Zobrazeno 1 - 10
of 221
pro vyhledávání: '"Christian Jelsch"'
Autor:
Yaakoub Saadallah, Zouaoui Setifi, Christian Jelsch, Fatima Setifi, Mohammed Hadi Al-Douh, Achouak Satour, Christopher Glidewell
Publikováno v:
Acta Crystallographica Section E: Crystallographic Communications, Vol 79, Iss 10, Pp 936-941 (2023)
The title compound, [Fe(C2N3)2(C8H7N5)2]·2H2O, has been synthesized solvothermally and characterized by single-crystal X-ray diffraction. The octahedral iron coordination polyhedron contains two di(pyrimidin-2-yl)amine ligands coordinated in a biden
Externí odkaz:
https://doaj.org/article/f65093f160774954a19a52a1fb751e01
Publikováno v:
IUCrJ, Vol 10, Iss 5, Pp 557-567 (2023)
Hirshfeld surface analysis is a widely used tool for identifying the types of intermolecular contacts that contribute most significantly to crystal packing stabilization. One useful metric for analyzing these contacts is the contact enrichment descri
Externí odkaz:
https://doaj.org/article/2e451ca09c144c7ba21855b9c999d327
Autor:
Aly Dawa El Mestehdi, Moctar Abba, Mohamed Lemine El Housseine, Abderrahmane Ould Hadou, Aliou Hamady Barry, Brahim Ould Elemine, Christian Jelsch, Mohamed Gaye
Publikováno v:
Acta Crystallographica Section E: Crystallographic Communications, Vol 78, Iss 10, Pp 1072-1076 (2022)
This article reports a practical synthesis of tert-butyl acetylcarbamate, C7H13NO3, from N-Boc-thioacetamide and the study of its crystal structure. The reaction proceeds in the presence of natural phosphate as a catalyst, with excellent yield, simpl
Externí odkaz:
https://doaj.org/article/d864da6889da422bbcd0a91355635f98
Autor:
Ibrahima Goudiaby, Thérèse E. Malliavin, Eva Mocchetti, Sandrine Mathiot, Samir Acherar, Céline Frochot, Muriel Barberi-Heyob, Benoît Guillot, Frédérique Favier, Claude Didierjean, Christian Jelsch
Publikováno v:
Molecules, Vol 28, Iss 14, p 5603 (2023)
Neuropilin 1 (NRP1), a cell-surface co-receptor of a number of growth factors and other signaling molecules, has long been the focus of attention due to its association with the development and the progression of several types of cancer. For example,
Externí odkaz:
https://doaj.org/article/4ed57c00a68845df925940f4ba6d8ed9
Publikováno v:
Crystals, Vol 13, Iss 7, p 1133 (2023)
Six meta-substituted isophthalamide diesters (DxE) and pyridinedicarboxamides (PxE) are reported with spectroscopic and crystal structure analyses (D = meta-C6H4; P = meta-pyridine; xE = 2-/3-/4-ethyl ester substitution). Comparisons are made between
Externí odkaz:
https://doaj.org/article/90131b06cfd641839267ca745ed72b4a
Autor:
Valentina Milašinović, Krešimir Molčanov, Anna Krawczuk, Nikita E. Bogdanov, Boris A. Zakharov, Elena V. Boldyreva, Christian Jelsch, Biserka Kojić-Prodić
Publikováno v:
IUCrJ, Vol 8, Iss 4, Pp 644-654 (2021)
The variation of charge density of two-electron multicentre bonding (pancake bonding) between semiquinone radicals with pressure and temperature was studied on a salt of 5,6-dichloro-2,3-dicyanosemiquinone radical anion (DDQ) with 4-cyano-N-methylpyr
Externí odkaz:
https://doaj.org/article/59588cbc13be4fc0b467bcbb331a3a69
Autor:
David Stephen Arputharaj, Meenashi Rajasekaran, Christian Jelsch, Saravanan Kandasamy, Abdullah G. Al-Sehemi
Publikováno v:
Heliyon, Vol 8, Iss 6, Pp e09608- (2022)
Possible polymorphic forms of the chemotherapy drug, temozolomide were predicted from the ab initio and DFT methods. The lattice minimization via distributed multipole analysis was carried out for the hypothetical generated structures. A crystal with
Externí odkaz:
https://doaj.org/article/8696695ebf1549b48c0375fde421a359
Publikováno v:
Symmetry, Vol 15, Iss 3, p 738 (2023)
The synthesis and spectroscopic characterisation of six bis(5-X-pyridine-2-yl)isophthalamides (X = H, F, Br, Cl, I, NO2) are reported, together with five crystal structure analyses (for X = H, F to I). The isophthalamides span a range of conformation
Externí odkaz:
https://doaj.org/article/31499fe17a984b0da839e92ef574f3c9
Autor:
Elodie Goldwaser, Catherine Laurent, Nathalie Lagarde, Sylvie Fabrega, Laure Nay, Bruno O Villoutreix, Christian Jelsch, Arnaud B Nicot, Marie-Anne Loriot, Maria A Miteva
Publikováno v:
PLoS Computational Biology, Vol 18, Iss 1, p e1009820 (2022)
Cytochrome P450 2C9 (CYP2C9) is a major drug-metabolizing enzyme that represents 20% of the hepatic CYPs and is responsible for the metabolism of 15% of drugs. A general concern in drug discovery is to avoid the inhibition of CYP leading to toxic dru
Externí odkaz:
https://doaj.org/article/676c54c1293346ed92495073dc34d425
Autor:
Ignacio Chi-Duran, Zouaoui Setifi, Fatima Setifi, Christian Jelsch, Bernd Morgenstern, Andres Vega, Felipe Herrera, Dinesh Pratap Singh, Kaspar Hegetschweiler, Rabab Boyaala
Publikováno v:
Acta Crystallographica Section E: Crystallographic Communications, Vol 75, Iss 6, Pp 867-871 (2019)
The title compound, [Ni(C10H8N2)3](C9H5N4O)2·2H2O, crystallizes as a racemic mixture in the monoclinic space group C2/c. In the crystal, the 1,1,3,3-tetracyano-2-ethoxypropenide anions and the water molecules are linked by O—H...N hydrogen bonds,
Externí odkaz:
https://doaj.org/article/e4f6913668d742e29a062474fb9dd108