Innershell Absorption Spectroscopy of Amino Acids at All Relevant Absorption Edges

Zubavichus, Yan V.; Shaporenko, Andrey; Grunze, M.; Zharnikov, Michael

doi:10.1021/jp0535846

Cited by 161 publications

(268 citation statements)

References 16 publications

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“…Calculated NEXAFS spectra for N-methylacetamide have, to the best of our knowledge, been reported only for the N and O edges 47 and predicted rough similarities. Although a detailed assignment of the spectral structures cannot be performed on the basis of previous investigations of this molecule, studies of similar molecules [3][4][5]7 suggest that the dominant peak in each NEXAFS spectrum is associated with a 1s→π* transition.…”

Section: Nexafs Spectramentioning

confidence: 96%

“…Furthermore, excitation at 402.1 eV results in the highest yield of fragments of m=58 u, i.e. at this resonance one is most likely to detach only CD 3 .…”

Section: Fragmentation Of Singly Charged Ionsmentioning

confidence: 99%

“…Determination of the geometric structure, which is related to the function of these molecules, can, for instance, be achieved by Xray crystallography 1 . Spectroscopic techniques such as X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy enhance our understanding of the electronic structure [2][3][4][5][6][7][8] and give detailed information on the sample composition and its decomposition mechanisms 9,10 which are relevant in respect to the samples' biological function. Since proteins and peptides consist of amino acids linked together by peptide bonds, the investigation of these bonds are of particular interest.…”

Section: Introductionmentioning

confidence: 99%

“…NEXAFS spectra were recorded at high resolution in order to locate pre-edge resonances in the vicinity of the C, N and O edges and in order to study subsequently the fragmentation patterns associated with these resonances using an ion timeof-flight (TOF) coincidence spectroscopy technique. For easier identification of the fragments originating from either side of the molecule the deuterated form of N-methylacetamide (CD 3 …”

Section: Introductionmentioning

confidence: 99%

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Selectivity in fragmentation of N-methylacetamide after resonant K-shell excitation

Salén

Kamińska

Squibb

et al. 2014

Phys. Chem. Chem. Phys.

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PostprintThis is the accepted version of a paper published in Physical Chemistry, Chemical Physics -PCCP. This paper has been peer-reviewed but does not include the final publisher proof-corrections or journal pagination.Citation for the original published paper (version of record):Salen, P., Kaminska, M., Squibb, R J., Richter, R., Alagia, M. et al. (2014) Selectivity in fragmentation of N-methylacetamide after resonant K-shell excitation. The fragmentation pattern of the peptide model system, N-methylacetamide, is investigated using ion time-of-flight (TOF) spectroscopy after resonant K-shell excitation. Corresponding near-edge X-ray absorption fine structure (NEXAFS) spectra recorded at high resolution at the C1s, N1s and O1s edges are presented. Analysis of the ion TOF data reveals a multitude of fragmentation channels and dissociation pathways. Comparison between the excitation of six different resonances in the vicinity of the C1s, N1s and O1s edges suggests evidence for site-selective bond breaking. In particular the breaking of the peptide bond and the N-C α bond show a clear correlation with resonant excitation at the N1s edge. Also, stronger tendencies towards site-selective bond breaking are found for the generation of single ions compared with ion pairs. Analysis of angular distributions of ions from breakage of the peptide bond yields a fragmentation time of < 400 fs.

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Section: Nexafs Spectramentioning

confidence: 96%

“…Furthermore, excitation at 402.1 eV results in the highest yield of fragments of m=58 u, i.e. at this resonance one is most likely to detach only CD 3 .…”

Section: Fragmentation Of Singly Charged Ionsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Selectivity in fragmentation of N-methylacetamide after resonant K-shell excitation

Salén

Kamińska

Squibb

et al. 2014

Phys. Chem. Chem. Phys.

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“…125 In conclusion, it can be said with great certainty that the intercalation was successful in all cases, but the application of different solvent mixtures during the synthesis affected tremendously the arrangement of the anions between the layers, and thus, the basal distances of the LDHs.…”

Section: Figure 34 Ir Spectra Of the L-prolinate-ldh Prepared In Acementioning

confidence: 93%

Functional Materials - Syntheses, Characterisation and Catalytic Applications

Sipiczki¹

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Synchrotron‐Based Near‐Edge X‐Ray Spectroscopy of Natural Organic Matter in Soils and Sediments

Lehmann

Solomon

Brandes

et al. 2009

Biophysico‐Chemical Processes Involving Natural Nonliving Organic Matter in Environmental Systems

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SyNCHROTRON-BASED NEAR-EDgE X-RAy SPECTROSCOPy discrete radii indexed by a principal quantum number n = 1,2,3 …, and discrete binding energies for single-electron atoms of E n = −E 0 Z 2 /n 2 , where Z is the atomic number and E 0 = 13.6 eV (see Figure 17.1). When the energy of incident photons is increased to match the binding energy of an electron, the photon absorption probability suddenly increases in what is called an X-ray absorption edge (step function in Figure 17.2, which is at about 290 eV for carbon), so that the electron is completely removed from the atom in an ionization event (absorption edges are also labeled figure 17.1. Atom in the Bohr model. The electrons surround the nucleus. An incoming photon can lift an electron to a not fully occupied, higher orbital or remove it entirely from the atom. Energy (eV)280 285 290 295 300 Normalized absorption Measured ModeledStep functionfigure 17.2. Carbon NEXAFS spectrum of NOM from the Suwannee River (IHSS standard humic acid mounted on indium foil; total electron yield using a dwell time of 200 msec and an exit slit of 50 µm, calibrated to CO at 287.38 eV, Canadian Light Source SgM beamline 11-ID.1) to show pre-edge features and the so-called "edge". The spectrum is deconvoluted using a series of gaussian curves (g) at energy positions of known transitions, along with a step function at the edge as described by .

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Innershell Absorption Spectroscopy of Amino Acids at All Relevant Absorption Edges

Cited by 161 publications

References 16 publications

Selectivity in fragmentation of N-methylacetamide after resonant K-shell excitation

Selectivity in fragmentation of N-methylacetamide after resonant K-shell excitation

Functional Materials - Syntheses, Characterisation and Catalytic Applications

Synchrotron‐Based Near‐Edge X‐Ray Spectroscopy of Natural Organic Matter in Soils and Sediments

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