Publikationer

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Publikationer fra Institut for Kemi

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Turba, S., Walther, O., Schindler, S., Preuss Nielsen, L., Hazell, A. C., McKenzie, C., Lloret, F., Cano, J. & Julve, M. (2008). Syntheses, Structures, and Properties of Copper(II) Complexes of Bis(2-pyridylmethyl) Derivatives of o-, m-, and p-Phenylenediamine and Aniline. Inorganic Chemistry, 47(20), 96129623.

Leth, K. T., Rovik, A. K., Holm, M. S., Brorson, M., Jakobsen, H. J., Skibsted, J. & Christensen, C. H. (2008). Synthesis and characterization of conventional and mesoporous Ga-MFI for ethane dehydrogenation. Applied Catalysis A: General, 348, 257-265.

Stanchev, S., Jensen, F. & Manolov, I. (2008). Synthesis and DFT study of the spectral behavior of new 4-hydroxycoumarins. International Journal of Quantum Chemistry, (108), 1340-1351. https://doi.org/10.1002/qua.21628

Sezgin, A., Bozkurt, A., Baykal, A., Akbey, U., Hansen, M. R. & Graf, R. (2008). Synthesis and NMR studies of the polymer membranes based on poly(4-vinylbenzylboronic acid) and phosphoric acid. Polymer, 49(18), 3859-3864. https://doi.org/10.1016/j.polymer.2008.07.002

Stanchev, S., Momekov, G., Jensen, F. & Manolov, I. (2008). Synthesis, Computational Study and Cytotoxic Activity of new 4-Hydroxycoumarin Derivatives. European Journal of Medicinal Chemistry, (43), 694-706. https://doi.org/10.1002/chin.200835132

Gunnlaugsson, H. P., Holstein-Rathlau, C., Merrison, J. P., Jensen, S. K., Lange, C. F., Larsen, S. E., Madsen, M. B., Nørnberg, P., Bechtold, H. K., Hald, E., Iversen, J. J., Lange, P., Lykkegaard, F., Rander, F., Lemmon, M., Renno, N., Taylor, P. & Smith, P. (2008). Telltale wind indicator for the Mars Phoenix lander. Journal of Geophysical Research: Planets, 113, E00A04/1-E00A04/6.

Overgaard, J., Timco, G. A. & Larsen, F. K. (2008). Tetrakis(μ-pivalato-κ²O:O')bis[(2-methylpyridine-κN)iron(II)](Fe-Fe). Acta Crystallographica Section E: Structure Reports Online, 64(3), 497-497. https://doi.org/10.1107/S1600536808005102

Johansson, M. P., Lechtken, A., Schooss, D., Kappes, M. M. & Furche, F. (2008). The 2D–3D Transition of Gold Cluster Anions Resolved. Physical Review A, 77, 053202/1–7. https://doi.org/10.1103/PhysRevA.77.053202

Kaminsky, J., Jensen, F., Mata, R. A. & Werner, H.-J. (2008). The Accuracy of Local MP2 Methods for Conformational Energies. Molecular Physics, (106), 1899-1906. https://doi.org/10.1080/00268970802360355

Høst, S., Olsen, J., Jansik, B., Thøgersen, L., Jørgensen, P. & Helgaker, T. (2008). The augmented Roothaan-Hall method for optimizing Hartree-Fock and Kohn-Sham density matrices. Journal of Chemical Physics, 129, 124106.

Jensen, F. (2008). The Basis Set Convergence of Nuclear Magnetic Shielding Constants Calculated by Density Functional Methods. Journal of Chemical Theory and Computation, (4), 719-727. https://doi.org/10.1021/ct800013z

Anand, K., Pallares, I., Valnickova, Z., Christensen, T., Vendrell, J., Wendt, K. U., Schreuder, H. A., Enghild, J. J. & Avilés, F. X. (2008). The crystal structure of TAFI provides the structural basis for its intrinsic activity and the short half-life of TAFIa. Journal of Biological Chemistry. https://doi.org/10.1074/jbc.M804003200

Petersen, S. V., Kristensen, T., Petersen, J. S., Ramsgaard, L., Oury, T., Crapo, J., Nielsen, N. C. & Enghild, J. J. (2008). The folding of human active and inactive extracellular superoxide dismutase is an intracellular event. Journal of Biological Chemistry, 283(22), 15031. https://doi.org/10.1074/jbc.M801548200

Petersen, S. V., Kristensen, T., Petersen, J. S., Ramsgaard, L., Oury, T. D., Crapo, J. D., Nielsen, N. C. & Enghild, J. J. (2008). The folding of human aEC-sod and iEC-sod is an intracellular event. Journal of Biological Chemistry.

Hegelund, F., Larsen, R. W. & Palmer, M. H. (2008). The high-resolution infrared spectrum of pyrrole between 900 and 1500 cm(-1) revisited. Journal of Molecular Spectroscopy, 252(1), 93-97.

Hegelund, F., Wugt Larsen, R. & Palmer, M. H. (2008). The high-resolution infrared spectrum of thiophene between 600 and 1200 cm-1: A spectroscopic and theoretical study of the fundamental bands nu6, nu7, nu13, and the c-Coriolis interacting dyad nu5,nu19. Journal of Molecular Spectroscopy, 247, 100-114.

Christensen, M. L. & Hinge, M. (2008). The influence of creep on cake solid volume fraction during filtration of core-shell particles. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 320, 227-232.

Christensen, A. N., Jensen, T. R., Lebech, B., Hanson, J. C., Jakobsen, H. J. & Skibsted, J. (2008). Thermal decomposition of monocalcium aluminate decahydrate (CaAl₂O₄.10H₂O) investigated by in-situ synchrotron X-ray powder diffraction, thermal analysis and ²⁷Al, ²H MAS NMR spectroscopy. Dalton Transactions , 455-462.

Pedersen, B. L. & Iversen, B. B. (2008). Thermally stable thermoelectric Zn₄Sb₃ by zone-melting synthesis. Applied Physics Letters, 92, 161907-1-3.

Baptista, R. P., Pedersen, S. H., Cabrita, G. J. M., Otzen, D., Cabral, J. M. & Melo, E. P. (2008). Thermodynamics and mechanism of cutinase stabilization by trehalose. Biopolymers, 89, 538-547.

Wendt, S., Sprunger, P., Lira, E., Madsen, G. K. H., Li, Z., Hansen, J. Ø., Matthiesen, J., Blekinge-Rasmussen, A., Lægsgaard, E., Hammer, B. & Besenbacher, F. (2008). The Role of Interstitial Sites in the Ti3d Defect State in the Band Gap of Titania. Science, 320, 1755-1759. https://doi.org/10.1126/science.1159846

Pedersen, M. Ø., Underhaug, J., Dittmer, J., Miller, M. & Nielsen, N. C. (2008). The three-dimensional structure of CsmA: A small antenna protein from the green sulfur bacterium Chlorobium tepidum. FEBS Letters, 582(19), 2869-2874. https://doi.org/10.1016/j.febslet.2008.07.020

Sanggaard, K. W., Sonne-Schmidt, C. S., Hansen, T. P. K., Lorentzen, K. A., Wisniewski, H.-G., Thøgersen, I. B. & Enghild, J. J. (2008). The transfer of heavy chains from bikunin proteins to hyaluronan requires both TSG-6 and HC2. Journal of Biological Chemistry, 283(27), 18530-18537. https://doi.org/10.1074/jbc.M800874200

Karolchik, D., Kuhn, R. M., Baertsch, R., Barber, G. P., Clawson, H., Diekhans, M., Giardine, B., Harte, R. A., Hinrichs, A. S., Hsu, F., Kober, K. M., Miller, W., Pedersen, J. S., Pohl, A., Raney, B. J., Rhead, B., Rosenbloom, K. R., Smith, K. E., Stanke, M. ... Pedersen, J. S. (2008). The UCSC Genome Browser Database: 2008 update. Nucleic Acids Research, 36(Database issue), D773-9. https://doi.org/10.1093/nar/gkm966

Hazell, A. C., Mønsted, O., Rasmussen, J. C. & Toftlund, H. (2008). Three overcrowded zinc(II) complexes with potentially hexadentate polypyridyl ligands. Acta Crystallographica Section C: Crystal Structure Communications, 64, 185-189.

Riello, P., Mattiazzi, M., Pedersen, J. S. & Benedetti, A. (2008). Time-resolved in situ small-angle X-ray scattering study of silica particle formation in nonionic water-in-oil microemulsions. Langmuir, 24, 5225-5228.

Hatz, S., Poulsen, L. & Ogilby, P. R. (2008). Time-Resolved Singlet Oxygen Phosphorescence Measurements from Photosensitized Experiments in Single Cells: The Effects of Oxygen Diffusion and Oxygen Concentration. Photochemistry and Photobiology, 84, 1284-1290.

Johansson, M. P. & Olsen, J. (2008). Torsional Barriers and Equilibrium Angle of Biphenyl: Reconciling Theory with Experiment. Journal of Chemical Theory and Computation, 4, 1460-1471. https://doi.org/10.1021/ct800182e

Sharma, J., Chhabra, R., Andersen, C. S., Gothelf, K. V., Yan, H. & Liu, Y. (2008). Toward Reliable Gold Nanoparticle Patterning On Self-Assembled DNA Nanoscaffold. Journal of the American Chemical Society, 130, 7820-7821.

Seidler, P., Hansen, M. B. & Christiansen, O. (2008). Towards fast computations of correlated vibrational wave functions: Vibrational coupled cluster response excitation energies at the two-mode coupling level. Journal of Chemical Physics, 128, 154113.

Nielsen, N. C. & Khaneja, N. (2008). Triple Oscillating Field Technique for Accurate Distance Measurements by Solid-State NMR. Journal of Chemical Physics, 128, 015103.

Sanggaard, K. W., Sonne-Schmidt, C. S., Hansen, T. P. K., Kristensen, T., Wisniewski, H.-G., Thøgersen, I. B. & Enghild, J. J. (2008). TSG-6 transfers proteins between glycosaminoglycans via a Ser28-mediated covalent catalytic mechanism. Journal of Biological Chemistry, 283(49), 33919-26. https://doi.org/10.1074/jbc.M804240200

Reine, S., Tellgren, E., Krapp, A., Kjærgaard, T., Helgaker, T., Jansik, B., Høst, S. & Salek, P. (2008). Variational and robust density fitting of four-center two-electron integrals in local metrics. Journal of Chemical Physics, 129, 104101.

Hansen, M. B., Toffoli, D., Christiansen, O. & Kongsted, J. (2008). Vibrational contributions to indirect spin-spin coupling constants calcualted via variational anharmoic approaches. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 112, 8436-8445.

Nielsen, N. C., Nielsen, J. T. & Tosner, Z. (2008). When proteins aggregate. I The Villum Kann Rasmussen Foundation and Velux Foundation Annual Report 2008

Duelund, L., Hazell, A. C. & Toftlund, H. (2007). (1,1,1-Tris{[N-(2-pyridylmethyl)-N-methylamino]-methyl}ethane-κ⁶N)manganese(II) bis(perchlorate). Acta Crystallographica Section E: Structure Reports Online, 63, 1177-1178.

Hazell, A. C. & Toftlund, H. (2007). {2,6-Bis[bis(2-pyridylmethyl)aminomethyl]-pyridine}cobalt(II) bis(perchlorate) 0.365-hydrate. Acta Crystallographica Section E: Structure Reports Online, 63, 326-327.

Hazell, A. C. & Toftlund, H. (2007). {2,6-Bis[bis(2-pyridylmethyl)aminomethyl]pyridine}manganese(II) bis(perchlorate) 0.435-hydrate. Acta Crystallographica Section E: Structure Reports Online, 63, 328-329.

Bertelsen, K., Pedersen, J. M., Nielsen, N. C. & Vosegaard, T. (2007). 2D separated-local field spectra from projections of 1D experiments. Journal of Magnetic Resonance, 184, 330-6.

Sivertsen, A. C., Gasior, M., Bjerring, M., Hansen, S. U., Lopez, O. L., Nielsen, N. C. & Bols, M. (2007). Active Site Protonation of 1-Azafagomine in Glucosidases Studied by Solid-State NMR Spectroscopy. European Journal of Organic Chemistry, 1735-1742. https://doi.org/10.1002/ejoc.200600816

Jakobsen, H. J., Hove, A. R., Bildsøe, H. K., Skibsted, J. & Brorson, M. (2007). Advancements in natural abundance solid-state ³³S MAS NMR: characterization of transition-metal M=S bonds in ammonium tetrathiometallates. Chemical Communications, 1629-1631.

Stubkjær, J., Wåhlin, P., Olesen, H. R., Ketzel, M., Bossi, R., Palmgren, F. & Glasius, M. (2007). Air pollution from domestic wood combustion. I Conference proceedings of NOSA Aerosol Symposium, Helsingør, Denmark, 8-9 November, 2007 in connection with NMR workshop "Organic particles in Nordic urban areas" 7 November 2007: Available at http://www.dmu.dk/nosa2007 (s. 96)

Kumarappan, V., Viftrup, S., Holmegaard, L., Bisgaard, C. & Stapelfeldt, H. (2007). Aligning molecules with long or short laser pulses. Physica Scripta, 76, C63-C68.

Nielsen, C. K. & Keiding, S. R. (2007). All-fiber mode-locked fiber laser. Optics Letters, 32(11), 1474-76.

Otzen, D., Sehgal, P. & Nesgaard, L. (2007). Alternative membrane protein conformations in alcohol. Biochemistry, (46), 4348-4359.

Larsen, P., Dueholm, M. S., Christiansen, G., Nielsen, J. L., Otzen, D. & Nielsen, P. H. (2007). Amyloid adhesins are abundant in natural biofilms. Env. Microbiol., (9), 3077-3090.

Hansen, J. A., Sumbayev, V. V. & Gothelf, K. V. (2007). An Electrochemical Sensor Based On The Human Estrogen Receptor Ligand Binding Domain. Nano Lett., 7, 2831-2834.

Carlone, A., Cabrera, S., Marigo, M. & Jørgensen, K. A. (2007). A New Approach for an Organocatalytic Multicomponent-Domino Asymmetric Reaction. Angewandte Chemie International Edition, 46, 1101.

Johnsen, S., Thomsen, B., Christensen, M., Madsen, G., Nygren, M. & Iversen, B. B. (2007). An exploration of noble metal substitution in germanium based clathrates. International Conference on Thermoelectrics, 219-222.

Cabrera, S., Aleman, J., Bolze, P., Bertelsen, S. & Jørgensen, K. A. (2007). An Unexpected Organocatalytic Tandem Michael-Morita-Baylis-Hilmann Reaction. Angewandte Chemie International Edition, 46.

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Institut for Kemi