Anders Østergaard Madsen

Research output

Research output per year 2001 2014 2017 2018 2021 2023 2024

• 5429 Citations
• 61 Journal article
• 2 Book chapter
• 1 Conference abstract in journal
• 1 Letter
• 2 More
  • 1 Computer programme
  • 1 Preprint

Research output per year

Research output per year

Search results

• 2024

  Different or the same? exploring the physicochemical properties and molecular mobility of celecoxib amorphous forms

  Wang, M., Aalling-Frederiksen, O., Madsen, A., Jensen, K. M. Ø., Jørgensen, M. R. V., Gong, J., Rades, T. & Martins, I. C. B., 2024, In: International Journal of Pharmaceutics. 661, 9 p., 124470.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
  4 Downloads (Pure)

• PhAI: A deep-learning approach to solve the crystallographic phase problem

  Larsen, A. S., Rekis, T. & Madsen, A., 2024, In: Science (New York, N.Y.). 385, 6708, p. 522-528

  Research output: Contribution to journal › Journal article › Research › peer-review
• 2023

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

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

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
  1 Citation (Scopus)

  11 Downloads (Pure)

• 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, A. Ø., Vetri, V., van de Weert, M., Nielsen, H. M. & Foderà, V., 2023, In: Journal of Colloid and Interface Science. 640, p. 917

  Research output: Contribution to journal › Journal article › Communication

  File

• 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, J. & Østergaard Madsen, A., 2023, In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 79, p. 330-335

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
  17 Downloads (Pure)

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

  Martins, I. C. B., Larsen, A. S., Madsen, A. I., Frederiksen, O. A., Correia, A., Jensen, K. M. Ø., Jeppesen, H. S. & Rades, T., 2023, In: Chemical Science. 14, 41, p. 11447-11455 9 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
  7 Citations (Scopus)

  21 Downloads (Pure)
• 2022

  Dynamics and disorder: on the stability of pyrazinamide polymorphs

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

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
  5 Citations (Scopus)

  19 Downloads (Pure)

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

  Herzberg, M., Larsen, A. S., Hassenkam, T., Madsen, A. & Rantanen, J., 2022, In: Molecular Pharmaceutics. 19, 5, p. 1598–1603

  Research output: Contribution to journal › Journal article › Research › peer-review
  2 Citations (Scopus)

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

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

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
  14 Citations (Scopus)

  16 Downloads (Pure)
• 2021

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

  Thomsen, M. S., Madsen, A. Ø. & Sørensen, T. J., 1 Jul 2021, In: Acta Crystallographica Section C: Crystal Structure Communications. 77, 7, p. 354-364 10 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

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

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

  Research output: Contribution to journal › Conference abstract in journal › Research › peer-review

  Open Access

  File
  30 Downloads (Pure)

• 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, A. Ø. & Rantanen, J., 2021, In: CrystEngComm. 23, p. 5788–5794

  Research output: Contribution to journal › Journal article › Research › peer-review
  1 Citation (Scopus)

• In situ nanoscale visualization of solvent effects on molecular crystal surfaces

  Herzberg, M., Larsen, A. S., Hassenkam, T., Madsen, A. O. & Rantanen, J., 2021, In: CrystEngComm. 23, 16, p. 2933-2937

  Research output: Contribution to journal › Journal article › Research › peer-review
  2 Citations (Scopus)

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

  Zhou, X., Galparsoro, D. F., Madsen, A. Ø., Vetri, V., Weert, M. V. D., Nielsen, H. M. & Foderà, V., 10 Aug 2021, bioRxiv, 52 p.

  Research output: Working paper › Preprint › Research

  Open Access

  File
  29 Downloads (Pure)

• 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, A. O., 2021, In: Chemical Communications. 57, 74, p. 9370–9373 4 p.

  Research output: Contribution to journal › Letter › Research › peer-review
  6 Citations (Scopus)
• 2020

  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, A., 1 Jan 2020, In: Acta crystallographica. Section A, Foundations and advances. 76, p. 32-44 13 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
  6 Citations (Scopus)
• 2019

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

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

  Research output: Contribution to journal › Journal article › Research › peer-review
  21 Citations (Scopus)

• Improving Powder Characteristics by Surface Modification Using Atomic Layer Deposition

  Hirschberg, C., Jensen, N. S., Boetker, J., Madsen, A. Ø., Kääriäinen, T. O., Kääriäinen, M-L., Hoppu, P., George, S. M., Murtomaa, M., Sun, C. C., Risbo, J. & Rantanen, J., 2019, In: Organic Process Research & Development. 23, 11, p. 2362-2368

  Research output: Contribution to journal › Journal article › Research › peer-review
  17 Citations (Scopus)

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

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

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
  12 Citations (Scopus)

  285 Downloads (Pure)
• 2018

  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, A. Ø., Martinez, K. L., Vosch, T. A. J. & Laursen, B. W., 2018, In: Chemical Science. 9, 12, p. 3122-3130 9 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
  44 Citations (Scopus)

  231 Downloads (Pure)

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

  Wahlberg, N., Madsen, A. Ø. & Mikkelsen, K. V., 1 Jul 2018, In: Journal of Molecular Modeling. 24, 7, 16 p., 156.

  Research output: Contribution to journal › Journal article › Research › peer-review
  2 Citations (Scopus)

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

  Wahlberg, N., Madsen, A. Ø. & Mikkelsen, K. V., 2018, In: Journal of Molecular Modeling. 24, 7, 20 p., 155.

  Research output: Contribution to journal › Journal article › Research › peer-review
  5 Citations (Scopus)

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

  De Vico, L., Anda, A., Osipov, V. A. I., Madsen, A. O. & Hansen, T., 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 journal › Journal article › Research › peer-review

  Open Access
  25 Citations (Scopus)

• 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 journal › Journal article › Research › peer-review
  111 Citations (Scopus)
• 2017

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

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

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
  14 Citations (Scopus)

  130 Downloads (Pure)

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

  Wang, Y., Madsen, A., Diness, F. & Meldal, M., 2017, In: Chemistry - A European Journal. 23, 56, p. 13869–13874 6 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
  9 Citations (Scopus)

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

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

  Research output: Contribution to journal › Journal article › Research › peer-review
  24 Citations (Scopus)

• 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, A. Ø. & Kojic-Prodic, B., 28 Jul 2017, In: CrystEngComm. 19, 28, p. 3898-3901

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access
  12 Citations (Scopus)

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

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

  Research output: Contribution to journal › Journal article › Research › peer-review
  7 Citations (Scopus)
• 2016

  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, A. Ø., Pindelska, E. & Zielinska-Pisklak, M., 2016, In: Crystal Growth & Design. 16, 6, p. 3101-3112 12 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
  18 Citations (Scopus)

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

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

  Research output: Contribution to journal › Journal article › Research › peer-review
  30 Citations (Scopus)

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

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

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
  31 Citations (Scopus)

  152 Downloads (Pure)
• 2015

  A simple approach to estimate isotropic displacement parameters for hydrogen atoms

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

  Research output: Contribution to journal › Journal article › Research › peer-review
  4 Citations (Scopus)

• Bismuth(III)-promoted acetylation of thio­ethers into thioacetates

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

  Research output: Contribution to journal › Journal article › Research › peer-review
  9 Citations (Scopus)

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

  Lissau, H. S., Jevric, M., Madsen, A. Ø. & Nielsen, M. B., 2015, In: Acta Crystallographica Section C. 71, 6, p. 452-455 4 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
  4 Citations (Scopus)
• 2014

  Bromosubstituted norbornadienes and their reversible photolytic transformation to quadricyclanes

  Hammershøj, P., Sørensen, T. J., Madsen, A. Ø., Nielsen, M. M. & Bechgaard, K., 2014, In: ScienceOpen Research. Section: SOR-CHEM, 7 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  Open Access

  File
  1578 Downloads (Pure)

• 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, A. Ø., Durka, K. & Woźniak, K., 2014, In: Crystal Growth & Design. 14, 7, p. 3453-3465 13 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
  34 Citations (Scopus)

• 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, A. Ø. & Nielsen, M. B., 2014, In: Australian Journal of Chemistry. 67, 3, p. 531-534 4 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
  7 Citations (Scopus)

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

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

  Research output: Contribution to journal › Journal article › Research › peer-review
  93 Citations (Scopus)

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

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

  Research output: Contribution to journal › Journal article › Research › peer-review
  20 Citations (Scopus)

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

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

  Research output: Contribution to journal › Journal article › Research › peer-review

  File
  35 Citations (Scopus)

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

  Sørensen, T. J., Madsen, A. Ø. & Laursen, B. W., 2014, In: Chemistry: A European Journal. 20, 21, p. 6391-6400 10 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
  11 Citations (Scopus)
• 2013

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

  Madsen, A. Ø., 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 journal › Journal article › Research › peer-review

• Superarming of glycosyl donors by combined neighboring and conformational effects

  Heuckendorff, M., Premathilake, H. D., Pornsuriyasak, P., Madsen, A. Ø., Pedersen, C. M., Bols, M. & Demchenko, A., 2013, In: Organic Letters. 15, 18, p. 4904-4907 4 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
  23 Citations (Scopus)

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

  Sørensen, T. J., Madsen, A. Ø. & Laursen, B. W., 2013, In: Tetrahedron Letters. 54, 6, p. 587-590 4 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  File
  9 Citations (Scopus)
• 2012

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

  Sørensen, T. J., Hildebrandt, C. B., Elm, J., Andreasen, J. W., Madsen, A. Ø., Westerlund, A. R. F. & Laursen, B. W., 2012, In: Journal of Materials Chemistry. 22, 11, p. 4797-4805 9 p.

  Research output: Contribution to journal › Journal article › Research › peer-review

  File
  27 Citations (Scopus)

• Modeling and analysing thermal motion in experimental charge density studies

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

  Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
  4 Citations (Scopus)

• Modeling and analysis of hydrogen atoms

  Madsen, A. Ø., 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 proceeding › Book chapter › Research › peer-review
  16 Citations (Scopus)
• 2011

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

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

  Research output: Contribution to journal › Journal article › Research › peer-review

  30 Citations (Scopus)
• 2009

  Making a robust carbon-cobalt(III) bond

  Larsen, E., Madsen, A. Ø., Kofod, P. & Song, Y., 2009, In: Inorganic Chemistry. 48, 15, p. 7159-7164 6 p.

  Research output: Contribution to journal › Journal article › Research › peer-review
  9 Citations (Scopus)