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121.
P. L. López-de-Alba S. García González J. Gómez Lara 《Journal of Radioanalytical and Nuclear Chemistry》1989,136(3):203-210
The precipitation of uranyl ion with 2-hydroxy-1-naphthaldehyde /2H–1N=HL/ was studied. The solid complex /orange crystals/ was characterized by IR, UV-Vis spectra. Uranium was determined as U3O8 after calcination of the complex at 850°C /37.78% U experimental, 36.64% U calculated for C22H14O6U, UO2L2/. Using a statistical experimental design, the best conditions for quantitative precipitation were obtained. A gravimetric method for the determination of UO
2
2+
is proposed by weighing the complex after drying at 110°C.On leave from Instituto de Química, U.N.A.M. 相似文献
122.
123.
Araujo E Rodríguez-Malave AJ González AM Rojas OJ Peñaloza N Bullón J Lara MA Dmitrieva N 《Applied biochemistry and biotechnology》2002,97(2):91-103
In this work, the effect of Fento’s reagent on the degradation of residual Kraft black liquor was investigated. The effect
of Fenton’s reagent on the black liquor degradation was dependent on the concentration of H2O2. At low concentrations (5 and 15 mM) of H2O2, Fenton’s reagent caused the degradation of phenolic groups (6.8 and 44.8%, respectively), the reduction of reaction medium
pH (18.2%), and the polymerization of black liquor lignin. At a high concentration (60 mM) of H2O2, Fenton’s reagent induced an extensive degradation of lignin (95–100%) and discoloration of the black liquor. In the presence
of traces of iron, the addition of H2O2 alone induced mainly lignin fragmentation. In conclusion, Fenton’s reagent and H2O2 alone can degrade residual Kraft black liquor under acidic conditions at room temperature. 相似文献
124.
125.
In this work an iteration one-step method to integrate systems of nonlinear ordinary differential equations with initial values is presented 相似文献
126.
Lorraine Martins Rocha Orlando Guilherme Curty Lechuga Leonardo da Silva Lara Byanca Silva Ferreira Cynthia Nathalia Pereira Rafaela Corrêa Silva Maurício Silva dos Santos Mirian Claudia S. Pereira 《Molecules (Basel, Switzerland)》2021,26(21)
Chagas disease, a chronic and silent disease caused by Trypanosoma cruzi, is currently a global public health problem. The treatment of this neglected disease relies on benznidazole and nifurtimox, two nitroheterocyclic drugs that show limited efficacy and severe side effects. The failure of potential drug candidates in Chagas disease clinical trials highlighted the urgent need to identify new effective chemical entities and more predictive tools to improve translational success in the drug development pipeline. In this study, we designed a small library of pyrazole derivatives (44 analogs) based on a hit compound, previously identified as a T. cruzi cysteine protease inhibitor. The in vitro phenotypic screening revealed compounds 3g, 3j, and 3m as promising candidates, with IC50 values of 6.09 ± 0.52, 2.75 ± 0.62, and 3.58 ± 0.25 µM, respectively, against intracellular amastigotes. All pyrazole derivatives have good oral bioavailability prediction. The structure–activity relationship (SAR) analysis revealed increased potency of 1-aryl-1H-pyrazole-imidazoline derivatives with the Br, Cl, and methyl substituents in the para-position. The 3m compound stands out for its trypanocidal efficacy in 3D microtissue, which mimics tissue microarchitecture and physiology, and abolishment of parasite recrudescence in vitro. Our findings encourage the progression of the promising candidate for preclinical in vivo studies. 相似文献
127.
Danielle C. Teles-Ferreira Cristian Manzoni Lara Martínez-Fernndez Giulio Cerullo Ana Maria de Paula Rocío Borrego-Varillas 《Molecules (Basel, Switzerland)》2022,27(4)
Understanding the primary steps following UV photoexcitation in sulphur-substituted DNA bases (thiobases) is fundamental for developing new phototherapeutic drugs. However, the investigation of the excited-state dynamics in sub-100 fs time scales has been elusive until now due to technical challenges. Here, we track the ultrafast decay mechanisms that lead to the electron trapping in the triplet manifold for 6-thioguanine in an aqueous solution, using broadband transient absorption spectroscopy with a sub-20 fs temporal resolution. We obtain experimental evidence of the fast internal conversion from the S2(ππ*) to the S1(nπ*) states, which takes place in about 80 fs and demonstrates that the S1(nπ*) state acts as a doorway to the triplet population in 522 fs. Our results are supported by MS-CASPT2 calculations, predicting a planar S2(ππ*) pseudo-minimum in agreement with the stimulated emission signal observed in the experiment. 相似文献
128.
The superionic conductor, solid state, and body-centered cubic structure, silver iodide at room temperature, has been studied via molecular dynamics simulations. The calculated results using pairwise Coulomb-Buckingham potential, zero pressure on the sample, a semi-rigid model system of 1000 Ag and 1000 I ions, () as a statistical ensemble, and an effective charge of for the pairs Ag-Ag and I-I, were found to be consistent with experimental data and one study using , different potential, and simulation software. For the pair Ag-I, there is a discrepancy due to the high silver ion diffusion. The calculated value of the diffusion constant of the silver ion is greater than iodide ion. The dynamic transport properties (mean square displacement, velocity autocorrelation function) results indicated typical behavior reported by other authors, using different potentials in their DM simulations for iodine and silver ions. 相似文献
129.
Giulia Bononi Valentina Citi Margherita Lapillo Alma Martelli Giulio Poli Tiziano Tuccinardi Carlotta Granchi Lara Testai Vincenzo Calderone Filippo Minutolo 《Molecules (Basel, Switzerland)》2022,27(19)
Sirtuin 1 (SIRT1) is a NAD+-dependent deacetylase implicated in various biological and pathological processes, including cancer, diabetes, and cardiovascular diseases. In recent years, SIRT1-activating compounds have been demonstrated to exert cardioprotective effects. Therefore, this enzyme has become a feasible target to treat cardiovascular diseases, and many SIRT1 activators, of a natural or synthetic origin, have been identified. In the present work, we developed thiazole-based SIRT1 activators, which showed remarkably higher SIRT1 activation potencies compared with those of the reference compound resveratrol when tested in enzymatic assays. Thiazole 8, a representative compound of this series, was also subjected to further pharmacological investigations, where it was proven to reduce myocardial damage induced by an in vivo occlusion/reperfusion event, thus confirming its cardioprotective properties. In addition, the cardioprotective effect of compound 8 was significantly higher than that of resveratrol. Molecular modeling studies suggest the binding mode of these derivatives within SIRT1 in the presence of the p53-AMC peptide. These promising results could pave the way to further expand and optimize this chemical class of new and potent SIRT1 activators as potential cardioprotective agents. 相似文献
130.
Lara Tejerina Dr. M. Victoria Martínez‐Díaz Prof. Dr. Mohammad Khaja Nazeeruddin Prof. Tomas Torres 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(13):4369-4373
Phthalocyanines (Pcs) are used as sensitizers in dye‐sensitized solar cells (DSSCs) because of their stability and intense absorption in the red and near‐IR regions. Impressive progress has been made in photovoltaic efficiencies by introduction of bulky peripheral substituents to help suppress macrocycle aggregation. To reach benchmark efficiencies reported for other related dyes, new designs need to be explored. Single carboxy‐ZnPc regioisomers substituted at the non‐peripheral positions by rigid aryl groups have now been studied, which has shed light on the influence of steric hindrance and/or orientation of the substituent around the anchoring group on the photovoltaic response. The regioisomer bearing the aryl group far away from the anchoring group produces a more effective sensitization of the TiO2 films and higher short‐circuit photocurrent density (Jsc). Taking advantage of the good photovoltaic performance in the near‐IR region of this ZnPc, it was combined with another appropriate dye for panchromatic sensitization of the mesoporous photoelectrode and an increase of the overall device efficiency. 相似文献