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您的检索式：作者名="P.Carvalho"
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| 1 | Effects of the microcystin profile of a cyanobacterial bloom on growth and toxin accumulation in common carp Cyprinus carpio larvae显示文摘 | I.El Ghazali S.Saqrane A. P.Carvalho Y.Ouahid F. F.Del Campo V.Vasconcelos B.Oudra | 2010 | Journal of Fish Biology2010，，6： | 1 |
| 2 | Degradation of duloxetine: Identification of transformation products by UHPLC-ESI(+)-HRMS/MS,in silico toxicity and wastewater analysis显示文摘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. | Rodrigo A.Osawa Ana P.Carvalho Olinda C.Monteiro M.Conceicao Oliveira M.Helena Florêncio | 2019 | Journal of Environmental Sciences2019，31，8： | 1 |
| 3 | Sticky-MARTINI as a reactive coarse-grained model for molecular dynamics simulations of silica polymerization显示文摘We report a molecular modeling paradigm to describe silica polymerization reactions in aqueous solutions at conditions that are representative of realistic experimental processes like biosilicification or porous silica synthesis–i.e.at close to ambient temperatures and over a wide range of pH.The key point is to describe the Si-O-Si chemical bond formation and breakage processes through a continuous potential with a balance between attractive and repulsive interactions between suitably placed virtual sites and sticky particles.The simplicity of the model,its applicability in standard parallelized molecular dynamics codes,and its compatibility with the widely used MARTINI coarse-grained force-field allows for the study of systems containing millions of atoms over microsecond time scales.The model is calibrated to match experimental results for the temporal evolution of silica polymerization in aqueous solution close to the isoelectric point,and can describe silica polymerization and self-assembly processes during encapsulation of a surfactant micelle. | AndréP.Carvalho Sérgio M.Santos Germán Pérez-Sánchez JoséD.Gouveia JoséR.B.Gomes Miguel Jorge | 2022 | npj Computational Materials2022，，1： | 0 |
| 4 | 机构间海洋污染计划 | FERNANDO P.CARVALHO | 1998 | 国际原子能机构通报1998，，3： | 0 |
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