Search Results - "MADSEN, Anders Ø"

PhAI: A deep-learning approach to solve the crystallographic phase problem by Larsen, Anders S, Rekis, Toms, Madsen, Anders Ø

“…X-ray crystallography provides a distinctive view on the three-dimensional structure of crystals. To reconstruct the electron density map, the complex…”
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Macrocycle ring deformation as the secondary design principle for light-harvesting complexes by De Vico, Luca, Anda, André, Osipov, Vladimir Al, Madsen, Anders Ø., Hansen, Thorsten

“…Natural light-harvesting is performed by pigment–protein complexes, which collect and funnel the solar energy at the start of photosynthesis. The identity and…”
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Structure of the cross-β spine of amyloid-like fibrils by Eisenberg, David, Nelson, Rebecca, Sawaya, Michael R, Balbirnie, Melinda, Madsen, Anders Ø, Riekel, Christian, Grothe, Robert

“…Numerous soluble proteins convert to insoluble amyloid-like fibrils that have common properties. Amyloid fibrils are associated with fatal diseases such as…”
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Effect of pH on the Surface Layer of Molecular Crystals at the Solid–Liquid Interface by Herzberg, Mikkel, Larsen, Anders S, Hassenkam, Tue, Madsen, Anders Ø, Rantanen, Jukka

“…Dissolution of solid matter into aqueous solution is one of the most challenging physicochemical aspects related to drug development. While influenced by…”
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Different or the same? exploring the physicochemical properties and molecular mobility of celecoxib amorphous forms by Wang, Mengwei, Aalling-Frederiksen, Olivia, Madsen, Anders Ø., Jensen, Kirsten M.Ø., Jørgensen, Mads R.V., Gong, Junbo, Rades, Thomas, Martins, Inês C.B.

“…[Display omitted] The influence of different preparation methods on the physicochemical properties of amorphous solid forms have gained considerable attention,…”
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Dynamic quantum crystallography: lattice‐dynamical models refined against diffraction data. II. Applications to l‐alanine, naphthalene and xylitol by Hoser, Anna A., Madsen, Anders Ø.

“…In the first paper of this series [Hoser & Madsen (2016). Acta Cryst. A72, 206–214], a new approach was introduced which enables the refinement of frequencies…”
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Diversity‐Oriented Syntheses by Combining CuAAC and Stereoselective INCIC Reactions with Peptides by Wang, Yuanyuan, Madsen, Anders Ø., Diness, Frederik, Meldal, Morten

“…Cascade reactions proceeding through peptide‐derived N‐carbamoyl iminium ions are reported. Two new reactions of N‐carbamoyl iminium ions are described,…”
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Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. I. Theory by Hoser, Anna A., Madsen, Anders Ø.

“…This study demonstrates and tests the refinement of a lattice‐dynamical model derived from periodic ab initio calculations at the Γ point against elastic…”
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Unveiling polyamorphism and polyamorphic interconversions in pharmaceuticals: the peculiar case of hydrochlorothiazide by Martins, Inês C. B, Larsen, Anders S, Madsen, Anders Ø, Frederiksen, Olivia Aalling, Correia, Alexandra, Jensen, Kirsten M. Ø, Jeppesen, Henrik S, Rades, Thomas

“…Polyamorphism has been a controversial and highly debated solid-state phenomenon in both material and pharmaceutical communities. Although some evidence of…”
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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) by Thomsen, Maria Storm, Madsen, Anders Ø., Sørensen, Thomas Just

“…The structure and solid‐state luminescence properties of an EuIII compound with two different lanthanide sites, [Eu(μ‐O)5(OH)(H2O)2][Eu(DOTA)(H2O)]2 (DOTA is…”
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The Structural Biology of Protein Aggregation Diseases:  Fundamental Questions and Some Answers by Eisenberg, David, Nelson, Rebecca, Sawaya, Michael R, Balbirnie, Melinda, Sambashivan, Shilpa, Ivanova, Magdalena I, Madsen, Anders Ø, Riekel, Christian

“…Amyloid fibrils are found in association with at least two dozen fatal diseases. The tendency of numerous proteins to convert into amyloid-like fibrils poses…”
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13C NMR Chemical Shifts of Saccharides in the Solid State: A Density Functional Theory Study by Moustafa, Hadeel, Larsen, Flemming H., Madsen, Anders Ø., Sauer, Stephan P. A.

“…In this work we present a systematic, theoretical investigation of the 13C NMR chemical shifts for several mono-, di- and trisaccharides in the solid state…”
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Combined Experimental and Computational Studies of Pyrazinamide and Nicotinamide in the Context of Crystal Engineering and Thermodynamics by Jarzembska, Katarzyna N, Hoser, Anna A, Kamiński, Radosław, Madsen, Anders Ø, Durka, Krzysztof, Woźniak, Krzysztof

“…Pyrazinamide and nicotinamide constitute small, rigid molecules, which are of importance in several areas of science, including crystal engineering, chemical…”
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Crystal Structures and Thermodynamic Properties of Polymorphs and Hydrates of Selected 2‑Pyridinecarboxaldehyde Hydrazones by Mazur, Liliana, Jarzembska, Katarzyna N, Kamiński, Radosław, Hoser, Anna A, Madsen, Anders Ø, Pindelska, Edyta, Zielińska-Pisklak, Monika

“…Synthesis, crystal structure, and thermal behavior studies of different solid-state forms of two new 2-pyridinecarboxaldehyde N-acylhydrazones are reported…”
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Polymorph Stability Prediction: On the Importance of Accurate Structures: A Case Study of Pyrazinamide by Wahlberg, Nanna, Ciochoń, Piotr, Petriĉek, Vaclav, Madsen, Anders Ø

“…We reproduce the experimentally observed polymorph stability of the tetramorph pyrazinamide using periodic density functional theory (DFT) calculations…”
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Superarming of Glycosyl Donors by Combined Neighboring and Conformational Effects by Heuckendorff, Mads, Premathilake, Hemali D, Pornsuriyasak, Papapida, Madsen, Anders Ø, Pedersen, Christian M, Bols, Mikael, Demchenko, Alexei V

“…A novel glycosyl donor that combines the concepts of both conformational and electronic superarming has been synthesized. The reactivity and selectivity of the…”
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Heterogeneous nucleation of polymorphs on polymer surfaces: polymer–molecule interactions using a Coulomb and van der Waals model by Wahlberg, Nanna, Madsen, Anders Ø., Mikkelsen, Kurt V.

“…The nucleation processes of acetaminophen on poly(methyl methacrylate) and poly(vinyl acetate) have been investigated and the mechanisms of the processes are…”
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Synthesis and Structures of N-Alkyl-1,13-dimethoxychromeno- [2,3,4-kl]acridinium Salts: The Missing Azaoxa[4]helicenium by Sørensen, Thomas Just, Madsen, Anders Ø., Laursen, Bo W.

“…Helical structures are interesting due to their inherent chirality. Helicenium ions are triarylmethylium structures twisted into configurationally stable…”
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Heterogeneous nucleation of polymorphs on polymer surfaces: polymer–molecule interactions using a heterogeneous dielectric solvation model by Wahlberg, Nanna, Madsen, Anders Ø., Mikkelsen, Kurt V.

“…We have investigated the mechanism of the nucleation of acetaminophen on poly(methyl-methacrylate) and poly(vinyl-acetate) utilizing a combination of quantum…”
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Synthesis and Characterization of Tetrathiafulvalene-Substituted Di- and Tetraethynylethenes with p-Nitrophenyl Acceptors by Andersson, Asbjørn S, Kerndrup, Lasse, Madsen, Anders Ø, Kilså, Kristine, Nielsen, Mogens Brøndsted, Porta, Philip R. La, Biaggio, Ivan

“…Novel di- and tetraethynylethene (DEE and TEE) compounds functionalized with tetrathiafulvalene (TTF) donor groups and p-nitrophenyl acceptor groups were…”
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