Journal ArticleDOI
ORTEP-3 for Windows - a version of ORTEP-III with a Graphical User Interface (GUI)
TLDR
L Lists of software presented and~or reviewed in the Journal of Applied Crystallography are available on the World Wide Web at the above address, together with information about the availability of the software where this is known.Abstract:
Computer Program Abstracts The category Computer Program Abstracts provides a rapid means of communicating up-to-date information concerning both new programs or systems and significant updates to existing ones. Following normal submission, a Computer Program Abstract will be reviewed by one or two members of the IUCr Commission on Crystallographic Computing. It should not exceed 500 words in length and should follow the standard format given on page 189 of the June 1985 issue of the Journal [J. Appl. CrysL (1985). 18, 189190] and on the World Wide Web at http://www.iucr. ac. uk/journals/jac/software/. Lists of software presented and~or reviewed in the Journal of Applied Crystallography are available on the World Wide Web at the above address, together with information about the availability of the software where this is known. J. App/. CrysL (1997). 30, 565 ORTEP-3 for Windows a version of ORTEP-III with a Graphical User Interface (GUI)read more
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Maltol‐Derived Ruthenium–Cymene Complexes with Tumor Inhibiting Properties: The Impact of Ligand–Metal Bond Stability on Anticancer Activity In Vitro
Wolfgang Kandioller,Christian G. Hartinger,Alexey A. Nazarov,Alexey A. Nazarov,Caroline Bartel,Matthias Skocic,Michael A. Jakupec,Vladimir B. Arion,Bernhard K. Keppler +8 more
TL;DR: The aquation behavior of pyrone systems with electron-donating substituents and of thiopyrone complexes was found to be significantly different from that of the maltol-type complex reported previously, and the higher stability of the latter probably renders them active against human tumor cells.
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Structural plasticity of malaria dihydroorotate dehydrogenase allows selective binding of diverse chemical scaffolds.
Xiaoyi Deng,Ramesh Gujjar,Farah El Mazouni,Werner Kaminsky,Nicholas A. Malmquist,Elizabeth J. Goldsmith,Pradipsinh K. Rathod,Margaret A. Phillips +7 more
TL;DR: In this paper, the x-ray structure determination of Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) was validated as a new drug target through the identification of potent and selective triazolopyrimidine-based DHODH inhibitors with antimalarial activity in vivo.
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Unprecedented structural variations in trinuclear mixed valence Co(II/III) complexes: theoretical studies, pnicogen bonding interactions and catecholase-like activities
Alokesh Hazari,Lakshmi Kanta Das,Ramakant Mahadeo Kadam,Antonio Bauzá,Antonio Frontera,Ashutosh Ghosh +5 more
TL;DR: Three new mixed valence trinuclear Co(II/III) compounds synthesized by reacting a di-Schiff base ligand with cobalt perchlorate hexahydrate and sodium azide show catecholase-like activities in the aerial oxidation of 3,5-di-tert-butylcatechol to the corresponding o-quinone.
Journal ArticleDOI
Catalytic Dehydrogenative Borylation of Terminal Alkynes by a SiNN Pincer Complex of Iridium
TL;DR: A new iridium catalyst is reported that is strictly chemoselective for C-H borylation of terminal alkynes and appears to be the new ancillary SiNN pincer ligand that combines amido, quinoline, and silyl donors and gives rise to structurally unusual Ir complexes.
Journal ArticleDOI
Spectroscopic and structural characterization of the CyNHC adduct of B2pin2 in solution and in the solid state.
Christian Kleeberg,Andrew G. Crawford,Andrei S. Batsanov,Paul Hodgkinson,David C. Apperley,Man Sing Cheung,Zhenyang Lin,Todd B. Marder +7 more
TL;DR: In solution, the binding is weak, and NMR spectroscopy reveals a rapid exchange of the NHC between the two boron centers, and DFT calculations reveal that the exchange involves dissociation and reassociation of NHC rather than an intramolecular process.