ORTEP-3 for Windows - a version of ORTEP-III with a Graphical User Interface (GUI)
01 Oct 1997-Journal of Applied Crystallography (International Union of Crystallography)-Vol. 30, Iss: 5, pp 565-565
TL;DR: 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)
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TL;DR: In this article, a series of neutral luminescent three-coordinate Cu(I) complexes (IPr)Cu(N∧N), where IPr is a monodentate N-heterocyclic carbene (NHC) ligand, have been synthesized and characterized.
107 citations
TL;DR: Ab initio calculations demonstrate that the strength of the azido Gauche effect is comparable to that of the well-known "fluorine gauche effect".
Abstract: The “azido gauche effect” was examined both experimentally and theoretically and was found to determine the conformation of, for example, (4R)- and (4S)-azidoproline (Azp) derivatives. For (4R)Azp derivatives, the azido gauche effect induces a preferred C(4)-exo conformation of the pyrrolidine ring, which leads to stabilization of the s-trans amide conformer of, e.g., Ac-(4R)Azp-OCH3 (5R) via an n→π* interaction between the nonbonding electrons of the oxygen of the acetyl group and the carbonyl group of the ester. For (4S)Azp derivatives, the azido gauche effect results in a C(4)-endo conformation of the pyrrolidine ring that does not allow for this stabilizing n→π* interaction of the s-trans conformer. Consequently, a significantly higher s-trans:s-cis amide conformer ratio is observed for (4R)Azp compared to (4S)Azp derivatives (e.g., 6.1:1 versus 2.6:1 in D2O for Ac-(4R)Azp-OCH3 (5R) compared to Ac-(4S)Azp-OCH3 (5S)). These conformational preferences are reflected in the higher tendency of (4S)Azp-cont...
106 citations
TL;DR: The results of Western blot analyses suggest that complexes 3 and 6 accumulate preferentially in the mitochondria of MDA-MB-231 cells and induce apoptosis via mitochondrial pathways by up-regulating p53 and Bax, and down- Regulating Bcl-2.
Abstract: A convenient method for the synthesis of ruthenium(II) arene benzhydrazone complexes (1–6) of the general formula [(η6-arene)Ru(L)Cl] (arene-benzene or p-cymene; L-monobasic bidentate substituted indole-3-carboxaldehye benzhydrazone derivatives) has been described. The complexes have been fully characterized via elemental analysis, IR, UV-vis, NMR and ESI-MS spectral methods. The solid-state molecular structures of the representative complexes were determined using a single-crystal X-ray diffraction study and the results indicated the presence of a pseudo octahedral (piano stool) geometry. All the complexes were thoroughly screened for their cytotoxicity against human cervical cancer cells (HeLa), human breast cancer cell line (MDA-MB-231) and human liver carcinoma cells (Hep G2) under in vitro conditions. Interestingly, the cytotoxic activity of complexes 3, 4 and 6 is much more potent than cis-platin with low IC50 values against all the cancer cell lines tested. Furthermore, the mode of cell death in the MDA-MB-231 cells was assessed via AO–EB staining, Hoechst 33258 staining, flow cytometry and comet assay. Furthermore, the results of Western blot analyses suggest that complexes 3 and 6 accumulate preferentially in the mitochondria of MDA-MB-231 cells and induce apoptosis via mitochondrial pathways by up-regulating p53 and Bax, and down-regulating Bcl-2.
106 citations
TL;DR: The application of Dithieno[3,2-b:2.2-c:2′,3′-d]pyrroles (DTPs) in conjugated organic polymers has resulted in a variety of materials with reduced and low band gaps that exhibit high carrier mobilities, as well as enhanced solution and solid state fluorescence.
106 citations
TL;DR: In this paper, the authors have characterized 1H, 13C{1H}, 77Se{ 1H}, and 125Te{1h} NMR spectroscopy and X-ray crystallography.
105 citations