Zobrazeno 1 - 10
of 22
pro vyhledávání: '"Daniel Tchoń"'
Autor:
Johannes P. Blaschke, Robert Bolotovsky, Aaron S. Brewster, Jeffrey Donatelli, Antoine DuJardin, Wu-chun Feng, Vidya Ganapati, Wilko Kroeger, Derek Mendez, Peter McCorquodale, Seema Mirchandaney, Christopher P. O'Grady, Daniel W. Paley, Amedeo Perazzo, Frederic P. Poitevin, Billy K. Poon, Vinay B. Ramakrishnaiah, Nicholas K. Sauter, Niteya Shah, Elliott Slaughter, Christine Sweeney, Daniel Tchoń, Monarin Uervirojnangkoorn, Felix Wittwer, Michael E. Wall, Chun Hong Yoon, Iris D. Young
Publikováno v:
Frontiers in High Performance Computing, Vol 2 (2024)
ExaFEL is an HPC-capable X-ray Free Electron Laser (XFEL) data analysis software suite for both Serial Femtosecond Crystallography (SFX) and Single Particle Imaging (SPI) developed in collaboration with the Linac Coherent Lightsource (LCLS), Lawrence
Externí odkaz:
https://doaj.org/article/83b95d45fe1d485199e57788656f6913
Publikováno v:
ACS Omega, Vol 9, Iss 16, Pp 18224-18237 (2024)
Externí odkaz:
https://doaj.org/article/18dcb356a5334cbdaaa5bc1a3a4719f9
Publikováno v:
Dalton Transactions. 51:14865-14874
A H4B4O92− ion which makes up the (NH4)2B4O5(OH)4·2H2O crystal structure has two types of boron–oxygen bonds, i.e. single B–O bonds and an intermediate between single and double BO bonds.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fb64cd86945d7b0298a8535f81f36a62
https://doi.org/10.1039/d2dt02442j
https://doi.org/10.1039/d2dt02442j
Publikováno v:
Journal of Materials Chemistry C. 9:2491-2503
1,8-Diacetylpyrene (2′′AP) is an aromatic compound exhibiting aggregation-induced emission enhancement, with crystal structure predominantly stabilized by dispersive interactions. It was claimed to have a single stable crystal form uniquely defin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8f0f20b767473001d8627b2a7db5e114
https://doi.org/10.1039/d0tc05522k
https://doi.org/10.1039/d0tc05522k
Publikováno v:
Journal of Molecular Structure. 1265:133338
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::eb9af1e172ecc02a1526ce241f9ef1c8
https://doi.org/10.1016/j.molstruc.2022.133338
https://doi.org/10.1016/j.molstruc.2022.133338
Publikováno v:
CrystEngComm. 21:5845-5852
Structures of three polymorphs of 1-acetylpyrene were determined using single-crystal X-ray diffraction and their solid state luminescence was investigated. While the formerly known 1AP-α polymorph, with its herringbone packing motif, is proved to b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a449d1f1ec4628df40bdb10c16441b40
https://doi.org/10.1039/c9ce01203f
https://doi.org/10.1039/c9ce01203f
Autor:
Christian G. Hartinger, Jóhannes Reynisson, Damian Plażuk, Daniel Tchoń, Andrzej Błauż, Aleksandra Budniok, Kelvin K. H. Tong, Michał Łomzik, Stephen M. F. Jamieson, Barbara Leśniewska, Muhammad Hanif, Ayesha Zafar, Błażej Rychlik, Sanam Movassaghi, Tilo Söhnel, Anna Makal
Publikováno v:
Inorganic Chemistry
Ispinesib is a potent inhibitor of kinesin spindle protein (KSP), which has been identified as a promising target for antimitotic anticancer drugs. Herein, we report the synthesis of half-sandwich complexes of Ru, Os, Rh, and Ir bearing the ispinesib
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::706c59c51ac9bd51f66f76616e616b8a
https://hdl.handle.net/11089/38809
https://hdl.handle.net/11089/38809
Publikováno v:
Zeitschrift für Kristallographie - Crystalline Materials. 233:649-661
High-resolution low-temperature X-ray diffraction experiments for doxycycline monohydrate and hydrochloride dihydrate have been performed. Translation-Libration-Screw (TLS) analysis for both crystal forms as well as the data from neutron diffraction
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9b30da0b7122c41d0c1ec93c3b7f7d9d
https://doi.org/10.1515/zkri-2018-2058
https://doi.org/10.1515/zkri-2018-2058
Autor:
Daniel Tchoń, Anna Makal
Publikováno v:
Acta Crystallographica Section A Foundations and Advances. 77:C1212-C1212
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::03b874f5c1de1e10f8b31dd7fae06a5c
https://doi.org/10.1107/s0108767321084993
https://doi.org/10.1107/s0108767321084993
Autor:
Daniel Tchoń, Anna Makal
Publikováno v:
Acta crystallographica Section B, Structural science, crystal engineering and materials. 75(Pt 3)
The crystal structure of pyrene-1-carbaldehyde (PA), a model polyaromatic hydrocarbon, highly luminescent in the solid state and crystallizing in the triclinic system, has been re-determined at several pressures ranging from atmospheric up to 3 GPa u
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bce0bbd6b8154b027c78128281930a14
https://pubmed.ncbi.nlm.nih.gov/32830656
https://pubmed.ncbi.nlm.nih.gov/32830656