Search results for " 1H"
showing 10 items of 23 documents
CCDC 1000179: Experimental Crystal Structure Determination
2015
Related Article: Zsolt Szakonyi, István Zupkó, Reijo Sillanpää and Ferenc Fülöp|2014|Molecules|19|15918|doi:10.3390/molecules191015918
1H NMR methodologies applied in the thermodynamic and structural characterization of organic supramolecular complexes
2021
Orientador: Anita Jocelyne Marsaioli Tese (doutorado) - Universidade Estadual de Campinas, Instituto de Química Resumo: Nesta tese consiste no estudo de interações supramoleculares utilizando diferentes metodologias de Ressonância Magnética Nuclear de hidrogênio (RMN de 1H), tais como ROESY 1D, RMN-DOSY e RMN-STD. Os sistemas supramoleculares foram abordados em dois casos de estudo diferentes. O Capítulo I tem como objeto de estudo interações do fármaco Dapsona com diferentes carreadores de fármacos (ß-CD, SBE-ß-CD e lipossoma de EPC), com a finalidade de encontrar formulações nas quais a Dapsona seja mais solúvel. Os complexos binários e ternário formados foram determinadas por medidas de …
Wind-luminosity evolution in NLS1 AGN 1H 0707−495
2021
Ultra-fast outflows (UFOs) have been detected in the high-quality X-ray spectra of a number of active galactic nuclei (AGN) with fairly high accretion rates and are thought to significantly contribute to the AGN feedback. After a decade of dedicated study, their launching mechanisms and structure are still not well understood, but variability techniques may provide useful constraints. In this work, therefore, we perform a flux-resolved X-ray spectroscopy on a highly accreting and variable NLS1 AGN, 1H 0707-495, using all archival XMM-Newton observations to study the structure of the UFO. We find that the wind spectral lines weaken at higher luminosities, most likely due to an increasing ion…
Novel 1H‑Pyrrolo[2,3‑b]pyridine Derivative Nortopsentin Analogues: Synthesis and Antitumor Activity in Peritoneal Mesothelioma Experimental Models
2013
In this study, we describe the synthesis of new nortopsentin analogues, 1H-pyrrolo[2,3-b]pyridine derivatives and their biological effects in experimental models of diffuse malignant peritoneal mesothelioma (DMPM), a rare and rapidly fatal disease, poorly responsive to conventional therapies. The three most active compounds, 1f (3-[2-(5-fluoro-1-methyl-1H-indol-3- yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine), 3f (3-[2-(1H-indol-3-yl)-1,3- thiazol-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine), and 1l (3-[2-(5-fluoro-1- methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrrolo[2,3-b] pyridine), which were shown to act as cyclin-dependent kinase 1 inhibitors, consistently reduced DMPM cell p…
Complete 1H and 13C NMR assignments of clerodane diterpenoids of Salvia splendens.
2006
Unambiguous and complete assignments of 1H and 13C NMR chemical shifts for five clerodane diterpenes, four of them isolated from Salvia splendens (salviarin, splendidin and splenolides A and B) and one obtained by acetylation of splenolide A, are presented. The assignments are based on 2D shift-correlated [1H,1H–COSY, 1H,13C-gHSQC–1J(C,H) and 1H,13C-gHMBC-nJ(C,H) (n = 2 and 3)] and nuclear Overhauser effect (NOE) experiments. The conformation of the rings of these compounds is supported by the 3J(H,H) values and NOE results. Copyright © 2006 John Wiley & Sons, Ltd.
Combined proton NMR wideline and NMR relaxometry to study SOM-water interactions of cation-treated soils
2013
Abstract Focusing on the idea that multivalent cations affect SOM matrix and surface, we treated peat and soil samples by solutions of NaCl, CaCl2 or AlCl3. Water binding was characterized with low field 1H-NMR-relaxometry (20 MHz) and 1H wideline NMR spectroscopy (400 MHz) and compared to contact angles. From 1H wideline, we distinguished mobile water and water involved in water molecule bridges (WaMB). Large part of cation bridges (CaB) between SOM functional groups are associated with WaMB. Unexpectedly, 1H NMRrelaxometry relaxation rates suggest that cross-linking in the Al-containing peat is not stronger than that by Ca. The relation between percentage of mobile water and WaMB water in…
CCDC 606862: Experimental Crystal Structure Determination
2009
Related Article: Hongsheng Liu, C.J.Gomez-Garcia, Jun Peng, Jingquan Sha, Lixia Wang, Yechao Yan|2009|Inorg.Chim.Acta|362|1957|doi:10.1016/j.ica.2008.09.014
Precise measurement of 1H 90° pulse in solid-state NMR spectroscopy for complex and heterogeneous molecular systems
2007
The 90 degrees pulse calibration is essential in NMR spectroscopy to prevent artefacts in the liquid state or to enhance cross-polarization efficiency in the solid state. We verified pulse-angle (PA) errors due to circuit impedances in solid-state NMR and suggested a possible solution to prevent the inconvenience of PA errors. The classic pulse sequences used to calibrate (1)H 90 degrees pulse lengths by direct detection of protons or by cross-polarization were modified in order to replace single (1)H pulses with (1)H pulse trains. Pulse trains were found to decrease the effect of PA imperfections in the calibration of basic pulses (i.e. 90 degrees and 180 degrees ) for a number of organic …
N-(INDAZOLYL)BENZAMIDO DERIVATIVES AS CDK1 INHIBITORS: DESIGN, SYNTHESIS, BIOLOGICAL ACTIVITY, AND MOLECULAR DOCKING STUDIES
2009
A series of N-1H-indazole-1-carboxamides has been synthesized and their effects on both CDK1/cyclin B and the K-562 (human chronic myelogenus leukemia) cell line were evaluated. Using a computational model, we have observed that all the most active compounds 9e, f, i-n exhibited the same binding mode of purvanalol A in the ATP-binding cleft. Although they were able to moderately inhibit the leukemic cell line K-562 and to show inhibitory activity against the Cdc2-Cyclin B kinase in the low micromolar range, they turned out to be non-cytotoxic against HuDe (IZSL) primary cell cultures from human derm. These preliminary results are quite encouraging in view of the low toxicity demonstrated by…
Proteīndisulfīdizomerāzes A17 izoformas strukturālie un funkcionālie pētījumi
2020
Bakalaura darba mērķis ir izpētīt PDI A17 (AGR2) izoformas strukturālās un funkcionālās īpašības, pro-onkogēno proteīndisulfīdu izomerāžu (PDI) selektīvo inhibitoru meklēšanas projekta ietvaros. Šīm nolūkam izstrādāt protokolu PDI A17 iegūšanai aktīvā formā, un piemērot proteīnu kodolu magnētiskās rezonanses (KMR) spektroskopijas pētīšanas metodei. Izpētīt saistību starp neaktivēto un aktivēto aziridīn-2-karbonskābes atvasinājumiem un PDI A17 izoformu. Šajā darbā aprakstīta optimizētas PDI A17 izoformas iegūšana, pamatoti izvēlētie apstākļi un metodes proteīna-ligandu saistības testēšanai ar 2D 1H-15N-HSQC eksperimenta palīdzību. Darbā arī ir aprakstīti pirmie rezultāti par aziridīn-2-karbo…