Materials Map

Discover the materials research landscape. Find experts, partners, networks.

  • About
  • Privacy Policy
  • Legal Notice
  • Contact

The Materials Map is an open tool for improving networking and interdisciplinary exchange within materials research. It enables cross-database search for cooperation and network partners and discovering of the research landscape.

The dashboard provides detailed information about the selected scientist, e.g. publications. The dashboard can be filtered and shows the relationship to co-authors in different diagrams. In addition, a link is provided to find contact information.

×

Materials Map under construction

The Materials Map is still under development. In its current state, it is only based on one single data source and, thus, incomplete and contains duplicates. We are working on incorporating new open data sources like ORCID to improve the quality and the timeliness of our data. We will update Materials Map as soon as possible and kindly ask for your patience.

To Graph

1.080 Topics available

To Map

977 Locations available

693.932 PEOPLE
693.932 People People

693.932 People

Show results for 693.932 people that are selected by your search filters.

←

Page 1 of 27758

→
←

Page 1 of 0

→
PeopleLocationsStatistics
Naji, M.
  • 2
  • 13
  • 3
  • 2025
Motta, Antonella
  • 8
  • 52
  • 159
  • 2025
Aletan, Dirar
  • 1
  • 1
  • 0
  • 2025
Mohamed, Tarek
  • 1
  • 7
  • 2
  • 2025
Ertürk, Emre
  • 2
  • 3
  • 0
  • 2025
Taccardi, Nicola
  • 9
  • 81
  • 75
  • 2025
Kononenko, Denys
  • 1
  • 8
  • 2
  • 2025
Petrov, R. H.Madrid
  • 46
  • 125
  • 1k
  • 2025
Alshaaer, MazenBrussels
  • 17
  • 31
  • 172
  • 2025
Bih, L.
  • 15
  • 44
  • 145
  • 2025
Casati, R.
  • 31
  • 86
  • 661
  • 2025
Muller, Hermance
  • 1
  • 11
  • 0
  • 2025
Kočí, JanPrague
  • 28
  • 34
  • 209
  • 2025
Šuljagić, Marija
  • 10
  • 33
  • 43
  • 2025
Kalteremidou, Kalliopi-ArtemiBrussels
  • 14
  • 22
  • 158
  • 2025
Azam, Siraj
  • 1
  • 3
  • 2
  • 2025
Ospanova, Alyiya
  • 1
  • 6
  • 0
  • 2025
Blanpain, Bart
  • 568
  • 653
  • 13k
  • 2025
Ali, M. A.
  • 7
  • 75
  • 187
  • 2025
Popa, V.
  • 5
  • 12
  • 45
  • 2025
Rančić, M.
  • 2
  • 13
  • 0
  • 2025
Ollier, Nadège
  • 28
  • 75
  • 239
  • 2025
Azevedo, Nuno Monteiro
  • 4
  • 8
  • 25
  • 2025
Landes, Michael
  • 1
  • 9
  • 2
  • 2025
Rignanese, Gian-Marco
  • 15
  • 98
  • 805
  • 2025

Streek, Jacco Van De

  • Google
  • 5
  • 26
  • 58

in Cooperation with on an Cooperation-Score of 37%

Topics

Publications (5/5 displayed)

  • 2023Hydrogen bonding patterns and C—H...π interactions in the structure of the antiparkinsonian drug (<i>R</i>)-rasagiline mesylate determined using laboratory and synchrotron X-ray powder diffraction data2citations
  • 2022Crystal structure from laboratory X-ray powder diffraction data, DFT-D calculations, and Hirshfeld surface analysis of (<i>S</i>)-dapoxetine hydrochloride3citations
  • 2022Crystal structure from X-ray powder diffraction data, DFT-D calculation, Hirshfeld surface analysis, and energy frameworks of (<i>RS</i>)-trichlormethiazide4citations
  • 2012Complementing high-throughput X-ray powder diffraction data with quantum-chemical calculations31citations
  • 2009Electron diffraction, X-ray powder diffraction and pair-distribution-function analyses to determine the crystal structures of Pigment Yellow 213, C<sub>23</sub>H<sub>21</sub>N<sub>5</sub>O<sub>9</sub>18citations

Places of action

Chart of shared publication
Henao, José Antonio
2 / 2 shared
Fitch, Andrew N.
1 / 4 shared
Toro, Robert A.
2 / 2 shared
Delgado, José Miguel
2 / 4 shared
Dugarte-Dugarte, Analio J.
1 / 1 shared
Dejoie, Catherine
1 / 6 shared
Toro Hernández, Robert Antonio
1 / 2 shared
Henao, Jose
1 / 1 shared
Rantanen, Jukka
1 / 43 shared
Naelapaa, Kaisa
1 / 1 shared
Bond, Andrew
1 / 1 shared
Brunelli, Michela
1 / 5 shared
Brühne, Stefan
1 / 1 shared
Kolb, Ute
1 / 21 shared
Mugnaioli, Enrico
1 / 23 shared
Gorelik, Tatiana
1 / 8 shared
Schmidt, Martin U.
1 / 4 shared
Alig, Edith
1 / 1 shared
Brüning, Jürgen
1 / 1 shared
Rech, Anette
1 / 1 shared
Wolf, Alexandra K.
1 / 1 shared
Stowasser, Frank
1 / 1 shared
Gozzo, Fabia
1 / 3 shared
Glinnemann, Jürgen
1 / 1 shared
Buchsbaum, Christian
1 / 1 shared
Fink, Lothar
1 / 1 shared
Chart of publication period
2023
2022
2012
2009

Co-Authors (by relevance)

  • Henao, José Antonio
  • Fitch, Andrew N.
  • Toro, Robert A.
  • Delgado, José Miguel
  • Dugarte-Dugarte, Analio J.
  • Dejoie, Catherine
  • Toro Hernández, Robert Antonio
  • Henao, Jose
  • Rantanen, Jukka
  • Naelapaa, Kaisa
  • Bond, Andrew
  • Brunelli, Michela
  • Brühne, Stefan
  • Kolb, Ute
  • Mugnaioli, Enrico
  • Gorelik, Tatiana
  • Schmidt, Martin U.
  • Alig, Edith
  • Brüning, Jürgen
  • Rech, Anette
  • Wolf, Alexandra K.
  • Stowasser, Frank
  • Gozzo, Fabia
  • Glinnemann, Jürgen
  • Buchsbaum, Christian
  • Fink, Lothar
OrganizationsLocationPeople

article

Hydrogen bonding patterns and C—H...π interactions in the structure of the antiparkinsonian drug (<i>R</i>)-rasagiline mesylate determined using laboratory and synchrotron X-ray powder diffraction data

  • Henao, José Antonio
  • Fitch, Andrew N.
  • Toro, Robert A.
  • Delgado, José Miguel
  • Dugarte-Dugarte, Analio J.
  • Streek, Jacco Van De
  • Dejoie, Catherine
Abstract

<jats:p>The structure of (<jats:italic>R</jats:italic>)-rasagiline mesylate [(<jats:italic>R</jats:italic>)-RasH<jats:sup>+</jats:sup>·Mes<jats:sup>−</jats:sup>], an active pharmaceutical ingredient used to treat Parkinson's disease, is presented. The structure was determined from laboratory and synchrotron powder diffraction data, refined using the Rietveld method, and validated and optimized using dispersion-corrected DFT calculations. The unit-cell parameters obtained in both experiments are in good agreement and the refinement with both datasets converged to good agreement factors. The final parameters obtained from laboratory data were <jats:italic>a</jats:italic> = 5.4905 (8), <jats:italic>b</jats:italic> = 6.536 (2), <jats:italic>c</jats:italic> = 38.953 (3) Å, <jats:italic>V</jats:italic> = 1398.0 (4) Å<jats:sup>3</jats:sup> and from synchrotron powder data were <jats:italic>a</jats:italic> = 5.487530 (10) Å, <jats:italic>b</jats:italic> = 6.528939 (12) Å, <jats:italic>c</jats:italic> = 38.94313 (9) Å, <jats:italic>V</jats:italic> = 1395.245 (5) Å<jats:sup>3</jats:sup> with <jats:italic>Z</jats:italic> = 4 and space group <jats:italic>P</jats:italic>2<jats:sub>1</jats:sub>2<jats:sub>1</jats:sub>2<jats:sub>1</jats:sub>. Preferred orientation was properly accounted for using the synchrotron radiation data, leading to a March–Dollase parameter of 1.140 (1) instead of the 0.642 (1) value obtained from laboratory data. In the structure, (<jats:italic>R</jats:italic>)-RasH<jats:sup>+</jats:sup> moieties form layers parallel to the <jats:italic>ab</jats:italic> plane connected by mesylate ions through N—H...O and C—H...O hydrogen bonds. These layers stack along the <jats:italic>c</jats:italic> axis and are further connected by C—H...π interactions. Hirshfeld surface analysis and fingerprint plot calculations indicate that the main interactions are: H...H (50.9%), H...C/C...H (27.1%) and H...O/O...H (21.1%).</jats:p>

Topics
  • impedance spectroscopy
  • dispersion
  • surface
  • experiment
  • Hydrogen
  • density functional theory
  • space group