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971.
Cyrille Charpentier Jérémy Salaam Dr. Aline Nonat Fabio Carniato Dr. Olivier Jeannin Dr. Isabel Brandariz Dr. David Esteban-Gomez Dr. Carlos Platas-Iglesias Dr. Loïc J. Charbonnière Prof. Mauro Botta 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(24):5407-5418
The heptadentate ligand L was shown to form an extremely stable Gd complex at neutral pH with a pGd value of 18.4 at pH 7.4. The X-ray crystal structures of the complexes formed with Gd and Tb displayed two very different coordination behaviors being, respectively, octa- and nonacoordinated. The relaxometric properties of the Gd complex were studied by field-dependent relaxivity measurements at various temperatures and by 17O NMR spectroscopy. The pH-dependence of the longitudinal relaxivity profile indicated large changes around neutral pH leading to a very large value of 10.1 mm −1⋅s−1 (60 MHz, 298 K) at pH 4.7. The changes were attributed to an increase of the hydration number from one water molecule in basic conditions to two at acidic pH. A similar trend was observed for the luminescence of the Eu complex, confirming the change in hydration state. DOSY experiments were performed on the Lu analogue, pointing to the absence of dimers in solution in the considered pH range. A breathing mode of the complex was postulated, which was further supported by 1H and 31P NMR spectroscopy of the Yb complex at varying pH and was finally modeled by DFT calculations. 相似文献
972.
Ruzzarin Anelise Lima da Cruz Paulo Alberto de Almeida Rangel Johnny da Silva Carlos José Iwahara Akira Lopes Ricardo Tadeu 《Journal of Radioanalytical and Nuclear Chemistry》2020,323(2):721-729
Journal of Radioanalytical and Nuclear Chemistry - A procedure for characterizing the activity amount of 125I seed was developed in order to establish a secondary standard activity measurement... 相似文献
973.
Carvalho Patricia R. Munita Casimiro S. Neves Eduardo G. Zimpel Carlos A. 《Journal of Radioanalytical and Nuclear Chemistry》2020,324(3):1053-1058
Journal of Radioanalytical and Nuclear Chemistry - This research aims to contribute to the discussion of ceramic objects found at the Monte Castelo shellmound, an archaeological site located at... 相似文献
974.
Arboleda Paula A. Rincón Jesús Ma. González Oliver Carlos J. R. 《Journal of Thermal Analysis and Calorimetry》2022,147(21):11715-11728
Journal of Thermal Analysis and Calorimetry - A new set of iron-uranium phosphate glasses containing (1–20) UO2.67. (10–20) Fe2O3. (55–68) P2O5 (mass/%) were melted adequately.... 相似文献
975.
Pastor-Belda Marta Arroyo-Manzanares Natalia Campillo Natalia Vias Pilar Guluarte Crystal Angulo Carlos Esteban Mara ngeles 《Chromatographia》2022,85(4):353-363
Chromatographia - Nucleobases, nucleosides and nucleotides can act as chemical markers and immunnostimulants. Ultra-high-performance liquid chromatography with electrospray ionization and... 相似文献
976.
977.
CáRDENAS Carlos MU?OZ Macarena CONTRERAS Julia AYERS Paul W. GóMEZ Tatiana FUENTEALBA Patricio 《物理化学学报》2018,34(6):631-638
Chemical reactivity towards electron transfer is captured by the Fukui function.However,this is not well defined when the system or its ions have degenerate or pseudo-degenerate ground states.In such a case,the first-order chemical response is not independent of the perturbation and the correct response has to be computed using the mathematical formalism of perturbation theory for degenerate states.Spatialpseudo-degeneracy is ubiquitous in nanostructures with high symmetry and totally extended systems.Given the size of these systems,using degenerate-state perturbation theory is impractical because it requires the calculation of many excited states.Here we present an alternative to compute the chemical response of extended systems using models of local softness in terms of the local density of states.The local softness is approximately equal to the density of states at the Fermi level.However,such approximation leaves out the contribution of inner states.In order to include and weight the contribution of the states around the Fermi level,a model inspired by the long-range behavior of the local softness is presented.Single wall capped carbon nanotubes(SWCCNT) illustrate the limitation of the frontier orbital theory in extended systems.Thus,we have used a C360 SWCCNT to test the proposed model and how it compares with available models based on the local density of states.Interestingly,a simple Hü ckel approximation captures the main features of chemical response of these systems.Our results suggest that density-of-states models of the softness along simple tight binding Hamiltonians could be used to explore the chemical reactivity of more complex system,such a surfaces and nanoparticles. 相似文献
978.
Hiren Solanki Carlos Angulo-Preckler Kevin Calabro Navdeep Kaur Perrine Lasserre Bastien Cautain Mercedes de la Cruz Fernando Reyes Conxita Avila Olivier P. Thomas 《Tetrahedron letters》2018,59(36):3353-3356
Following ecological and chemical screenings, the Antarctic sponge Phorbas areolatus was chemically investigated for the first time. Three new suberitane derivatives named isosuberitenone B, 19-episuberitenone B, and isoxaspirosuberitenone were identified together with the known compounds suberitenones A and B, and oxaspirosuberitenone after a thorough inspection of their NMR data. These compounds were found to exhibit moderate cytotoxic activity and their presence in this sponge rules out their use as a chemotaxonomic marker for Suberites sponges. 相似文献
979.
The reactivity of 2,3-dehydroproline and 2,3-dehydropipecolic acid methyl ester derivatives with S-nucleophiles in the thio-Michael addition reaction has been explored. The addition of triphenylmethanethiol and subsequent trityl cleavage led to the corresponding cis- and trans-(±)-3-mercaptoproline and pipecolic acid derivatives in good yields. 相似文献
980.
Carlos Urda Marta Pérez Jaime Rodríguez Rogelio Fernández Carlos Jiménez Carmen Cuevas 《Tetrahedron letters》2018,59(26):2577-2580
A new cytotoxic polycyclic alkaloid containing a quinoline moiety, njaoamine I (1) has been isolated from the methanol extract of the sponge Haliclona (Reniera) sp. collected at Okuza Island, Tanzania. The structure of compound 1 was determined by 1D and 2D NMR and HRMS data analysis. Its relative configuration was elucidated by a NOESY experiment and confirmed by comparison of its NMR spectral data to those of njaoamines A–H. Moreover, njaoamine G (2) was also detected by LC/MS analysis of the methanol extract. Njaoamine I (1) displays cytotoxic activity against a panel of three human tumor cell lines in the micromolar range. 相似文献