693.932 PEOPLE
| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Coles, Sj
University of Southampton
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (29/29 displayed)
- 2023β,β-directly linked porphyrin ringscitations
- 2023N=8 armchair graphene nanoribbonscitations
- 2022Unprecedented platinum(II) coordination compound of sterically hindered 3,3′-bis(NH-benzimidazol-2-yl)-2,2′-bipyridine ligand
- 2022Aryl, bi-functionalised imidazo[4,5-f]-1,10-phenanthroline ligands and their luminescent rhenium(I) complexescitations
- 2021Spectroscopic, structural and DFT studies of luminescent Pt(II) and Ag(I) complexes with an asymmetric 2,2'-bipyridine chelating ligandcitations
- 2021Insights into the structure-property relationship of pharmaceutical co-crystals: charge density and quantum chemical approachescitations
- 2020Oxidopolyborate chemistrycitations
- 2020Oxidopolyborate anions templated by transition-metal complex cations: Self-assembled syntheses and structural studies (XRD) of [Co(NH3)6]2[B4O5(OH)4]3·11H2O, [Ni(phen)3][B7O9(OH)5]·9.5H2O and [Zn(dac)2(H2O)2][B7O9(OH)5]·H2Ocitations
- 2019Syntheses, X-ray structures and characterisation of luminescent chromium(III) complexes incorporating 8-quinolinato ligandscitations
- 2019Synthesis, characterisation and electrochemistry of eight Fe coordination compounds containing substituted 2-(1-(4-R-phenyl-1H-1,2,3-triazol-4-yl)pyridine ligands, R = CH3, OCH3, COOH, F, Cl, CN, H and CF3citations
- 2019Highly efficient fullerene and non-fullerene based ternary organic solar cells incorporating a new tetrathiocin-cored semiconductorcitations
- 2018Synthesis, characterisation and electrochemistry of eight Fe coordination compounds containing substituted 2-(1-(4-R-phenyl-1H-1,2,3-triazol-4-yl)pyridine ligands, R = CH3, OCH3, COOH, F, Cl, CN, H and CF3citations
- 2018Two 1-D coordination polymers containing zinc(II) hexaborates: [Zn(en{B6O7(OH)6}]2H2O (en =1,2-diaminoethane) and [Zn(pn{B6O7(OH)6}]1.5H2O (pn = 1,2-diaminopropane)citations
- 2017Synthesis, XRD studies and NLO properties of [p-H2NC6H4CH2NH3][B5O6(OH)4]·1/2H2O and NLO properties of some related pentaborate(1−) saltscitations
- 2017Mechanosynthesis of coordination polymers based on dithiophosphato and dithiophosphonato NiII complexes and 1,4-di(3-pyridinyl)buta-1,3-diyne ligandcitations
- 2017Structural organization in the trimethylamine iodine monochloride complexcitations
- 2013A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoatescitations
- 2013The competition between halogen bonds (Br???O) and C–H???O hydrogen bonds: the structure of the acetone–bromine complex revisitedcitations
- 2010Seven 3-methylidene-1H-indol-2(3H)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinibcitations
- 2010A chiral ferromagnetic molecular metalcitations
- 2008Synthesis, structure, and supramolecular architecture of benzonitrile and pyridine adducts of bis(pentafluorophenyl)zinc: pentafluorophenyl-aryl interactions versus homoaromatic pairingcitations
- 2006Synthesis and X-ray characterization of the organotriboroxinate salts [Me3NCH2CH2OH][Ph4B3O3] and [NEt3H][Ph3B3O3(OH)], and the X-ray structure of the triarylboroxine, (4-MeOC6H4)(3)B3O3citations
- 2006New pyridyl modified phosphines: Synthesis and late transition-metal coordination studiescitations
- 2006The formation and isolation of benzisothiazole rings from the reactions of oxime-thiophenolate ligandscitations
- 2005Intramolecular and intermolecular N-H···F-C hydrogen-bonding interactions in amine adducts of tris(pentafluorophenyl)borane and tris(pentafluorophenyl)alanecitations
- 2004Syntheses, spectroscopic and molecular quadratic nonlinear optical properties of dipolar ruthenium(II) complexes of the ligand 1,2-phenylenebis(dimethylarsine)citations
- 2004Mixed valence Mn(II)/Mn(III) [3 x 3] grid complexes: structural, electrochemical, spectroscopic, and magnetic propertiescitations
- 2003Synthesis and characterisation of a series of Group 7 metal 2,2,2,2-dicarbonylbis(triorganophosphine)-arachno-2-metallatetraboranes, M(CO)(2)L-2(B3H8) (M=Re, Mn); crystal and molecular structures of Re(CO)(2)(dppf)(B3H8) and Mn(CO)(2)(dppe)(B3H8)citations
- 2002Synthesis, crystal structure, and enhancement of the efficacy of metronidazole against Entamoeba histolytica by complexation with palladium(II), platinum(II), or copper(II)
Places of action
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article
Insights into the structure-property relationship of pharmaceutical co-crystals: charge density and quantum chemical approaches
Abstract
A subset of co-crystal systems of the antipyretic and analgesic drug, propyphenazone, are used to probe the nature of the drug···co-former interactions. The experimental electron density distribution, based on very high-resolution single crystal diffraction, has been modelled and an analysis undertaken using Bader's Atoms in Molecules approach. Atomic charges, intermolecular interactions and their energies have been subsequently derived and compared between systems. Complementary theoretical calculations are used to derive interaction energies for intermolecular interactions beyond atom···atom contacts. These permit the deconvolution of the intermolecular interactions into their constituent energy components for a comprehensive analysis. This approach provides an insight into the factors affecting the assembly of the solid state, with the case of pharmaceutical co-crystals being highlighted in this work. Furthermore, this approach enables analysis of the effect of the co-former on various influencing factors that determine the physicochemical properties of these multi-component systems.