36
The resonant Auger effect
journal, January 2000
- Armen, G. Bradley; Aksela, Helena; Åberg, Teijo
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 33, Issue 2
Spatial Factors for Triplet Fusion Reaction of Singlet Oxygen Photosensitization
journal, October 2017
- Bai, Shuming; Barbatti, Mario
- The Journal of Physical Chemistry Letters, Vol. 8, Issue 21
Electron shake-up and correlation satellites and continuum shake-off distributions in X-Ray photoelectron spectra of the rare gas atoms
journal, January 1988
- Svensson, Svante; Eriksson, Bengt; Mårtensson, Nils
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 47
4-thiothymidine sensitization of DNA to UVA offers potential for a novel photochemotherapy
journal, January 2012
- Reelfs, Olivier; Karran, Peter; Young, Antony R.
- Photochem. Photobiol. Sci., Vol. 11, Issue 1
Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption
journal, June 2017
- Wolf, T. J. A.; Myhre, R. H.; Cryan, J. P.
- Nature Communications, Vol. 8, Issue 1
Photochemical and Photodynamical Properties of Sulfur-Substituted Nucleic Acid Bases,
journal, September 2018
- Ashwood, Brennan; Pollum, Marvin; Crespo-Hernández, Carlos E.
- Photochemistry and Photobiology, Vol. 95, Issue 1
Novel DNA lesions generated by the interaction between therapeutic thiopurines and UVA light
journal, March 2007
- Zhang, Xiaohong; Jeffs, Graham; Ren, Xiaolin
- DNA Repair, Vol. 6, Issue 3
Simultaneous operation of two soft x-ray free-electron lasers driven by one linear accelerator
journal, June 2016
- Faatz, B.; Plönjes, E.; Ackermann, S.
- New Journal of Physics, Vol. 18, Issue 6
Role of Postreplicative DNA Mismatch Repair in the Cytotoxic Action of Thioguanine
journal, August 1996
- Swann, Peter F.; Waters, Timothy R.; Moulton, David C.
- Science, Vol. 273, Issue 5278
Ionization and fragmentation of OCS and CS2 after photoexcitation around the sulfur 2p edge
journal, August 1997
- Ankerhold, U.; Esser, B.; von Busch, F.
- Chemical Physics, Vol. 220, Issue 3
Normal and resonant Auger spectroscopy of isocyanic acid, HNCO
journal, July 2018
- Holzmeier, F.; Wolf, T. J. A.; Gienger, C.
- The Journal of Chemical Physics, Vol. 149, Issue 3
Transient resonant Auger–Meitner spectra of photoexcited thymine
journal, January 2021
- Wolf, Thomas J. A.; Paul, Alexander C.; Folkestad, Sarai D.
- Faraday Discussions, Vol. 228
Photoactivation of DNA thiobases as a potential novel therapeutic option
journal, July 2001
- Massey, Andrew; Xu, Yao-Zhong; Karran, Peter
- Current Biology, Vol. 11, Issue 14
Tracing the 267 nm-Induced Radical Formation in Dimethyl Disulfide Using Time-Resolved X-ray Absorption Spectroscopy
journal, February 2019
- Schnorr, Kirsten; Bhattacherjee, Aditi; Oosterbaan, Katherine J.
- The Journal of Physical Chemistry Letters, Vol. 10, Issue 6
2-Thiouracil intersystem crossing photodynamics studied by wavelength-dependent photoelectron and transient absorption spectroscopies
journal, January 2017
- Sánchez-Rodríguez, José A.; Mohamadzade, Abed; Mai, Sebastian
- Physical Chemistry Chemical Physics, Vol. 19, Issue 30
Shake-up transitions in S 2p, S 2s and F 1s photoionization of the SF 6 molecule
journal, February 2009
- Decleva, P.; Fronzoni, G.; Kivimäki, A.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 42, Issue 5