DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Core-Level Spectroscopy of 2-Thiouracil at the Sulfur L1- and L2,3-Edges Utilizing a SASE Free-Electron Laser

Journal Article · · Molecules
 [1]; ORCiD logo [1];  [2];  [2];  [3];  [2];  [4]; ORCiD logo [1];  [2];  [2];  [5];  [6];  [4]; ORCiD logo [2];  [4]; ORCiD logo [7];  [1]
  1. Universität Potsdam (Germany)
  2. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
  3. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Univ. of Hamburg (Germany)
  4. Gothenburg University (Sweden)
  5. European XFEL, Schenefeld (Germany)
  6. Universität Potsdam (Germany); Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Univ. of Hamburg (Germany)
  7. SLAC National Accelerator Lab., Menlo Park, CA (United States). Photon Ultrafast Laser Science and Engineering Inst. (PULSE)

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.

Research Organization:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
Sponsoring Organization:
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; USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
AC02-76SF00515; GU 1478/1-1; 637756; NA
OSTI ID:
1828079
Alternate ID(s):
OSTI ID: 1877676; OSTI ID: 1878586
Journal Information:
Molecules, Vol. 26, Issue 21; ISSN 1420-3049
Publisher:
MDPICopyright Statement
Country of Publication:
United States
Language:
English

References (37)

Flash II: Perspectives and challenges
  • 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 https://doi.org/10.1016/j.nima.2010.10.065
journal April 2011
Simulated and Experimental Time-Resolved Photoelectron Spectra of the Intersystem Crossing Dynamics in 2-Thiouracil journal November 2018
On the decay of the triplet state of thionucleobases journal January 2017
Intersystem crossing dynamics in singly substituted thiouracil studied by time-resolved photoelectron spectroscopy: Micro-environmental effects due to sulfur position journal November 2018
URSA-PQ: A Mobile and Flexible Pump-Probe Instrument for Gas Phase Samples at the FLASH Free Electron Laser journal November 2020
Photophysics and Photochemistry of Canonical Nucleobases’ Thioanalogs: From Quantum Mechanical Studies to Time Resolved Experiments journal June 2017
Photo-cross-linking and high-resolution mass spectrometry for assignment of RNA-binding sites in RNA-binding proteins journal August 2014
Femtosecond Time-Resolved Photoelectron Spectroscopy journal April 2004
Ultrafast dynamics of 2-thiouracil investigated by time-resolved Auger spectroscopy journal January 2020
Simultaneous operation of two soft x-ray free-electron lasers driven by one linear accelerator audiovisual January 2016
Efficient DNA interstrand crosslinking by 6-thioguanine and UVA radiation journal August 2011
Magnetic field paralleliser for 2π electron-spectrometer and electron-image magnifier journal April 1983
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
Ultrafast X-ray Auger probing of photoexcited molecular dynamics journal June 2014
Core-level spectroscopy and dynamics of free molecules journal January 2011
Experimental strategies for optical pump – soft x-ray probe experiments at the LCLS journal April 2014
Increase in the photoreactivity of uracil derivatives by doubling thionation journal January 2015
Carbon and oxygen kll and sulfur lmm auger spectra of ocs journal January 1990
Observing Femtosecond Fragmentation Using Ultrafast X-ray-Induced Auger Spectra journal July 2017
Tautomerism in 4-Hydroxypyrimidine, S -Methyl-2-thiouracil, and 2-Thiouracil journal December 2010
Direct observation of electron dynamics in the attosecond domain journal July 2005
A Static Picture of the Relaxation and Intersystem Crossing Mechanisms of Photoexcited 2-Thiouracil journal August 2015
The resonant Auger effect journal January 2000
Spatial Factors for Triplet Fusion Reaction of Singlet Oxygen Photosensitization journal October 2017
Electron shake-up and correlation satellites and continuum shake-off distributions in X-Ray photoelectron spectra of the rare gas atoms journal January 1988
Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption journal June 2017
Photochemical and Photodynamical Properties of Sulfur-Substituted Nucleic Acid Bases, journal September 2018
Novel DNA lesions generated by the interaction between therapeutic thiopurines and UVA light journal March 2007
Simultaneous operation of two soft x-ray free-electron lasers driven by one linear accelerator journal June 2016
Role of Postreplicative DNA Mismatch Repair in the Cytotoxic Action of Thioguanine journal August 1996
Ionization and fragmentation of OCS and CS2 after photoexcitation around the sulfur 2p edge journal August 1997
Normal and resonant Auger spectroscopy of isocyanic acid, HNCO journal July 2018
Transient resonant Auger–Meitner spectra of photoexcited thymine journal January 2021
Tracing the 267 nm-Induced Radical Formation in Dimethyl Disulfide Using Time-Resolved X-ray Absorption Spectroscopy journal February 2019
2-Thiouracil intersystem crossing photodynamics studied by wavelength-dependent photoelectron and transient absorption spectroscopies journal January 2017
Shake-up transitions in S 2p, S 2s and F 1s photoionization of the SF 6 molecule journal February 2009
4-thiothymidine sensitization of DNA to UVA offers potential for a novel photochemotherapy journal January 2012