Anders Østergaard Madsen

Anders Østergaard Madsen

Associate Professor


  1. 2023
  2. Published

    13C NMR Chemical Shifts of Saccharides in the Solid State: A Density Functional Theory Study

    Moustafa, H., Larsen, F. H., Madsen, Anders Østergaard & Sauer, Stephan P. A., 2023, In: Magnetochemistry. 9, 8, 15 p., 192.

    Research output: Contribution to journalJournal articlepeer-review

  3. Published

    Corrigendum to "Polysorbate 80 controls Morphology, structure and stability of human insulin Amyloid-Like spherulites" [J. Colloid Interface Sci. 606(Part 2) (2022) 1928-1939]

    Zhou, X., Galparsoro, D. F., Madsen, Anders Østergaard, Vetri, V., van de Weert, Marco, Nielsen, Hanne Mørck & Foderà, Vito, 2023, In: Journal of Colloid and Interface Science. 640, p. 917

    Research output: Contribution to journalJournal articlepeer-review

  4. Published

    The structure of magnesium stearate trihydrate determined from a micrometre-sized single crystal using a microfocused synchrotron X-ray beam

    Herzberg, M., Rekis, T., Støttrup Larsen, A., Gonzalez, A., Rantanen, Jukka & Madsen, Anders Østergaard, 2023, In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 79, p. 330-335

    Research output: Contribution to journalJournal articlepeer-review

  5. Published

    Unveiling polyamorphism and polyamorphic interconversions in pharmaceuticals: the peculiar case of hydrochlorothiazide

    Batista Martins, Inês Catarina, Larsen, A. S., Madsen, Anders Østergaard, Aalling-Frederiksen, Olivia, Correia, A., Jensen, Kirsten Marie Ørnsbjerg, Jeppesen, H. S. & Rades, Thomas, 2023, In: Chemical Science. 14, 41, p. 11447-11455 9 p.

    Research output: Contribution to journalJournal articlepeer-review

  6. 2022
  7. Published

    Dynamics and disorder: on the stability of pyrazinamide polymorphs

    Hoser, A. A., Rekis, T. & Madsen, Anders Østergaard, 2022, In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 78, p. 416-424

    Research output: Contribution to journalJournal articlepeer-review

  8. Published

    Effect of pH on the Surface Layer of Molecular Crystals at the Solid-Liquid Interface

    Herzberg, M., Larsen, A. S., Hassenkam, Tue, Madsen, Anders Østergaard & Rantanen, Jukka, 2022, In: Molecular Pharmaceutics. 19, 5, p. 1598–1603

    Research output: Contribution to journalJournal articlepeer-review

  9. Published

    Polysorbate 80 controls Morphology, structure and stability of human insulin Amyloid-Like spherulites

    Zhou, X., Fennema Galparsoro, D., Madsen, Anders Østergaard, Vetri, V., van de Weert, Marco, Nielsen, Hanne Mørck & Foderà, Vito, 2022, In: Journal of Colloid and Interface Science. 606, Pt 2, p. 1928-1939

    Research output: Contribution to journalJournal articlepeer-review

  10. 2021
  11. Published

    Polysorbate 80 Controls Morphology, Structure and Stability of Human Insulin Amyloid-Like Spherulites

    Zhou, X., Galparsoro, D. F., Madsen, Anders Østergaard, Vetri, V., van de Weert, Marco, Nielsen, Hanne Mørck & Foderà, Vito, 10 Aug 2021, bioRxiv, 52 p.

    Research output: Working paperPreprintResearch

  12. Published

    Crystal structure and optical properties of a two-sited EuIII com­pound: an EuIII ion coordinated by two [EuIII(DOTA)] com­plexes (DOTA is 1,4,7,10-tetra­azacyclo­dodecane-1,4,7,10-tetra­acetate)

    Thomsen, Maria Storm, Madsen, Anders Østergaard & Sørensen, Thomas Just, 1 Jul 2021, In: Acta Crystallographica Section C: Crystal Structure Communications. 77, 7, p. 354-364 10 p.

    Research output: Contribution to journalJournal articlepeer-review

  13. Published

    In situ nanoscale visualization of solvent effects on molecular crystal surfaces

    Herzberg, M., Larsen, A. S., Hassenkam, Tue, Madsen, Anders Østergaard & Rantanen, Jukka, 2021, In: CrystEngComm. 23, 16, p. 2933-2937

    Research output: Contribution to journalJournal articlepeer-review

  14. Published

    Determination of the crystal structure of magnesium stearate hydrate using micrometre size single crystals

    Rekis, T., Herzberg, M., Larsen, A. S., Gonzalez, A., Rantanen, Jukka & Madsen, Anders Østergaard, 2021, In: Acta Crystallographica Section A: Foundations and Advances. 77, p. C901-C901 1 p.

    Research output: Contribution to journalConference abstract in journalpeer-review

  15. Published

    Effect of dehydration pathway on the surface properties of molecular crystals

    Herzberg, M., Zeng, G., Makila, E., Murtomaa, M., Søgaard, S. V., Garnæs, J., Madsen, Anders Østergaard & Rantanen, Jukka, 2021, In: CrystEngComm. 23, p. 5788–5794

    Research output: Contribution to journalJournal articlepeer-review

  16. Published

    Theoretically derived thermodynamic properties can be improved by the refinement of low-frequency modes against X-ray diffraction data

    Hoser, A. A., Sztylko, M., Trzybinski, D. & Madsen, Anders Østergaard, 2021, In: Chemical Communications. 57, 74, p. 9370–9373 4 p.

    Research output: Contribution to journalLetterpeer-review

  17. 2020
  18. Published

    A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline L-alanine

    Sovago, I., Hoser, A. A. & Madsen, Anders Østergaard, 1 Jan 2020, In: Acta crystallographica. Section A, Foundations and advances. 76, p. 32-44 13 p.

    Research output: Contribution to journalJournal articlepeer-review

  19. 2019
  20. Published

    Determining short-lived solid forms during phase transformations using molecular dynamics

    Larsen, A. S., Olsen, M. A., Moustafa, H., Larsen, F. H., Sauer, Stephan P. A., Rantanen, Jukka & Madsen, Anders Østergaard, 2019, In: CrystEngComm. 21, 27, p. 4020-4024 5 p.

    Research output: Contribution to journalJournal articlepeer-review

  21. Published

    Improving Powder Characteristics by Surface Modification Using Atomic Layer Deposition

    Hirschberg, C., Jensen, N. S., Bøtker, Johan Peter, Madsen, Anders Østergaard, Kääriäinen, T. O., Kääriäinen, M., Hoppu, P., George, S. M., Murtomaa, M., Sun, C. C., Risbo, Jens & Rantanen, Jukka, 2019, In: Organic Process Research & Development. 23, 11, p. 2362-2368

    Research output: Contribution to journalJournal articlepeer-review

  22. Published

    X-ray diffraction data as a source of the vibrational free-energy contribution in polymorphic systems

    Kofoed, P. M., Hoser, A. A., Diness, Frederik, Capelli, S. C. & Madsen, Anders Østergaard, 2019, In: IUCrJ. 6, 4, p. 558-571 14 p.

    Research output: Contribution to journalJournal articlepeer-review

  23. 2018
  24. Published

    Heterogeneous nucleation of polymorphs on polymer surfaces: polymer-molecule interactions using a heterogeneous dielectric solvation model

    Wahlberg, N., Madsen, Anders Østergaard & Mikkelsen, Kurt Valentin, 1 Jul 2018, In: Journal of Molecular Modeling. 24, 7, 16 p., 156.

    Research output: Contribution to journalJournal articlepeer-review

  25. Published

    Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission

    Rosenberg, M., Rostgaard, K. R., Liao, Z., Madsen, Anders Østergaard, Martinez, Karen Laurence, Vosch, Tom & Laursen, Bo Wegge, 2018, In: Chemical Science. 9, 12, p. 3122-3130 9 p.

    Research output: Contribution to journalJournal articlepeer-review

  26. Published

    Heterogeneous nucleation of polymorphs on polymer surfaces: polymer-molecule interactions using a Coulomb and van der Waals model

    Wahlberg, N., Madsen, Anders Østergaard & Mikkelsen, Kurt Valentin, 2018, In: Journal of Molecular Modeling. 24, 7, 20 p., 155.

    Research output: Contribution to journalJournal articlepeer-review

  27. Published

    Macrocycle ring deformation as the secondary design principle for light-harvesting complexes

    De Vico, L., Anda, A., Osipov, V. A. I., Madsen, Anders Østergaard & Hansen, Thorsten, 2018, In: Proceedings of the National Academy of Sciences of the United States of America. 115, 39, p. E9051-E9057 7 p.

    Research output: Contribution to journalJournal articlepeer-review

  28. Published

    Quantum crystallography: current developments and future perspectives

    Genoni, A., Bucinsky, L., Claiser, N., Contreras-garcia, J., Dittrich, B., Dominiak, P. M., Espinosa, E., Gatti, C., Giannozzi, P., Gillet, J., Jayatilaka, D., Macchi, P., Madsen, A. Ø., Massa, L. J., Matta, C. F., Merz, K. M., Nakashima, P. N. H., Ott, H., Ryde, U., Schwarz, K. & 2 others, Sierka, M. & Grabowsky, S., 2018, In: Chemistry - A European Journal. 24, 43, p. 10881-10905 25 p.

    Research output: Contribution to journalJournal articlepeer-review

  29. 2017
  30. Published

    Implications of X-ray thermal diffuse scattering in integrated Bragg intensities of silicon and cubic boron nitride

    Wahlberg, N. & Madsen, Anders Østergaard, Dec 2017, In: Journal of Applied Crystallography. 50, p. 1791-1799

    Research output: Contribution to journalJournal articlepeer-review

  31. Published

    Experimental evidence of a 3-centre, 2-electron covalent bond character of the central O-H-O fragment on the Zundel cation in crystals of Zundel nitranilate tetrahydrate

    Molcanov, K., Jelsch, C., Wenger, E., Stare, J., Madsen, Anders Østergaard & Kojic-Prodic, B., 28 Jul 2017, In: CrystEngComm. 19, 28, p. 3898-3901

    Research output: Contribution to journalJournal articlepeer-review

  32. Published

    A crystal structure prediction enigma solved: the gallic acid monohydrate system - surprises at 10 K

    Hoser, A. A., Sovago, I., Lanzac, A. & Madsen, Anders Østergaard, 2017, In: Chemical Communications. 53, 5, p. 925-928 4 p.

    Research output: Contribution to journalJournal articlepeer-review

  33. Published

    Diversity-Oriented Syntheses by Combining CuAAC and Stereoselective INCIC Reactions with Peptides

    Wang, Y., Madsen, Anders Østergaard, Diness, Frederik & Meldal, Morten Peter, 2017, In: Chemistry - A European Journal. 23, 56, p. 13869–13874 6 p.

    Research output: Contribution to journalJournal articlepeer-review

  34. Published

    Dynamic quantum crystallography: Lattice-dynamical models refined against diffraction data. II. Applications to l -alanine, naphthalene and xylitol

    Hoser, A. A. & Madsen, Anders Østergaard, 2017, In: Acta Crystallographica Section A: Foundations and Advances. 73, 2, p. 102-114 13 p.

    Research output: Contribution to journalJournal articlepeer-review

  35. 2016
  36. Published

    Crystal structures and thermodynamic properties of polymorphs and hydrates of selected 2-pyridinecarboxaldehyde hydrazones

    Mazur, L., Jarzembska, K. N., Kaminski, R., Hoser, A. A., Madsen, Anders Østergaard, Pindelska, E. & Zielinska-Pisklak, M., 2016, In: Crystal Growth & Design. 16, 6, p. 3101-3112 12 p.

    Research output: Contribution to journalJournal articlepeer-review

  37. Published

    Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. I. Theory

    Hoser, A. A. & Madsen, Anders Østergaard, 2016, In: Acta Crystallographica. Section A: Foundations of Crystallography. 72, 2, p. 206-214 9 p.

    Research output: Contribution to journalJournal articlepeer-review

  38. Published

    Yes, one can obtain better quality structures from routine X-ray data collection

    Sanjuan-Szklarz, W. F., Hoser, A. A., Gutmann, M., Madsen, Anders Østergaard & Wozniak, K., 2016, In: IUCrJ. 3, p. 61-70 10 p.

    Research output: Contribution to journalJournal articlepeer-review

  39. 2015
  40. Published

    A simple approach to estimate isotropic displacement parameters for hydrogen atoms

    Madsen, Anders Østergaard & Hoser, A. A., 2015, In: Acta Crystallographica. Section A: Foundations of Crystallography. 71, 2, p. 169-174 6 p.

    Research output: Contribution to journalJournal articlepeer-review

  41. Published

    Bismuth(III)-promoted acetylation of thio­ethers into thioacetates

    Jevric, M., Petersen, A. U., Mansø, M., Madsen, Anders Østergaard & Nielsen, Mogens Brøndsted, 2015, In: European Journal of Organic Chemistry. 2015, 21, p. 4675–4688 14 p.

    Research output: Contribution to journalJournal articlepeer-review

  42. Published

    Synthesis of dithiafulvene–quinone donor–acceptor systems: isolation of a Michael adduct

    Lissau, H. S., Jevric, M., Madsen, Anders Østergaard & Nielsen, Mogens Brøndsted, 2015, In: Acta Crystallographica Section C. 71, 6, p. 452-455 4 p.

    Research output: Contribution to journalJournal articlepeer-review

  43. 2014
  44. Published

    Bromosubstituted norbornadienes and their reversible photolytic transformation to quadricyclanes

    Hammershøj, P., Sørensen, Thomas Just, Madsen, Anders Østergaard, Nielsen, M. M. & Bechgaard, K., 2014, In: ScienceOpen Research. Section: SOR-CHEM, 7 p.

    Research output: Contribution to journalJournal articlepeer-review

  45. Published

    Combined experimental and computational studies of pyrazinamide and nicotinamide in the context of crystal engineering and thermodynamics

    Jarzembska, K. N., Hoser, A. A., Kamiński, R., Madsen, Anders Østergaard, Durka, K. & Woźniak, K., 2014, In: Crystal Growth & Design. 14, 7, p. 3453-3465 13 p.

    Research output: Contribution to journalJournal articlepeer-review

  46. Published

    CuAAC and RuAAC with alkyne-functionalised Dihydroazulene photoswitches and determination of Hammett σ-constants for Triazoles

    Lissau, H. S., Broman, S. L., Jevric, M., Madsen, Anders Østergaard & Nielsen, Mogens Brøndsted, 2014, In: Australian Journal of Chemistry. 67, 3, p. 531-534 4 p.

    Research output: Contribution to journalJournal articlepeer-review

  47. Published

    Discovery of a cyclic 6 + 6 hexamer of d-biotin and formaldehyde

    Lisbjerg, M., Jessen, B. M., Rasmussen, B., Nielsen, B. E., Madsen, Anders Østergaard & Pittelkow, Michael, 2014, In: Chemical Science. 5, 7, p. 2647-2650 4 p.

    Research output: Contribution to journalJournal articlepeer-review

  48. Published

    Polymorph stability prediction: on the importance of accurate structures: a case study of pyrazinamide

    Wahlberg, N., Ciochon, P., Petricek, V. & Madsen, Anders Østergaard, 2014, In: Crystal Growth & Design. 14, 1, p. 381-388 8 p.

    Research output: Contribution to journalJournal articlepeer-review

  49. Published

    SHADE3 server: a streamlined approach to estimate H-atom anisotropic displacement parameters using periodic ab initio calculations or experimental information

    Madsen, Anders Østergaard & Hoser, A. A., 2014, In: Journal of Applied Crystallography. 47, 6, p. 2100-2104 5 p.

    Research output: Contribution to journalJournal articlepeer-review

  50. Published

    Synthesis and structures of N-Alkyl-1,13-dimethoxychromeno[ 2,3,4-kl] acridinium salts: the missing Azaoxa[4] helicenium

    Sørensen, Thomas Just, Madsen, Anders Østergaard & Laursen, Bo Wegge, 2014, In: Chemistry: A European Journal. 20, 21, p. 6391-6400 10 p.

    Research output: Contribution to journalJournal articlepeer-review

  51. 2013
  52. Published

    Anisotropic displacement parameters for molecular crystals from periodic Hartree-Fock and density functional theory calculations

    Madsen, Anders Østergaard, Civalleri, B., Ferrabone, M., Pascale, F. & Erba, A., 2013, In: Acta Crystallographica. Section A: Foundations of Crystallography. 69, p. 309-321 13 p.

    Research output: Contribution to journalJournal articlepeer-review

  53. Published

    Superarming of glycosyl donors by combined neighboring and conformational effects

    Heuckendorff, M., Premathilake, H. D., Pornsuriyasak, P., Madsen, Anders Østergaard, Pedersen, Christian Marcus, Bols, Mikael & Demchenko, A., 2013, In: Organic Letters. 15, 18, p. 4904-4907 4 p.

    Research output: Contribution to journalJournal articlepeer-review

  54. Published

    Synthesis and fluorescence properties of DMCX+-a stable oxygen-bridged [4]helicenium dye

    Sørensen, Thomas Just, Madsen, Anders Østergaard & Laursen, Bo Wegge, 2013, In: Tetrahedron Letters. 54, 6, p. 587-590 4 p.

    Research output: Contribution to journalJournal articlepeer-review

  55. 2012
  56. Published

    Large area, soft crystalline thin films of N,NI,NII-trialkyltriazatriangulenium salts with homeotropic alignment of the discotic cores in a lamellar lattice

    Sørensen, Thomas Just, Hildebrandt, C. B., Elm, J., Andreasen, J. W., Madsen, Anders Østergaard, Westerlund, A. R. F. & Laursen, Bo Wegge, 2012, In: Journal of Materials Chemistry. 22, 11, p. 4797-4805 9 p.

    Research output: Contribution to journalJournal articlepeer-review

  57. Published

    Modeling and analysing thermal motion in experimental charge density studies

    Madsen, Anders Østergaard, 2012, Modern charge-density analysis. Gatti, C. & Macchi, P. (eds.). Springer, p. 133-163 31 p.

    Research output: Chapter in Book/Report/Conference proceedingBook chapterResearchpeer-review

  58. Published

    Modeling and analysis of hydrogen atoms

    Madsen, Anders Østergaard, 2012, Electron density and chemical bonding I: experimental charge density studies. Stalke, D. (ed.). Springer, p. 21-52 32 p. (Structure and Bonding, Vol. 146).

    Research output: Chapter in Book/Report/Conference proceedingBook chapterResearchpeer-review

  59. 2011
  60. Published

    Understanding Thermodynamic Properties at the Molecular Level: Multiple Temperature Charge Density Study of Ribitol and Xylitol

    Madsen, Anders Østergaard, Mattson, R. & Larsen, Sine, 2011, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 115, p. 7794–7804

    Research output: Contribution to journalJournal articlepeer-review

  61. 2009
  62. Published

    Making a robust carbon-cobalt(III) bond

    Larsen, Erik, Madsen, Anders Østergaard, Kofod, P. & Song, Y., 2009, In: Inorganic Chemistry. 48, 15, p. 7159-7164 6 p.

    Research output: Contribution to journalJournal articlepeer-review

  63. Published

    Synthesis and Characterization of Tetrathiafulvalene-Substituted Di- and Tetraethynylethenes with p-Nitrophenyl Acceptors

    Andersson, A. S., Kerndrup, L., Madsen, Anders Østergaard, Kilså, K., Nielsen, Mogens Brøndsted, La Porta, P. R. & Biaggio, I., 2009, In: Journal of Organic Chemistry. 74, p. 375-382

    Research output: Contribution to journalJournal articlepeer-review

  64. 2008
  65. Published

    A pH-metric, UV, NMR, and X-ray crystallographic study on arsenous acid reacting with dithioerythritol

    Kolozsi, A., Lakatos, A., Galbács, G., Madsen, Anders Østergaard, Larsen, Erik & Gyurcsik, B., 2008, In: Inorganic Chemistry. 47, 9, p. 3832-3840 9 p.

    Research output: Contribution to journalJournal articlepeer-review

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