Publications

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Johansson, H., Zettergren, H., Holm, A., Schmidt, H. T., Haag, N., Cederquist, H., Nielsen, S. B., Wyer, J. A., Kirketerp, M.-BS., Støchkel, K. & Hvelplund, P. (2011). Unimolecular dissociation of anthracene and acridine cations: The importance of isomerization barriers for the C H loss and HCN loss channels. Journal of Chemical Physics, 135(8). https://doi.org/10.1063/1.3626792

Wyer, J. & Nielsen, S. B. (2010). Absorption in the Q-band region by isolated ferric heme⁺ and heme⁺(histidine) in vacuo. Journal of Chemical Physics, 133(8), 084306. https://doi.org/10.1063/1.3474998

Kirketerp, M.-B. S. & Nielsen, S. B. (2010). Absorption spectrum of isolated tris(2,2'-bipyridine)ruthenium(II) dications in vacuo. International Journal of Mass Spectrometry, 297(1-3), 63-66. https://doi.org/10.1016/j.ijms.2010.05.019

Ard, S., Mirsaleh-Kohan, N., Steill, J. D., Oomens, J., Nielsen, S. B. & Compton, R. N. (2010). Dissociation of dicarboxylate and disulfonate dianions. Journal of Chemical Physics, 132(9), 094301. https://doi.org/10.1063/1.3292577

Kirketerp, M.-B. S., Petersen, M. Å., Wanko, M., Zettergren, H., Rubio, A., Nielsen, M. B. & Nielsen, S. B. (2010). Double-Bond versus Triple-Bond Bridges: Does it Matter for the Charge-Transfer Absorption by Donor-Acceptor Chromophores? ChemPhysChem, 11(12), 2495-2498. https://doi.org/10.1002/cphc.201000464

Jensen, C. S., Wyer, J. & Nielsen, S. B. (2010). Electron capture induced dissociation of dipeptide dications: where does the charge go? Physical Chemistry Chemical Physics, 12(40), 12961-12963. https://doi.org/10.1039/c0cp00592d

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

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

Støchkel, K., Wyer, J., Kirketerp, M.-B. S. & Nielsen, S. B. (2010). Laser Pump-Probe Experiments on Microsecond to Millisecond Timescales at an Electrostatic Ion Storage Ring: Triplet-Triplet Absorption by Protoporphyrin-IX Anions. Journal of The American Society for Mass Spectrometry, 21(11), 1884-1888. https://doi.org/10.1016/j.jasms.2010.07.004

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

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

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

Turecek, F., Chung, T. W., Moss, C. L., Wyer, J., Ehlerding, A., Holm, A. I. S., Zettergren, H., Nielsen, S. B., Hvelplund, P., Chamot-Rooke, J., Bythell, B. & Paizs, B. (2010). The Histidine Effect. Electron Transfer and Capture Cause Different Dissociations and Rearrangements of Histidine Peptide Cation-Radicals. Journal of the American Chemical Society, 132(31), 10728-10740. https://doi.org/10.1021/ja907808h

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

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

Kirketerp, M.-B. S., Petersen, M. Å., Wanko, M., Leal, L. A. E., Zettergren, H., Raymo, F., Rubio, A., Nielsen, M. B. & Nielsen, S. B. (2009). Absorption Spectra of 4-Nitrophenolate Ions Measured in Vacuo and in Solution. ChemPhysChem, 10(8), 1207-1209. https://doi.org/10.1002/cphc.200900174

Turecek, F., Panja, S., Wyer, J., Ehlerding, A., Zettergren, H., Nielsen, S. B., Hvelplund, P., Bythell, B. & Paizs, B. (2009). Carboxyl-Catalyzed Prototropic Rearrangements in Histidine Peptide Radicals upon Electron Transfer: Effects of Peptide Sequence and Conformation. Journal of the American Chemical Society, 131(45), 16472-16487. https://doi.org/10.1021/ja9050229

Zettergren, H., Adoui, L., Bernigaud, V., Cederquist, H., Haag, N., Holm, A. I. S., Huber, B., Hvelplund, P., Johansson, H., Kadhane, U., Koefoed-Larsen, M., Liu, B., Manil, B., Nielsen, S. B., Panja, S., Rangama, J., Reinhed, P., Schmidt, H. & Støchkel, K. (2009). Electron-Capture-Induced Dissociation of Microsolvated Di- and Tripeptide Monocations: Elucidation of Fragmentation Channels from Measurements of Negative Ions. ChemPhysChem, 10(9-10), 1619-1623. https://doi.org/10.1002/cphc.200800782

Nielsen, L. M., Holm, A. I. S., Varsano, D., Kadhane, U., Hoffmann, S. V., Di Felice, R., Rubio, A. & Nielsen, S. B. (2009). Fingerprints of Bonding Motifs in DNA Duplexes of Adenine and Thymine Revealed from Circular Dichroism: Synchrotron Radiation Experiments and TDDFT Calculations. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 113, 9614-9619. https://doi.org/10.1021/jp9032029

Wyer, J., Feketeová, L., Nielsen, S. B. & O'Hair, R. A. J. (2009). Gas phase fragmentation of protonated betaine and its clusters. Physical Chemistry Chemical Physics, (11), 8752-8758. https://doi.org/10.1039/b909653a

Sundén, A. E. K., Støchkel, K., Panja, S., Kadhane, U., Hvelplund, P., Nielsen, S. B., Zettergren, H., Dynefors, B. & Hansen, K. (2009). Heat capacities of freely evaporating charged water clusters. Journal of Chemical Physics, 130, 224308. https://doi.org/10.1063/1.3149784

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

Kadhane, U., Andersen, J. U., Bonderup, E., Concina, B. J. M. F., Hvelplund, P., Kirketerp, M.-B. S., Liu, B., Nielsen, S. B., Panja, S., Rangama, J., Støchkel, K., Tomita, S., Zettergren, H., Hansen, K., Sundén, A. E. K., Canton, S. E., Echt, O. & Forster, J. S. (2009). Near-infrared photoabsorption by C₆₀ dianions in a storage ring. Journal of Chemical Physics, 131(014301). https://doi.org/10.1063/1.3149775

Byskov, C. S., Holm, A. I. S., Zettergren, H., Overgaard, J. B., Hvelplund, P. & Nielsen, S. B. (2009). On the Charge Partitioning Between c and z Fragments Formed After Electron-Capture Induced Dissociation of Charge-Tagged Lys-Lys and Ala-Lys Dipeptide Dications. Journal of The American Society for Mass Spectrometry, 20(10), 1881-1889. https://doi.org/10.1016/j.jasms.2009.06.015

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

Wyer, J., Cederquist, H., Haag, N., Huber, B., Hvelplund, P., Johansson, H., Maisonny, R., Nielsen, S. B., Rangama, J., Rousseau, P. & Schmidt, H. (2009). On the hydrogen loss from protonated nucleobases after electronic excitation or collisional electron capture. European Journal of Mass Spectrometry, 15(6), 681-688. https://doi.org/10.1255/ejms.1039

Lykkegaard, M. K., Zettergren, H., Kirketerp, M.-B. S., Ehlerding, A., Wyer, J., Kadhane, U. & Nielsen, S. B. (2009). Photodissociation of Isolated Ferric Heme and Heme-His Cations in an Electrostatic Ion Storage Ring. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 113(8), 1440-1444. https://doi.org/10.1021/jp809626v

Kadhane, U., Pérot, M., Lucas, B., Barat, M., Fayeton, J. A., Jouvet, C., Ehlerding, A., Kirketerp, M.-B. S., Nielsen, S. B., Wyer, J. & Zettergren, H. (2009). Photodissociation of protonated tryptamine and its supramolecular complex with 18-crown-6 ether: Dissociation times and channels, absorption spectra, and excited states calculations. Chemical Physics Letters, 480(1-3), 57-61. https://doi.org/10.1016/j.cplett.2009.08.064

Taylor, C. J., Burke, R. M., Wu, B., Panja, S., Nielsen, S. B. & Dessent, C. (2009). Structural characterization of negatively charged glycosaminoglycans using high-enegy (50-150 keV) collisional activation. International Journal of Mass Spectrometry, 285(1-2), 70-77. https://doi.org/10.1016/j.ijms.2009.04.009

Wyer, J., Ehlerding, A., Zettergren, H., Kirketerp, M.-B. S. & Nielsen, S. B. (2009). Tagging of Protonated Ala-Tyr and Tyr-Ala by Crown Ether Prevents Direct Hydrogen Loss and Proton Mobility after Photoexcitation: Importance for Gas-Phase Absorption Spectra, Dissociation Lifetimes, and Channels. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 113(33), 9277-9285. https://doi.org/10.1021/jp904053d

Panja, S., Hvelplund, P., Nielsen, S. B. & Uggerud, E. (2009). The reduction of water clusters H⁺ (H₂O)_n to (OH^-)(H₂O)_m by double electron transfer from Cs atoms. Physical Chemistry Chemical Physics, 11, 6125-6131. https://doi.org/10.1039/b903517f

Turecek, F., Holm, A. I. S., Panja, S., Nielsen, S. B. & Hvelplund, P. (2009). Transition metals as electron traps. II. Structures, energetics and electron transfer dissociations of ternary Co, Ni and Zn-peptide complexes in the gas phase. Journal of Mass Spectrometry, 44(10), 1518-1531. https://doi.org/10.1002/jms.1642

Turecek, F., Jones, J. W., Holm, A. I. S., Panja, S., Nielsen, S. B. & Hvelplund, P. (2009). Transition metals as electron traps. I. Structures, energetics, electron capture, and electron-transfer-induced dissociations of ternary copper-peptide complexes in the gas phase. Journal of Mass Spectrometry, 44(5), 707-724. https://doi.org/10.1002/jms.1546

Støchkel, K., Kadhane, U., Andersen, J. U., Holm, A. I. S., Hvelplund, P., Kirketerp, M.-B. S., Koefoed-Larsen, M., Lykkegaard, M. K., Nielsen, S. B., Panja, S. & Zettergren, H. (2008). A new technique for time-resolved daughter ion mass spectrometry on the microsecond to millisecond time scale using an electrostatic ion storage ring. Review of Scientific Instruments, 79(023107).

Lykkegaard, M. K., Ehlerding, A., Hvelplund, P., Kadhane, U., Kirketerp, M.-B. S., Nielsen, S. B., Panja, S., Wyer, J. & Zettergren, H. (2008). A Soret Marker Band for Four-Coordinate Ferric Heme Proteins from Absorption Spectra of Isolated Fe(lll)-Heme⁺ and Fe(lll)-Heme⁺(His) Ions in Vacuo. Journal of the American Chemical Society, (130), 11856-11857.

Kadhane, U., Holm, A. I. S., Hoffmann, S. V. & Nielsen, S. B. (2008). Effect of the electronic coupling in dinucleotides and oligonucleotides of adenine and thymine from synchrotron radiation absorption and circular dichroism. Journal of Photochemistry and Photobiology, A: Chemistry, 197, 110-114.

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.

Bernigaud, V., Cederquist, H., Haag, N., Holm, A. I. S., Huber, B., Hvelplund, P., Kadhane, U., Larsen, M. K., Manil, B., Nielsen, S. B., Panja, S., Ptasínska, S., Rangama, J., Reinhed, P., Schmidt, H. T., Streletskii, A. V., Støchkel, K., Worm, E. S. & Zettergren, H. (2008). Electron capture-induced dissociation of AK dipeptide dications: Influence of ion velocity, crown-ether complexation and collision gas. International Journal of Mass Spectrometry, 276, 77-81.

Liu, B., Haag, N., Johansson, H., Schmidt, H. T., Cederquist, H., Nielsen, S. B., Zettergren, H., Hvelplund, P., Manil, B. & Huber, B. A. (2008). Electron capture induced dissociation of nucleotide anions in water nanodroplets. Journal of Chemical Physics, 128(075102).

Bernigaud, V., Drenck, K., Huber, B., Hvelplund, P., Jabot, T., Kadhane, U., Kirketerp, M.-B. S., Liu, B., Lykkegaard, M. K., Manil, B. & Nielsen, S. B. (2008). Electron-Capture-Induced Dissociation of Protoporphyrin IX Ions. Journal of The American Society for Mass Spectrometry, 809-813.

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.

Turecek, F., Jones, J. W., Towle, T., Panja, S., Nielsen, S. B., Hvelplund, P. & Paizs, B. (2008). Hidden Histidine Radical Rearrangements upon Electron Transfer to Gas-Phase Peptide Ions.Experimental Evidence and Theoretical Analysis. Journal of the American Chemical Society, 130, 14584-14596.

Panja, S., Nielsen, S. B., Hvelplund, P. & Turecek, F. (2008). Inverse Hydrogen Migration in Arginine-Containing Peptide Ions upon Electron Transfer. Journal of The American Society for Mass Spectrometry, 19, 1726-1742. https://doi.org/10.1016/j.jasms.2008.08.001

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.

Lucas, B., Barat, M., Fayeton, J., Perot, M., Jouvet, C., Grégoire, G. & Nielsen, S. B. (2008). Mechanisms of photoinduced C_α—C_β bond breakage in protonated aromatic amino acids. Journal of Chemical Physics, 128(164302).

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.

Kadhane, U., Andersen, J. U., Ehlerding, A., Hvelplund, P., Kirketerp, M.-B. S., Lykkegaard, M. K., Nielsen, S. B., Panja, S., Wyer, J. & Zettergren, H. (2008). Photodissociation of protonated tryptophan and alteration of dissociation pathways by complexation with crown ether. Journal of Chemical Physics, 129(18), 184304.

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.

Kadhane, U., Holm, A. I. S., Hoffmann, S. V. & Nielsen, S. B. (2008). Strong coupling between adenine nucleobases in DNA single strands revealed by circular dichroism using synchrotron radiation. Physical Review E, 77(021901).

Ryhding, T., Kirketerp, M.-B. S., Kadhane, U., Lykkegaard, M. K., Panja, S., Nielsen, S. B. & Nielsen, M. B. (2008). Upon the intrinsic optical properties of oligo(p-phenyleneethynylene)s (OPEs). Synthesis of OPE3 for experimental gas-phase absorption studies. Tetrahedron, 64, 11475-11479.

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Karin Vittrup