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Degradation of duloxetine: Identification of transformation products by UHPLC-ESI(+)-HRmS/mS,in silico toxicity and wastewater analysis

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Journal of Environmental Sciences 2019年第8期31卷 113-123页

作者： Rodrigo A.Osawa ana P.Carvalho Olinda C.monteiro m.Conceicao Oliveira m.Helena Florêncio Centro de Química e bioquímica Faculdade de Ciências Universidade de Lisboa Laboratório de FTICR e Espectrometria de massa Estrutural Faculdade de Ciências Universidade de Lisboa Centro de Química Estrutural Instituto Superior Técnico Universidade de Lisboa

Duloxetine(DUL), an antidepressant drug, has been detected in surface water and wastewater effluents, however, there is little information on the formation of its transformation products(TPs). In this work, hydrolysis, photodegradation(UV irradiation) and chlorination experiments were performed on spiked distillated water, under controlled experimental conditions to simulate abiotic processes that can occur in the environment and wastewater treatment plants(WWTPs). Eleven TPs, nine from reaction with UV light and two from chlorine contact, were formed and detected by ultra-high performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry, and nine of them had their chemical structures elucidated upon analyses of their fragmentation patterns in mS/mS spectra. The formation and degradation of the TPs were observed. The parent compound was completely degraded after30 min in photodegradation and after 24 hr in chlorination. Almost all TPs were completely degraded in the experiments. The ecotoxicity and mutagenicity of the TPs were predicted based on several in silico models and it was found that a few of these products presented more ecotoxicity than DUL itself and six TPs showed positive mutagenicity. Finally, wastewater samples were analyzed and DUL and one TP, possibly formed by chlorination process, were detected in the effluent, which showed that WWTP not only did not remove DUL, but also formed a TP.

关键词： High resolution mass spectrometry Duloxetine Degradation processes Transformation products Wastewater analysis In silico toxicity

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An easy,accurate and efficient procedure to create forest fire risk maps using the SEXTANTE plugin modeler

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Journal of Forestry Research 2016年第6期27卷 1361-1372页

作者： Lia Duarte ana Claudia Teododo Earth Sciences Institute(ICT) University of PortoRua Campo Alegre4169-007 PortoPortugal Department of Geosciences Environment and Land PlanningFaculty of SciencesUniversity of PortoRua Campo Alegre4169-007 PortoPortugal

To prevent, detect, and protect against forest fires, forest personnel need to define rules for determining forest fire risk. In Portugal, all municipalities must annually produce forest fire risk （FFR） maps. To produce more reliable FFR maps more easily, we developed an open source model using the modeler plugin of SEXTANTE in the program QGIS version 2.0 Dufour. The model provides all the maps involved in the FFR model （susceptibility map, hazard map, vulnerability map, economic value map, and potential loss map） and was produced according to Portuguese Forest Authority＇s （AFN, Autoridade Florestal Nacional） rules for determining the FFR. This model was tested for the Portuguese municipality Santa maria da Feira, where 40 % of the total municipality area falls in the category ＂very high＂ or ＂high＂ fire risk. The ＂very high＂ fire risk area is mainly classified as broad-leaved forest and has the steepest slopes （〉15 %）. The distance of burned areas to roads was also analyzed; the proportion of burned areas increased with increasing distance to the main roads. In addition, 92.6 % of the ＂high＂ and ＂very high＂ risk zones were located in areas with lower elevation. These results confirmed that forest fire is strongly influenced not only by environmental factors but also by anthropogenic factors. The procedure implemented here was compared with our open source application already available in QGIS and also to the same procedure implemented in GIS pro- prietary software. Although the results were obviously the same, the model developed here presents several advan- tages over the other two approaches. besides being faster, it is easy to change the model parameters according to user needs （i.e., to the rules of different countries）, and can be modified and adapted to other variables and other areas to create risk maps for different natural phenomena （e.g., floods, earthquakes, landslides）. The model is easy to use and to create risk and hazard maps rapidly in a free, open

关键词： Forest fire risk (FFR) maps SEXTANTE modeler. QGIS Open source

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Neuroinflammatory modulators of oligodendrogenesis

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Neuroimmunology and Neuroinflammation 2015年第1期2卷 263-273页

作者： ana Armada-moreira Filipa F.Ribeiro ana m.Sebastião Sara Xapelli Instituto de Farmacologia e Neurociências Faculdade de Medicina da Universidade de Lisboa1649-028 LisboaPortugal Instituto de medicina molecular Faculdade de Medicina da Universidade de Lisboa1649-028 LisboaPortugal

Oligodendrocytes are key neural cells that are responsible for producing myelin sheaths that wrap around neuronal axons in the central nervous *** is essential to insulate neurons and maintain a fast and saltatory propagation of action potentials along the ***,oligodendrocytes are very susceptible to damage,and thus demyelination may arise from a brain lesion or a neurodegenerative ***,demyelination produces a loss of axonal insulation leading to sensory or motor neuron *** adulthood,there are two main sources of oligodendrocytes:parenchymal oligodendrocyte precursor cells(OPCs)and subventricular zone derived *** this review,we will discuss oligodendrogenesis derived from these two sources,and also highlight their main extrinsic and intrinsic *** addition,the neuroinflammatory mediators of oligodendrogenesis will also be assessed.

关键词： Demyelination inflammation neural stem cells oligodendrocyte remyelination

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Using the polymerase chain reaction coupled with denaturing gradient gel electrophoresis to investigate the association between bacterial translocation and systemic inflammatory response syndrome in predicted acute severe pancreatitis

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World Journal of Gastroenterology 2005年第45期11卷 7142-7147页

作者： Callum b Pearce Vitaly Zinkevich Iwona beech Viera Funjika ana Garcia Ruiz Afraa Aladawi Hamish D Duncan Queen Alexandra Hospital microbiology Research Laboratory

AIm: To investigate the use of PCR and DGGE to investigate the association between bacterial translocation and systemic inflammatory response syndrome in predicted severe ***: Patients with biochemical and clinical evidence of acute pancreatitis and an APACHE Ⅱ score ≥8 were enrolled. PCR and DGGE were employed to detect bacterial translocation in blood samples collected on d1,3, and 8 after the admission. Standard microbial blood cultures were taken when there was clinical evidence of sepsis or when felt to be clinically indicated by the supervising ***: Six patients were included. Of all the patients investigated, only one developed septic complications;the others had uneventful illness. bacteria were detected using PCR in 4 of the 17 collected blood samples. The patient with sepsis was PCR-positive in two samples (taken on d 1 and 3), despite three negative blood cultures. Using DGGE and specific primers, the bacteria in all blood specimens which tested positive for the presence of bacterial DNA were identified as E ***: Our study confirmed thatunlike traditional microbiological techniques, PCR can detect the presence of bacteria in the blood of patients with severe AP. Therefore, this latter method in conjunction with DGGE is potentially an extremely useful tool in predicting septic morbidity and evaluating patients with the disease. Further research using increased numbers of patients, in particular those patients with necrosis and sepsis, is required to assess the reliability of PCR and DGGE in the rapid diagnosis of infection in AP.

关键词： Polymerase chain reaction Acutepancreatitis bacterial translocation

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Genotoxicity evaluation of two derived products from Allium extracts:s-propylmercaptocysteine and s-propyl mercaptoglutathione

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Food bioscience 2023年第3期53卷 1603-1611页

作者： Antonio Cascajosa-Lir Concepción medrano-Padial ana Isabel Prieto Alberto baños José m.de la Torre Angeles Jos ana m.Cameán Área de Toxicología Facultad de FarmaciaUniversidad de SevillaProfesor García González n 241012SevilleSpain DmC Research Center Camino de Jayena 8218620AlhendínSpain

Propyl-propane-thiosulfonate(PTSO)is one of the main organosulfur compounds present in Allium essential oils with a widely documented biological *** this reason,it could be used as a food and feed additive in the agri-food industry.A genotoxicity evaluation of substances and their metabolites present in food is necessary to guarantee the consumer’s health following the recommendations of the European Food Safety Authority(EFSA).To evaluate the toxicological profile of derivatives of PTSO,the cytotoxicity,an Ames test,a micronucleus test and the comet assay were *** showed that non-cytotoxic effects were observed in Caco-2 exposed to s-propyl mercaptocysteine(CSSP)and s-propyl mercaptoglutathione(GSSP)(0-450μm).The mutagenicity index remained in the range of 0.6-1.4 for both compounds,showing no mutagenic effects for the concentrations of 5000-312.5μg GSSP/plate and 250-15.63μg CSSP/***,the%binucleated cells with micronuclei were 1.3-2.2 and 1.6-2.7 for GSSP and GSSP,*** comet assays there was no DNA-genotoxic or oxidative damage in a concentration range of 112.5-450μ***,we can conclude that these compounds are not genotoxic at the conditions *** results support that the presence of CSSP and GSSP in the food/feed is not of concern,although further studies are needed to complete their safety profile.

关键词： Cytotoxicity Genotoxicity mutagenicity Organosulfur compounds Allium Propyl-propane-thiosulfonate

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Synthesis, Characterization and Thermophysical Properties of Three Neoteric Solvents-Ionic Liquids based on Choline Chloride

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Chemical Research in Chinese Universities 2014年第1期30卷 119-124页

作者： POPESCU ana-maria CONSTANTIN Virgil Laboratory of molten Salts llie Murgulescu Institute of Physical Chemistry of the Romanian Academy Bucharest 006021 Romania

The authors prepared,characterized and preliminary studied the properties of some neoteric solvents-ionic liquids based on choline chloride,i.e.,three ionic liquids based on the eutectics of choline chloride（2-hydroxyN,N,N-trimethylethanaminium chloride） with,respectively,urea,malonic acid and citric *** obtained mixtures were clear and colorless ionic liquids at room *** thermophysical properties,namely,density,viscosity,and electrical conductivity of these mixtures were investigated as a function of temperature within a range of 298-353 *** for the temperature dependence of the measured properties were generated and discussed in terms of Arrhenius *** the electrochemical windows of the eutectic liquids were determined.

关键词： Neoteric solvent Ionic liquid Choline chloride malonic acid Citric acid Density Viscosity Conductivity

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NEW HYbRID CONJUGATE GRADIENT mETHOD AS A CONVEX COmbINATION OF LS AND FR mETHODS

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Acta mathematica Scientia 2019年第1期39卷 214-228页

作者： Sne?ana S.DJORDJEVI? Faculty of Technology University of Nis

In this paper, we present a new hybrid conjugate gradient algorithm for unconstrained optimization. This method is a convex combination of Liu-Storey conjugate gradient method and Fletcher-Reeves conjugate gradient method. We also prove that the search direction of any hybrid conjugate gradient method, which is a convex combination of two conjugate gradient methods, satisfies the famous D-L conjugacy condition and in the same time accords with the Newton direction with the suitable condition. Furthermore, this property doesn't depend on any line search. Next, we also prove that, moduling the value of the parameter t,the Newton direction condition is equivalent to Dai-Liao conjugacy *** strong Wolfe line search conditions are *** global convergence of this new method is *** comparisons show that the present hybrid conjugate gradient algorithm is the efficient one.

关键词： hybrid conjugate gradient method convex combination Dai-Liao conjugacy condition Newton direction

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On the Semiprimitivity and Semiprimality Problems for Partial Smash Products

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Algebra Colloquium 2018年第1期25卷 1-30页

作者： Rafael Cavalheiro Alveri Sant'ana Instituto de matemdtica Estatfstica e Fisica Universidade Federal do Rio Grande Brazil Instituto de matemdtica Universidade Federal do Rio Grande do Sul Brazil

In this paper we discuss about the semiprimitivity and the semiprimality of partial smash products. Let H be a semisimple Hopf algebra over a field k and let A be a left partial H-module algebra. We study the H-prime and the H-Jacobson radicals of A and their relations with the prime and the Jacobson radicals of A#H, respectively. In particular, we prove that if A is H-semiprimitive, then A^fH is semiprimitive provided that all irreducible representations of A are finite-dimensional, or A is an affine PI-algebra over k and k is a perfect field, or A is locally finite. moreover, we prove that A=#=H is semiprime provided that A is an H-semiprime PI-algebra, generalizing to the setting of partial actions the known results for global actions of Hopf algebras.

关键词： partial Hopf action partial smash product semiprimitivity semiprimality H-radical partial (A H)-module

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Relaxation of Certain Integral Functionals Depending on Strain and Chemical Composition

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Chinese Annals of mathematics,Series b 2013年第4期34卷 491-514页

作者： ana margarida RIbEIRO Elvira ZAPPALE Departamento de matema'tica and CmA Faculdade de Ci encias e Tecnologia - Universidade Nova de Lisboa D. I. In. Universita’ degli Studi di Salerno

The authors provide a relaxation result in bV×Lq, 1≤q<+∞ as the first step towards the analysis of thermochemical equilibria.

The authors provide a relaxation result in bV×Lq, 1≤qanalysis of thermochemical equilibria.

关键词： Relaxation Functions of bounded variation Quasiconvexity

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Exocytosis,endocytosis and recycling of secretory vesicles in neuroendocrine cells,and its regulation by cortical actin

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bIOCELL 2022年第8期46卷 1867-1873页

作者： ana m.CÁRDENAS I.GALLO FERNANDO D.mARENGO Centro Interdisciplinario de Neurociencia de Valparaíso Facultad de CienciasUniversidad de ValparaísoValparaíso2360102Chile Instituto de Fisiología Biología Molecular y NeurocienciasCONICET.Departamento de Fisiología y Biología Molecular y CelularFacultad de Ciencias Exactas y Naturales Universidad de Buenos AiresBuenos Aires1428Argentina

The cortical actin network is a mesh of filaments distributed beneath the plasmalemma that dynamically reacts in response to *** dynamic network of cortical filaments,together with motor myosin partners,adjusts the plasmalemma tension,organizes membrane protein microdomains,remodels the cell surface and drives vesicle motion in order to fine-tune exocytosis,endocytosis and recycling of secretory *** this review,we discuss how these mechanisms work in secretory cells.

关键词： Cortical actin Neuroendocrine cell Chromaffin cell Exocytosis Endocytosis

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