Institut for Fysik og Astronomi

Aarhus Universitets segl

Publications

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Jensen, M. W., Støchkel, K., Kjær, C., Knudsen, J. L., Maltsev, O. V., Hintermann, L., Naumov, P., Milne, B. F. & Nielsen, S. B. (2014). Photoinduced dissociation mass spectroscopy of firefly oxyluciferin anions. International Journal of Mass Spectrometry, 365-366, 3-9. https://doi.org/10.1016/j.ijms.2013.11.012
Hvelplund, P., Liu, B., Nielsen, S. B. & Tomita, S. (2003). Electron capture induced dissociation of peptide dications. Int. J. Mass. Spectrom., 225, 83.
Hvelplund, P., Nielsen, S. B., Sørensen, M., Andersen, J. U. & Jørgensen, T. J. D. (2001). Electron loss from multiply protonated lysozyme ions in high energy collisions with molecular oxygen. J. Am. Soc. Mass Spectrom., 12, 889.
Hvelplund, P., Nielsen, S. B., Panja, S., Poully, J.-C., Støchkel, K. & Liu, B. (2007). Electron capture induced dissociation of peptide ions: Identification of neutral fragments from secondary collisions with cesium vapor. International Journal of Mass Spectrometry, 263, 66-70.
Hvelplund, P., Lui, B., Nielsen, S. B. & Tomita, S. (2007). Formation of higher-order fullerene dianions in collisions with Na atoms. The European Physical Journal D: Atomic, Molecular, Optical and Plasma Physics, 43, 133-136.
Hvelplund, P., Nielsen, S. B., Panja, S., Pepke Pedersen, J. O. & Uggerud, E. (2009). On the existence of the hypervalent H30, H2D0, HD20, and D30 radicals. International Journal of Mass Spectrometry, 281(1-2), 52-54. https://doi.org/10.1016/j.ijms.2008.12.004
Hvelplund, P., Kurten, T., Støchkel, K., Ryding, M. J., Nielsen, S. B. & Uggerud, E. (2010). Stability and Structure of Protonated Clusters of Ammonia and Water, H+(NH3)m (H2O)n. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 114(27), 7301-7310. https://doi.org/10.1021/jp104162k
Hvelplund, P., Kadhane, U., Nielsen, S. B., Panja, S. & Støchkel, K. (2010). On the formation of water-containing negatively charged clusters from atmospheric pressure corona discharge in air. International Journal of Mass Spectrometry, 292(1-3), 48-52. https://doi.org/10.1016/j.ijms.2010.02.014
Houmøller, J., Kaufman, S. H., Støchkel, K., Tribedi, L. C., Brøndsted Nielsen, S. & Weber, J. M. (2013). On the Photoabsorption by Permanganate Ions in Vacuo and the Role of a Single Water Molecule. New Experimental Benchmarks for Electronic Structure Theory. ChemPhysChem, 14(6), 1133-1137. https://doi.org/10.1002/cphc.201300019
Houmøller, J., Wanko, M., Støchkel, K., Rubio, A. & Nielsen, S. B. (2013). On the effect of a single solvent molecule on the charge-transfer band of a donor-acceptor anion. Journal of the American Chemical Society, 135(18), 6818-6821. https://doi.org/10.1021/ja4025275
Houmøller, J., Wanko, M., Rubio, A. & Nielsen, S. B. (2015). Effect of a Single Water Molecule on the Electronic Absorption by o- and p-Nitrophenolate: A Shift to the Red or to the Blue? Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 119(47), 11498-503. https://doi.org/10.1021/acs.jpca.5b08634
Holm, A. I. S., Worm, E. S., Chakraborty, T., Babu, B. R., Wengel, J., Hoffmann, S. V. & Nielsen, S. B. (2007). On the influence of conformational locking of sugar moieties on the absorption and circular dichroism of nucleosides from synchrotron radiation experiments. Journal of Photochemistry and Photobiology, A: Chemistry, 187, 293-298.
Holm, A. I. S., Hvelplund, P., Kadhane, U., Larsen, M. K., Lui, B., Nielsen, S. B., Panja, S., Pedersen, J. M., Skrydstrup, T., Støchkel, K., Williams, E. & Worm, E. S. (2007). On the Mechanism of Electron-Capture-Induced Dissociation of Peptide Dications from 15N-Labeling and Crown-Ether Complexation. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 111, 9641-9643.
Holm, A. I. S., Worm, E. S., Kadhane, U., Chakraborty, T., Hoffmann, S. V. & Nielsen, S. B. (2007). Synchrotron radiation circular dichroism of DNA single strands and hybrids. Asian Chem. Lett., 11(3 & 4), 225-230.
Holm, A. I. S., Larsen, M. K., Panja, S., Hvelplund, P., Nielsen, S. B., Leib, R. D., Donald, W. A., Williams, E., Hao, C. & Turecek, F. (2008). Electron capture, femtosecond electron transfer and theory: A study of noncovalent crown ether 1,n-diammonium alkane complexes. International Journal of Mass Spectrometry, (276), 116-126.
Holm, A. I. S., Donald, W. A., Hvelplund, P., Larsen, M. K., Nielsen, S. B. & Williams, E. R. (2008). Investigation of Energy Deposited by Femtosecond Electron Transfer in Collisions Using Hydrated Ion Nanocalorimetry. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 112, 10721-10727.
Holm, A. I. S., Kohler, B., Hoffmann, S. V. & Nielsen, S. B. (2010). Synchrotron Radiation Circular Dichroism of Various G-Quadruplex Structures. Biopolymers, 93(5), 429-433. https://doi.org/10.1002/bip.21354
Holm, A., Nielsen, L. M., Kohler, B., Hoffmann, S. V. & Nielsen, S. B. (2010). Electronic coupling between cytosine bases in DNA single strands and i-motifs revealed from synchrotron radiation circular dichroism experiments. Physical Chemistry Chemical Physics, 12(14), 3426-3430. https://doi.org/10.1039/b924076d
Holm, A., Nielsen, L. M., Hoffmann, S. V. & Nielsen, S. B. (2010). Vacuum-ultraviolet circular dichroism spectroscopy of DNA: a valuable tool to elucidate topology and electronic coupling in DNA. Physical Chemistry Chemical Physics, 12(33), 9581-9596. https://doi.org/10.1039/c003446k
Holm, A. I. S., Hvelplund, P., Kadhane, U., Larsen, M. K., Liu, B., Nielsen, S. B., Panja, S., Pedersen, J. M., Skrydstrup, T., Støchkel, K., Williams, E. R. & Worm, E. S. (2007). On the mechanism of electron-capture-induced dissociation of peptide dications from 15n-labeling and crown-ether complexation. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 111(39), 9641-3. https://doi.org/10.1021/jp075943y
Holm, A., Nielsen, L. M., Hoffmann, S. V. & Nielsen, S. B. (2012). On the Formation of the Double Helix Between Adenine Single Strands at Acidic pH from Synchrotron Radiation Circular Dichroism Experiments. Biopolymers, 97(7), 550-557. https://doi.org/10.1002/bip.22038
Hayakawa, S., Matsubara, H., Panja, S., Hvelplund, P., Nielsen, S. B., Chen, X. & Turecek, F. (2008). Experimental Evidence for an Inverse Hydrogen Migration in Arginine Radicals. Journal of the American Chemical Society, 130, 7645-7654.
Hansen, K., Byskov, C. S. & Nielsen, S. B. (2017). Energy flow in peptides after UV photoexcitation of backbone linkages. Physical Chemistry Chemical Physics, 19(30), 19640-19645. https://doi.org/10.1039/c7cp01768e
Hansen, K., Sundén, A. E. K., Støchkel, K., Nielsen, S. B. & Dynefors, B. (2019). Non-scrambling of hydrogen in NH4+(H2O)3 clusters. RSC Advances, 9(12), 6620-6626. https://doi.org/10.1039/c8ra10515d
Haag, N., Holm, A., Johansson, H. A. B., Zettergren, H., Schmidt, H. T., Nielsen, S. B., Hvelplund, P. & Cederquist, H. (2010). Electron capture induced dissociation of doubly protonated pentapeptides: Dependence on molecular structure and charge separation. Journal of Chemical Physics, 134(3), 035102-1 - 035102-6. https://doi.org/10.1063/1.3533952
Gruber, E., Kjær, C., Nielsen, S. B. & Andersen, L. H. (2019). Intrinsic Photophysics of Light-harvesting Charge-tagged Chlorophyll a and b Pigments. Chemistry - A European Journal, 25(39), 9153-9158. https://doi.org/10.1002/chem.201901786
Gruber, E., Teiwes, R., Kjær, C., Brøndsted Nielsen, S. & Andersen, L. H. (2022). Tuning fast excited-state decay by ligand attachment in isolated chlorophylla. Physical Chemistry Chemical Physics, 24(1), 149-155. https://doi.org/10.1039/d1cp04356k
Greis, K., Lindkvist, T. T., Schreivogel, M., Djavani-Tabrizi, I., Molina, F., Nielsen, S. B. & Zenobi, R. (2026). Thiazole Orange Fluoresces Freely: No Rigid Environment Required. The Journal of Physical Chemistry Letters, 17(30), 8643-8647. https://doi.org/10.1021/acs.jpclett.6c02059
Giacomozzi, L., Kjaer, C., Knudsen, J. L., Andersen, L. H., Nielsen, S. B. & Stockett, M. H. (2018). Absorption and luminescence spectroscopy of mass-selected flavin adenine dinucleotide mono-anions. Journal of Chemical Physics, 148(21), Artikel 214309. https://doi.org/10.1063/1.5024028
Giacomozzi, L., Kjær, C., Brøndsted Nielsen, S., Ashworth, E. K., Bull, J. N. & Stockett, M. H. (2021). Non-statistical fragmentation in photo-activated flavin mononucleotide anions. Journal of Chemical Physics, 155(4), Artikel 044305. https://doi.org/10.1063/5.0056415
Feketeová, L., Khairallah, G. N., O'Hair, R. A. J. & Nielsen, S. B. (2015). Gas-phase fragmentation of deprotonated tryptophan and its clusters [Trpn-H]-induced by different activation methods. Rapid Communications in Mass Spectrometry, 29(15), 1395-1402. https://doi.org/10.1002/rcm.7233
Elm, J., Stockett, M., Houmøller, J., Petersen, M. Å., Mikkelsen, K. V., Nielsen, M. B. & Nielsen, S. B. (2015). Gas-phase spectroscopy of a vinylheptafulvene chromophore. European Journal of Mass Spectrometry, 21, 569-577. https://doi.org/10.1255/ejms.1320
El Ghazaly, M. O. A., Svendsen, A., Bluhme, H., Nielsen, S. B. & Andersen, L. H. (2005). Electron scattering on p-benzoquinone anions. Chemical Physics Letters, 405, 278-281.
El Ghazaly, M. O. A., Svendsen, A., Bluhme, H., Nielsen, A. B., Nielsen, S. B. & Andersen, L. H. (2004). Electron Scattering on Centrosymmetric Molecular Dianions Pt(CN)42-and Pt(CN)62-. Physical Review Letters, 93(20), 214112-1.
Ejsing, A. M. & Nielsen, S. B. (2007). Computational study on the negative electron affinities of NO2-(H2O)n clusters (n = 0 – 30). Journal of Chemical Physics, 126, 154313.
Ehlerding, A., Jensen, C. S., Wyer, J., Holm, A. I. S., Jørgensen, P., Kadhane, U., Koefoed-Larsen, M., Panja, S., Poully, J. C., Worm, E. S., Zettergren, H., Hvelplund, P. & Nielsen, S. B. (2009). Influence of temperature and crown ether complex formation on the charge partitioning between z and c fragments formed after electron capture by small peptide dications. International Journal of Mass Spectrometry, 282(1-2), 21-27. https://doi.org/10.1016/j.ijms.2009.01.019
Ehlerding, A., Wyer, J., Zettergren, H., Kirketerp, M.-B. S. & Nielsen, S. B. (2010). UV Photodissociation of protonated Gly-Trp and Trp-Gly Dipeptides and Their Complexes with Crown Ether in an Electrostatic Ion Storage Ring. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 114, 299-303. https://doi.org/10.1021/jp9086317
Edwards, D. C., Nielsen, S. B., Andrzej, A. J., Spiro, T. G. & Satish, C. B. M. (2005). Experimental and theoretical vibrational spectroscopy studies of acetohydroxamic acid and desferrioxamine B in aqueous solution: Effects of pH and iron complexation. Geochim. & Cosmochim. Acta, 69(13), 3237.
Drenck, K., Hvelplund, P., McKenzie, C. J. & Nielsen, S. B. (2005). Identification of the short-lived Au(N3)42- dianion from its Coulomb explosion products. International Journal of Mass Spectrometry, 244, 144.
Drenck, K., Hvelplund, P., Nielsen, S. B., Panja, S. & Støchkel, K. (2008). On the formation and fragmentation of nitrate in mixed clusters using atmospheric pressure corona discharge in air. International Journal of Mass Spectrometry, 273, 126-131.
Drenck, K., Jensen, F., Olsen, J. & Nielsen, S. B. (2008). Stability of the three tetracoordinated dianions Ni(CN)2-4 , Cr(SCN)2-4 , and Cu(N3)2-4     . Chemical Physics, 353, 189-192.
Djavani-Tabrizi, I., Lindkvist, T. T., Langeland, J., Kjær, C., Graham, M., Kjaergaard, H. G. & Nielsen, S. B. (2024). Tautomer-Selective Fluorescence Spectroscopy of Oxyluciferin Anions. Journal of the American Chemical Society, 146(39), 26975-26982. https://doi.org/10.1021/jacs.4c08596
Djavani-Tabrizi, I., Yuan, Z., Lindkvist, T. T., Xing, J., Chen, L. & Nielsen, S. B. (2025). Gas-Phase Fluorescence Excitation Experiments on Cryogenically Cold Rhodamine B Cations Linked to Various Amino Acid Esters. Journal of The American Society for Mass Spectrometry, 36(2), 409-415. https://doi.org/10.1021/jasms.4c00469
Djavani-Tabrizi, I., Lindkvist, T. T., Johansen, K. B. & Nielsen, S. B. (2026). Freezing out structural effects: strong dye–dye couplings in gaseous rhodamine dimers at cryogenic temperatures. Physical Chemistry Chemical Physics, 28(2), 1222-1229. https://doi.org/10.1039/d5cp03859f
Djavani-Tabrizi, I., Lindkvist, T. T., Otzen, D. E. & Nielsen, S. B. (2026). When motion slows: intrinsic photophysics of thioflavin T and X cations at cryogenic temperatures. Physical Chemistry Chemical Physics, 28(18), 11181-11186. https://doi.org/10.1039/d6cp00731g
Coyle, C. M., Puranik, M., Youn, P., Nielsen, S. B., Williams, R. D., Kerby, R. L., Roberts, G. P. & Spiro, T. G. (2003). Activation mechanism of the CO sensor CooA. Journal of Biological Chemistry, 278(37), 35384.
Coughlan, N. J. A., Stockett, M. H., Kjær, C., Ashworth, E. K., Bulman Page, P. C., Meech, S. R., Brøndsted Nielsen, S., Blancafort, L., Hopkins, W. S. & Bull, J. N. (2021). Action spectroscopy of the isolated red Kaede fluorescent protein chromophore. Journal of Chemical Physics, 155(12), Artikel 124304. https://doi.org/10.1063/5.0063258
Concina, B., Hvelplund, P., Nielsen, A. B., Nielsen, S. B., Rangama, J., Liu, B. & Tomita, S. (2006). Formation and stability of charged amino acid clusters and the role of chirality. J Am Soc Mass Sprectrom, 17, 275-279.
Christensen, M. A., Della Pia, E. A., Houmøller, J., Thomsen, S. D., Wanko, M., Bond, A. D., Rubio, A., Nielsen, S. B. & Nielsen, M. B. (2014). Cross-Conjugation vs. Linear Conjugation in Donor–Bridge–Acceptor Nitrophenol Chromophores. European Journal of Organic Chemistry, 2014(10), 2044-2052. https://doi.org/10.1002/ejoc.201301642
Chakraborty, T., Holm, A. I. S., Hvelplund, P., Nielsen, S. B., Poully, J.-C. & Worm, E. S. (2006). On the survival of peptide cations after electron capture: Role of internal hydrogen bonding and microsolvation. J. Am. Soc. Mass Spectrom., 17, 1675-1689.

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Revideret 29.01.2024
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Karin Vittrup