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91.
Fernando P. Carvalho João M. Oliveira M. Malta M. Eugénia Lemos 《Journal of Radioanalytical and Nuclear Chemistry》2014,299(1):119-125
During the past century extensive uranium mining took place in Portugal for radium and uranium production. One such uranium mine was the Boco Mine, in operation during the 1960s and 70s. Mining waste and open pits were left uncovered since mine closure. During the nineties a quarry for sand extraction was operated in the same site and water from a local stream was extensively used in sand sieving. Downstream the mine area, agriculture soil is used for cattle grazing. Water from the stream, water wells, soil, pasture and sheep meat were now analyzed for radionuclides of uranium natural series. The U-series radionuclide 226Ra was generally the highest in concentrations especially in soil, pasture, and in internal organs of sheep. 226Ra concentrations were 1,093 ± 96 Bq/kg (dry weight, dw) in soil, 43 ± 3 Bq/kg (dw) in pasture, and 193 ± 84 mBq/kg (wet weight, ww) in muscle tissue of sheep. Other sheep internal organs displayed much higher 226Ra concentrations, such as the brain and kidneys with 1,850 ± 613 mBq/kg (ww) and 6,043 ± 6,023 mBq/kg (ww), respectively. Results of analyses of tissue samples from sheep grown in a comparison area were 2 to 16 times lower, depending on the organ. Absorbed radiation doses for internal organs were computed and may exceed 5.2 mGy/y in the case of kidneys, near three times higher than in animals from the reference area, but below the threshold for biological effects. Radionuclide transfer in the terrestrial food chain and radiation exposure of the human population is discussed. 相似文献
92.
Jeferson Rodrigo Souza Pina Joo Victor Silva-Silva Josiwander Miranda Carvalho Heriberto Rodrigues Bitencourt Luciano Almeida Watanabe Juan Matheus Pereira Fernandes Guilherme Eduardo de Souza Anna Caroline Campos Aguiar Rafael Victorio Carvalho Guido Fernando Almeida-Souza Ktia da Silva Calabrese Patrícia Santana Barbosa Marinho Andrey Moacir do Rosario Marinho 《Molecules (Basel, Switzerland)》2021,26(11)
The natural compound ravenelin was isolated from the biomass extracts of Exserohilum rostratum fungus, and its antimicrobial, antiplasmodial, and trypanocidal activities were evaluated. Ravenelin was isolated by column chromatography and HPLC and identified by NMR and MS. The susceptibility of Gram-positive and Gram-negative bacteria strains to ravenelin was determined by microbroth dilution assay. Cytotoxicity was evaluated in hepatocarcinoma cells (HepG2) and BALB/c peritoneal macrophages by using MTT. SYBR Green I-based assay was used in the asexual stages of Plasmodium falciparum. Trypanocidal activity was tested against the epimastigote and intracellular amastigote forms of Trypanosoma cruzi. Ravenelin was active against Gram-positive bacteria strains, with emphasis on Bacillus subtilis (MIC value of 7.5 µM). Ravenelin’s antiparasitic activities were assessed against both the epimastigote (IC50 value of 5 ± 1 µM) and the intracellular amastigote forms of T. cruzi (IC50 value of 9 ± 2 µM), as well as against P. falciparum (IC50 value of 3.4 ± 0.4 µM). Ravenelin showed low cytotoxic effects on both HepG2 (CC50 > 50 µM) and peritoneal macrophage (CC50 = 185 ± 1 µM) cells with attractive selectivity for the parasites (SI values > 15). These findings indicate that ravenelin is a natural compound with both antibacterial and antiparasitic activities, and considerable selectivity indexes. Therefore, ravenelin is an attractive candidate for hit-to-lead development. 相似文献
93.
Jonatas de Oliveira S. Silva Prof. Mércia V. S. Sant'Anna Dr. Ava Gevaerd MSc. Jéssica B. S. Lima MSc. Michael D. S. Monteiro Dr. Sanny W. M. M. Carvalho Dr. Eliana Midori Sussuchi 《Electroanalysis》2021,33(10):2152-2160
This study introduces modified carbon paste electrodes with carbon nitride nanosheets (CNNS) and outlines their application for the determination of hydroxychloroquine sulfate (HCQ) in tablets and synthetic urine samples. CNNS were synthesized by hydrothermal route (200 °C, 10 h) using melamine and citric acid as their precursors. The carbon nitride nanosheets-based electrode (CNNS/E) presented a linear dynamic range for HCQ (LDR), ranging from 10.0 nmol l−1 to 6.92 μmol l−1, and detection (LOD) and quantification limits (LOQ) of 0.16 nmol l−1 and 0.52 nmol l−1, respectively. LOD and LOQ were calculated by the equations: LOD=3(Sd/b), and LOQ=10(Sd/b). The modified sensor presented excellent relative standard deviations for parameters such as repeatability (2.39 % and 1.87 %) and reproducibility (3.22 % and 2.32 %) in HCQ oxidation peaks (1 and 2). The CNNS/E has not shown significant variations in its anodic signal intensity in the presence of some organic and inorganic substances. It is worth bearing in mind that CNNS/E can be easily manufactured and the sensor has the lowest HCQ detection limits reported so far. The proposed sensor was successfully applied for HCQ determination in tablets and synthetic urine, showing good recovery values and an error of 0.60 % about comparative method in tablet samples, assuring the quality of the method. 相似文献
94.
Giovanny Carvalho dos Santos Lucas Michelão Martins Bruna Andressa Bregadiolli Vitor Fernandes Moreno Luiz Carlos da Silva-Filho Bruno Henrique Sacoman Torquato da Silva 《Journal of heterocyclic chemistry》2021,58(12):2226-2260
A virus outbreak challenges the economic, medical, and public health infrastructure worldwide. More than one virus capable of triggering diseases have been identified per year since 1972, which requires the development of new ways of treatment and prevention, however, such processes are not rapid and easy. With the pandemic scenario experienced since early 2020, several drugs with well-known purposes have gained prominence, due to speculation of their use in the treatment against the new coronavirus. Among the main drugs studied, the vast majority contain a heterocyclic structure. In this review, we presented the traditional and efficient synthesis of 15 drugs that have been studied for the COVID-19 treatment, containing in their structure heterocycles like indole, quinoline, pyrimidone, tetrahydrofuran, pyrrolidine, triazole, pyridazine, pyrazole, pyrrolopyrimidine, azetidine, pyrrolotriazine, pyrazine, tetrahydropyran, benzofuran, spiroketal, and thiazole. Furthermore, we have shown the original applications, as well as their structure–activity relationship and what is their situation as a drug candidate against COVID-19. Thus, the objective was to consolidate the main synthetic and pharmacological aspects involving clinically developed heterocycles that at some point were presented as promising against SARS-CoV-2. 相似文献
95.
Homogeneous and unimolecular gas‐phase thermal decomposition kinetics of methyl benzoylformate: experimental and theoretical study
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Yeljair Monascal Alexis Maldonado José R. Mora Tania Córdova Gabriel Chuchani 《Journal of Physical Organic Chemistry》2015,28(1):40-46
The kinetics of the gas‐phase thermal decomposition of the α‐ketoester methyl benzoylformate was carried out in a static system with reaction vessel deactivated with allyl bromide, and in the presence of the free radical inhibitor propene. The rate coefficients were determined over the temperature range of 440–481 °C and pressures from 32 to 80 Torr. The reaction was found to be homogenous, unimolecular and obey a first‐order rate law. The products are methyl benzoate and CO. The temperature dependence of the rate coefficient gives the following Arrhenius parameters: log10 k (s?1) = 13.56 ± 0.31 and Ea (kJ mol?1) = 232.6 ± 4.4. Theoretical calculations of the kinetic and thermodynamic parameters are in good agreement with the experimental values using PBE1PBE/6‐311++g(d,p). A theoretical Arrhenius plot was constructed at this level of theory, and the good agreement with the experimental Arrhenius plot suggests that this model of transition state may describe reasonably the elimination process. These results suggest a concerted non‐synchronous semi‐polar three‐membered cyclic transition state type of mechanism. The most advanced coordinate is the bond breaking Cδ+‐‐‐δ‐OCH3 with an evolution of 66.7%, implying this as the limiting factor of the elimination process. Copyright © 2014 John Wiley & Sons, Ltd. 相似文献
96.
A Bis(pyridine N‐oxide) Analogue of DOTA: Relaxometric Properties of the GdIII Complex and Efficient Sensitization of Visible and NIR‐Emitting Lanthanide(III) Cations Including PrIII and HoIII
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Henrique F. Carvalho Dr. João M. C. Teixeira Carlos T. B. Paula Prof. Petr Hermann Dr. Carlos Platas‐Iglesias Prof. Stephane Petoud Prof. Éva Tóth Prof. Carlos F. G. C. Geraldes 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(45):14834-14845
We report the synthesis of a cyclen‐based ligand (4,10‐bis[(1‐oxidopyridin‐2‐yl)methyl]‐1,4,7,10‐tetraazacyclododecane‐1,7‐diacetic acid= L1 ) containing two acetate and two 2‐methylpyridine N‐oxide arms anchored on the nitrogen atoms of the cyclen platform, which has been designed for stable complexation of lanthanide(III) ions in aqueous solution. Relaxometric studies suggest that the thermodynamic stability and kinetic inertness of the GdIII complex may be sufficient for biological applications. A detailed structural study of the complexes by 1H NMR spectroscopy and DFT calculations indicates that they adopt an anti‐Δ(λλλλ) conformation in aqueous solution, that is, an anti‐square antiprismatic (anti‐SAP) isomeric form, as demonstrated by analysis of the 1H NMR paramagnetic shifts induced by YbIII. The water‐exchange rate of the GdIII complex is ${k{{298\hfill \atop {\rm ex}\hfill}}}$ =6.7×106 s?1, about a quarter of that for the mono‐oxidopyridine analogue, but still about 50 % higher than the ${k{{298\hfill \atop {\rm ex}\hfill}}}$ of GdDOTA (DOTA=1,4,7,10‐tetraazacyclododecane‐1,4,7,10‐tetraacetic acid). The 2‐methylpyridine N‐oxide chromophores can be used to sensitize a wide range of LnIII ions emitting in both the visible (EuIII and TbIII) and NIR (PrIII, NdIII, HoIII, YbIII) spectral regions. The emission quantum yield determined for the YbIII complex (${Q{{{\rm L}\hfill \atop {\rm Yb}\hfill}}}$ =7.3(1)×10?3) is among the highest ever reported for complexes of this metal ion in aqueous solution. The sensitization ability of the ligand, together with the spectroscopic and relaxometric properties of its complexes, constitute a useful step forward on the way to efficient dual probes for optical imaging (OI) and MRI. 相似文献
97.
Robert W. Hicklin Tania L. López Silva Prof. Paul J. Hergenrother 《Angewandte Chemie (International ed. in English)》2014,53(37):9880-9883
Fenestranes are an intriguing class of highly strained molecules possessing a quaternary carbon with bonds that deviate from the canonical tetrahedral geometry. Herein we report the discovery that the natural product pleuromutilin can be used as a structurally complex starting material for the synthesis of a series of bridged cis,cis,cis,cis‐[4.5.5.5]‐ and cis,cis,cis,cis‐[4.5.7.5]oxafenestranes through a carbocation rearrangement cascade. X‐ray crystallographic analysis of several cis,cis,cis,cis‐[4.5.5.5]oxafenestranes shows a significant planarization of the central tetracoordinate carbon atom and demonstrates the influence of bridgehead substituents and bridging rings on planarity. 相似文献
98.
Agus R. Poerwoprajitno Dr. Lucy Gloag Dr. John Watt Steffen Cychy Dr. Soshan Cheong Dr. Priyank V. Kumar Dr. Tania M. Benedetti Chen Deng Dr. Kuang-Hsu Wu Dr. Christopher E. Marjo Dr. Dale L. Huber Dr. Martin Muhler Prof. Dr. J. Justin Gooding Prof. Dr. Wolfgang Schuhmann Prof. Dr. Da-Wei Wang Prof. Dr. Richard D. Tilley 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(36):15615-15620
99.
Rosane Bassi Soares Denis Honorato Costa Walter Miyakawa Maria Goretti Temoteo Delgado Aguinaldo Silva Garcez Tania Mateus Yoshimura Martha Simões Ribeiro Silvia Cristina Nunez 《Photochemistry and photobiology》2020,96(3):618-624
Ventilator-associated pneumonia (VAP) is an infection that arises after endotracheal intubation affecting patients under intensive care. The presence of the endotracheal tube (ETT) is a risk factor since it is colonized by multispecies biofilm. Antimicrobial photodynamic therapy (aPDT) could be a strategy to decontaminate ETTs. We verify if methylene blue (MB) associated with external illumination of the ETT could be an alternative to destroy biofilm. We performed an in vitro and ex vivo study. In vitro study was performed with P. aeruginosa biofilm grew over ETT for 7 days. After treatment, the surviving cells were cultured for 3 days and the biofilm was analyzed by crystal violet absorbance. Ex vivo study employed ETT obtained from extubated patients. aPDT was performed with MB (100 µm ) and red LED (λ = 640±20 nm). We quantified the biofilm thickness and used scanning electron microscopy and fluorescence technique to verify morphological and functional changes after aPDT. Our results showed that bacteria remain susceptible to aPDT after sequential treatments. We also attested that aPDT can reduce biofilm thickness, disrupt biofilm attachment from ETT surface and kill microbial cells. These data suggest that aPDT should be investigated to decrease VAP incidence via ETT decontamination. 相似文献
100.
Yuri A. de Oliveira Só Mônica de Abreu Silva Fernando M. Carvalho Alessandra S. Kiametis Ricardo Gargano 《International journal of quantum chemistry》2020,120(11):e26194
Oxidative stress is an imbalance between the production of free radicals and the antioxidant defenses of the organism. Heart diseases, anemia, inflammation, and neurodegenerative disorders have been associated with this biological condition. Trolox is a notable antioxidant drug similar to vitamin E, and it is used to decrease the oxidative stress or repair the damage caused by it. In this work, the virtual screening technique is applied to identify compounds with antioxidant activities similar to Trolox. The antioxidant activity of these compounds was assessments by the mechanisms of hydrogen atom transfer and single electron transfer. Properties such as bond dissociation enthalpy, adiabatic ionization potential, Gibbs free reaction energy, spin density, highest occupied molecular orbital (HOMO), and GAP (HOMO-LUMO) energies, obtained from the DFT approach, point out to the predominance of the HAT mechanism for the antioxidant action of these compounds. The obtained results contribute to a better understanding of the chemical and physical properties responsible for antioxidant activity and the design of new antioxidant agents. 相似文献