Search results for "9H"
showing 10 items of 204 documents
Retracted papers on SARS-CoV-2 and COVID-19
2021
CCDC 612661: Experimental Crystal Structure Determination
2009
Related Article: E.W.Reinheimer, J.R.Galan-Mascaros, K.R.Dunbar|2009|Synth.Met.|159|45|doi:10.1016/j.synthmet.2008.07.017
CCDC 2080285: Experimental Crystal Structure Determination
2022
Related Article: Essi Taipale, Nikita A. Durandin, Jagadish K. Salunke, Nuno R. Candeias, Tero-Petri Ruoko, Jas S. Ward, Arri Priimagi, Kari Rissanen|2022|Mat.Advs.|3|1703|doi:10.1039/D1MA00438G
CCDC 1024204: Experimental Crystal Structure Determination
2014
Related Article: K. Gajda, B. Zarychta, K. Kopka, Z. Daszkiewicz, K. Ejsmont|2014|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|70|987|doi:10.1107/S2053229614020634
Design, Synthesis and Biological Evaluation of 7-Chloro-9
2019
Glycogen synthase kinase-3β (GSK-3β) represents a relevant drug target for the treatment of neurodegenerative pathologies including Alzheimer’s disease. We herein report on the optimization of a novel class of GSK-3β inhibitors based on the tofacitinib-derived screen hit 3-((3R,4R)-3-((7-chloro-9H-pyrimido[4,5-b]indol-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile (1). We synthesized a series of 19 novel 7-chloro-9H-pyrimido[4,5-b]indole-based derivatives and studied their structure–activity relationships with focus on the cyanoacetyl piperidine moiety. We unveiled the crucial role of the nitrile group and its importance for the activity of this compound series. A successfu…
Light Dark Matter Search with Ionization Signals in XENON1T
2019
We report constraints on light dark matter (DM) models using ionization signals in the XENON1T experiment. We mitigate backgrounds with strong event selections, rather than requiring a scintillation signal, leaving an effective exposure of (22±3) tonne day. Above ∼0.4 keVee, we observe <1 event/(tonne day keVee), which is more than 1000 times lower than in similar searches with other detectors. Despite observing a higher rate at lower energies, no DM or CEvNS detection may be claimed because we cannot model all of our backgrounds. We thus exclude new regions in the parameter spaces for DM-nucleus scattering for DM masses mχ within 3–6 GeV/c2, DM-electron scattering for mχ>30 MeV/c2, a…
The NK Cell Response to Mouse Cytomegalovirus Infection Affects the Level and Kinetics of the Early CD8+ T-Cell Response
2012
ABSTRACT Natural killer (NK) cells and CD8 + T cells play a prominent role in the clearance of mouse cytomegalovirus (MCMV) infection. The role of NK cells in modulating the CD8 + T-cell response to MCMV infection is still the subject of intensive research. For analyzing the impact of NK cells on mounting of a CD8 + T-cell response and the contribution of these cells to virus control during the first days postinfection (p.i.), we used C57BL/6 mice in which NK cells are specifically activated through the Ly49H receptor engaged by the MCMV-encoded ligand m157. Our results indicate that the requirement for CD8 + T cells in early MCMV control inversely correlates with the engagement of Ly49H. W…
CCDC 809191: Experimental Crystal Structure Determination
2012
Related Article: J.T.Koivunen, L.Nissinen, J.Kapyla, J.Jokinen, M.Pihlavisto, A.Marjamaki, J.Heino, J.Huuskonen, O.T.Pentikainen|2011|J.Am.Chem.Soc.|133|14558|doi:10.1021/ja206086c
DFT and experimental studies on structure and spectroscopic parameters of 3,6-diiodo-9-ethyl-9H-carbazole
2015
The first report on crystal and molecular structure of 3,6-diiodo-9-ethyl-9H-carbazole is presented. Experimental room-temperature X-ray and 13C chemical shift studies were supported by advanced theoretical calculations using density functional theory (DFT). The 13C nuclear magnetic shieldings were predicted at the non-relativistic and relativistic level of theory using the zeroth-order regular approximation (ZORA). Theoretical relativistic calculations of chemical shifts of carbons C3 and C6, directly bonded to iodine atoms, produced a reasonable agreement with experiment (initial deviation from experiment of 44.3 dropped to 4.25 ppm). The changes in ring aromatic character via simple harm…
Molecular modeling and experimental studies on structure and NMR parameters of 9-benzyl-3,6-diiodo-9H-carbazole
2015
A combined experimental and theoretical study has been performed on 9-benzyl-3,6-diiodo-9H-carbazole. Experimental X-ray (100.0 K) and room-temperature 13C NMR studies were supported by advanced density functional theory (DFT) calculations. The non relativistic structure optimization was performed and the 13C nuclear magnetic shieldings were predicted at the relativistic level of theory using the Zeroth Order Regular Approximation (ZORA). The changes in the benzene and pyrrole rings compared to the unsubstituted carbazole or the parent molecules were discussed in terms of aromaticity changes using the harmonic oscillator model of aromaticity (HOMA) and the nucleus independent chemical shift…