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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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A comparative study on emergent pollutants photo-assisted degradation using ruthenium modified titanate nanotubes and nanowires as catalysts

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Journal of Environmental Sciences 2020年第6期32卷 38-51页

作者： Beatriz Barrocas M.Conceicao Oliveira Helena I.S.Nogueira Sara Fateixa Olinda C.Monteiro centro de química estrutural Faculdade de CienciasUniversidade de LisboaLisboa 1749-016Portugal centro química estrutural Instituto Superior TécnicoUniversidade de LisboaLisboa 1049-001Portugal Department of Chemistry CICECO-Aveiro Institute of MaterialsUniversity of AveiroAveiro 3810-193Portugal

Several methods have been used to tailor nanomaterials structure and ***,slight changes in the structure outcomes expressive improvements in the optical and photocatalytic properties of semiconductor *** this context,the influence of the metal doping and the morphology on a catalyst performance was studied in this ***,ruthenium doped titanate nanotubes(RuTNT)were synthesised for the first time using an amorphous Ru-containing ***,the photocatalytic performance of this sample was compared to the one obtained for ruthenium titanate nanowires(RuTNW),recently *** samples,RuTNW and RuTNT,were produced using the same Ru-containing precursor but distinct hydrothermal *** powders were structural,morphological and optical characterized by X-ray diffraction and fluorescence,transmission electron microscopy,Raman,X-ray photoelectron and photoluminescence *** variations on the structural and optical properties of the RuTNT and RuTNW nanoparticles,due to ruthenium incorporation were *** potential use as photocatalysts was evaluated on the hydroxyl radical photo-assisted *** samples were catalytic for this reaction,presenting better performances than the pristine counterparts,being RuTNT the best ***,the degradation of two emergent pollutants,caffeine and sulfamethazine,was *** demonstrated to be better photocatalyst than RuTNW for caffeine but identical performances were obtained for *** both catalysts,the degradation mechanism of the pollutants was explored through the identification and quantification of the intermediate compounds produced and several differences were *** indicates the importance of the structural and morphological aspects of a material on its catalytic performance.

关键词： Titanate nanotubes and nanowires Ruthenium doping Ru-Ti replacement Emergent pollutants Photocatalytic degradation

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Compositional engineering of HKUST-1/sulfidized NiMn-LDH on functionalized MWCNTs as remarkable bifunctional electrocatalysts for water splitting

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Carbon Energy 2023年第12期5卷 1-20页

作者： Mengshan Chen Reza Abazari Soheila Sanati Jing Chen Mingyuzhi Sun Cunhong Bai Alexander M.Kirillov Yingtang Zhou Guangzhi Hu Zhejiang Key Laboratory of Petrochemical Environmental Pollution Control National Engineering Research Center for Marine AquacultureMarine Science and Technology CollegeZhejiang Ocean UniversityZhoushanChina Department of Chemistry Faculty of ScienceUniversity of MaraghehMaraghehIran State Key Laboratory of High-Efficiency Utilization of Coal and Green Chemical Engineering College of Chemistry and Chemical EngineeringNingxia UniversityYinchuanChina Departamento de Engenharia química Centro de Química EstruturalInstitue of Molecular SciencesInstituto Superior TécnicoUniversidade de LisboaLisbonPortugal School of Ecology and Environmental Science Institute for Ecological Research and Pollution Control of Plateau LakesYunnan UniversityKunmingChina

Water-splitting reactions such as the hydrogen evolution reaction(HER)and the oxygen evolution reaction(OER)typically require expensive noble metal-based *** has motivated researchers to develop novel,cost-effective electrocatalytic *** this study,a new multicomponent nanocomposite was assembled by combining functionalized multiwalled carbon nanotubes,a Cu-based metal–organic framework(MOF)(HKUST-1 or HK),and a sulfidized NiMn-layered double hydroxide(NiMn-S).The resulting nanocomposite,abbreviated as MW/HK/NiMn-S,features a unique architecture,high porosity,numerous electroactive Cu/Ni/Mn sites,fast charge transfer,excellent structural stability,and *** a current density of 10 mA cm-2,this dual-function electrocatalyst shows remarkable performance,with ultralow overpotential values of 163 mV(OER)or 73 mV(HER),as well as low Tafel slopes(57 and 75 mV dec-1,respectively).Additionally,its high turnover frequency values(4.43 s-1 for OER;3.96 s-1 for HER)are significantly superior to those of standard noble metal-based Pt/C and IrO2 *** synergistic effect of the nanocomposite's different components is responsible for its enhanced electrocatalytic performance.A density functional theory study revealed that the multi-interface and multicomponent heterostructure contribute to increased electrical conductivity and decreased energy barrier,resulting in superior electrocatalytic HER/OER *** study presents a novel vision for designing advanced electrocatalysts with superior performance in water *** composites have been utilized in water-splitting *** study investigates the use of the MW/HK/NiMn-S electrocatalyst for water splitting for the first time to indicate the synergistic effect between carbon-based materials along with layered double hydroxide compounds and porous compounds of *** unique features of each component in this composite can be an interesting topic in the field of water spl

关键词： bifunctional electrocatalyst electroactive sites multicomponent synergic effect water splitting

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Syntheses,Crystal Structures and Luminescent Properties of Lead(Ⅱ) and Cadmium(Ⅱ) Coordination Polymers Constructed from Biphenyl-2,5,3′-tricarboxylate

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Chinese Journal of Structural Chemistry 2014年第6期33卷 888-896页

作者：高竹青李红晋 M.Kirillov Alexander 顾金忠 School of Chemical and Biological Engineering Taiyuan University of Science and Technology centro de química estrutural Complexo I Instituto Superior TécnicoThe University of Lisbon College of Chemistry and Chemical Engineering Lanzhou University

Two coordination polymers, namely [Pb（Hbtc）（phen）]n（1） and {[Cd3（btc）2（H2O）4]·2H2O}n（2, H3btc = biphenyl-2,5,3＇-tricarboxylic acid, phen = 1,10-phenanthroline）, were assembled. Single-crystal X-ray diffraction studies show that compound 1 possesses a zigzag chain 1D coordination network, which is further extended into a 3D supramolecular architecture via O–H···O hydrogen bonds and π-π packing interactions. Compound 2 features a 3D open framework based on a tricadmium（II） subunit, generating a trinodal 4,4,6-connected net with the 4,4,6T24 topology defined by the point symbol of（44·62）3（46·69）2. Thermal stability and luminescent properties of both compounds were studied and discussed.

关键词： coordination polymer crystal structrue luminescent properties

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New approaches for prevention and treatment of Alzheimer's disease:a fascinating challenge

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Neural Regeneration Research 2017年第3期12卷 405-406页

作者： Luca Piemontese Dipartimento Farmacia-Scienze del Farmaco UniversitàdegliStudi di Bari"Aldo Moro"BariItaly centro de química estrutural Instituto Superior Técnico-Universidade Técnica de LisboaLisboaPortugal

The prevention and treatment of neurodegenerative diseases is the new challenge for pharmaceutical industry,but also for public institutions,physicians,patients,and their *** spread of these pathologies is,in fact,a real social problem,especially in the Western Countries where the population age is increasing and chronic diseases are more and more common.

关键词： PPARs New approaches for prevention and treatment of Alzheimer’s disease:a fascinating challenge

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Syntheses, Crystal Structures and Magnetic Properties of Cobalt(Ⅱ) and Manganese(Ⅱ) Coordination Polymers Constructed from 5-(Pyridin-4-yl)Isophthalate Ligands

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Chinese Journal of Structural Chemistry 2014年第4期33卷 626-634页

作者：高竹青李红晋 M.Kirillov Alexander 顾金忠 School of Chemical and Biological Engineering Taiyuan University of Science and Technology centro de química estrutural Complexo I Instituto Superior TécnicoThe University of Lisbon Av. Rovisco Pais1049-001 Lisbon Portugal College of Chemistry and Chemical Engineering Lanzhou University

Two coordination polymers, namely {[Co（L）（H2O）]·H2O}n （1） and [Mn（L）（phen）]n （2, H2L = 5-（pyridin-4-yl）isophthalic acid, phen = 1,10-phenanthroline）, have been hydrothermally synthesized and characterized by elemental analysis, IR, TG, magnetic properties, and single-crystal X-ray diffraction. 1 belongs to the triclinic system, space group Pī with α = 7.2188（7）, b = 10.0835（8）, c = 10.2069（7）？, α = 113.713（7）, β = 99.490（7）, γ = 104.516（8）o, V = 628.24（9）？3, C13H11NCoO6, Mr = 336.16, Z = 2, Dc = 1.777 Mg/m3, μ（MoKα） = 1.395 mm–1, F（000） = 342, S = 1.041, the final R = 0.0381 and wR = 0.0819 for 3744 observed reflections （I 〉 2σ（I）） and R = 0.0448 and wR = 0.0874 for all data. 2 belongs to the monoclinic system, space group P2/c with α = 12.9185（3）, b = 10.4343（2）, c = 31.7650（6）？, β = 101.282（2）o, V = 4199.08（13）？3, C50H30N6Mn2O8, Mr = 952.68, Z = 4, Dc = 1.507 Mg/m3, μ（MoKα） = 5.447 mm–1, F（000） = 1944, S = 1.128, the final R = 0.1003 and wR = 0.1052 for 8247 observed reflections （I 〉 2σ（I）） and R = 0.2595 and wR = 0.2625 for all data. Single-crystal X-ray diffraction studies show that compound 1 features a 2D sheet structure based on a dicobalt（II） subunit, which is further extended into a 3D metal-organic supramolecular framework by O–H… hydrogen bond. Compound 2 also possesses a 2D sheet, which is held together into a 3D supramolecular architecture via C–H… hydrogen bond and π-π stacking interactions. Magnetic studies for compound 2 show antiferromagnetic coupling between the adjacent metal centers, with J = –11.8 cm–1 and g = 2.12 for 2.

关键词： coordination polymer crystal structrue magnetic properties

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Preconcentration of Germanium(IV) on Styrene-Maleic Anhydride Copolymer Modified with Aminobenzoic Acids and Its Spectrophotometric Determination with Bis(2,3,4-trihydroxyphenylazo)benzidine

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American Journal of Analytical Chemistry 2012年第12期3卷 790-799页

作者： Kamran T. Mahmudov Rafiga A. Aliyeva Sahil Z. Hamidov Famil M. Chyragov Samira R. Mardanova Maximilian N. Kopylovich Armando J. L. Pombeiro centro de química estrutural Complexo I Instituto Superior Técnico Technical University of Lisbon Lisbon Portugal Department of Chemistry Baku State University Baku Azerbaijan

The styrene-maleic anhydride copolymer was chemically modi?ed, in the presence of formaldehyde, with 4-amino-2-hydroxybenzoic acid or 4-aminobenzoic acid giving sorbents S1 and S2, respectively. The specific sorption behaviour of S1 and S2 towards germanium(IV) was examined and optimized, the preconcentrated germanium(IV) after desorption being spectrophotometrically quantified with bis(2,3,4-trihydroxyphenylazo)benzidine in the presence of hexamethylenetetramine, phenanthroline and 2,2’-bipyridine. The dynamic sorption capacity and detection limits (3σ, n = 17) of germanium were found to be 152.2 and 127.1 mg·g–1, and 0.9 and 1.1 ng·mL–1, for S1 and S2, accordingly. The application of S1 and S2 was demonstrated for the selective preconcentration/determination of germanium in seawater and water obtained after oil pumping.

关键词： Germanium(IV) Preconcentration Sorption Spectrophotometric Determination

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Non-destructive corrosion study on a magnesium alloy with mechanical properties tailored for biodegradable cardiovascular stent applications

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Journal of Materials Science & Technology 2021年第7期66卷 128-138页

作者： Changhong Cai Marta M.Alves Renbo Song Yongjin Wang Jingyuan Li School of Materials Science and Engineering University of Science and Technology BeijingBeijing100083China centro de qufmica estrutural Instituto Superior TecnicoUniversidade de LisboaAv.Rovisco Pais1049-001LisboaPortugal

AnMg-2Zn-0.6Zr-0.6Nd alloy for biodegradable cardiovascular stent applications was prepared through indirect extrusion. The alloy exhibited a superior combination of tensile yield strength(TYS), ultimate tensile strength(UTS) and elongation(EL) of about 269 MPa, 298 MPa and 25.6 %, respectively. In addition,the non-destructive electrochemical frequency modulation(EFM) technique was used for the first time to investigate the corrosion behavior of Mg alloys combined with electrochemical impedance spectroscopy(EIS) in Dulbecco’s Modified Eagle’s Medium(DMEM) and in Hank’s solution. Compared with the corrosion rate of 0.07 mm/year in Hank’s solution, lower corrosion rate of 0.03 mm/year was achieved in DMEM. The significant differences between the corrosion rate trends were discussed and related with the composition of the corrosion layer formed. Depending on the biomimetic fluids tested, different corrosion products were precipitated on the alloy’s surface: a compact and homogeneous layer of Mg_(x)Ca_(y)(PO_(4))_(z) and Zn(OH)_(2) and organic compounds was formed in DMEM, whereas a partial coverage of Mg_(x)Ca_(y)(PO_(4))_(z) and Zn(OH)_(2) was formed in Hank’s solution.

关键词： Mg-Zn-Zr-Nd alloy Mechanical property Corrosion EIS EFM

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Meta-analysis of CO_(2) conversion,energy efficiency,and other performance data of plasma-catalysis reactors with the open access PIONEER database

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Journal of Energy Chemistry 2023年第11期86卷 318-342,I0007页

作者： Antoine Salden Maik Budde Carolina A.Garcia-Soto Omar Biondo Jairo Barauna Marzia Faedda Beatrice Musig ChloéFromentin Minh Nguyen-quang Harry Philpott Golshid Hasrack Domenico Aceto Yuxiang Cai Federico Azzolina Jury Annemie Bogaerts Patrick Da Costa Richard Engeln María Elena Gálvez Timo Gans Tomas Garcia Vasco Guerra Carlos Henriques Monika Motak Maria Victoria Navarro Vasile I.Parvulescu Gerard Van Rooij Bogdan Samojeden Ana Sobota Paolo Tosi Xin Tu Olivier Guaitella Department of Physics University of Trento38100 PovoItaly Department of Applied Physics and Science Education Eindhoven University of Technology5600 MB EindhovenThe Netherlands Instituto de Plasmas e Fusão Nuclear Instituto Superior TécnicoUniversidade de Lisboa1049-001 LisboaPortugal LPP CNRSÉcole PolytechniqueSorbonne UniversitéUniversitéParis-SaclayIP-Paris 91128 PalaiseauFrance Department of Organic Chemistry Biochemistry and CatalysisUniversity of BucharestBucharestRomania Research Group PLASMANT Department of ChemistryUniversity of AntwerpUniversiteitsplein 1Wilrijk B-2610Belgium DIFFER 5612AJ EindhovenThe Netherlands Instituto de Carboquímica ICB-CSIC Zaragoza 50018Spain Faculty of Energy and Fuels AGH University of KrakowKrakowPoland Institut Jean le Rond d’Alembert CNRS UMR 7190-Sorbonne UniversitéSaint-Cyr l’Ecole 78210France Laboratoire Catalyse et Spectrochimie(LCS) CNRS-ENSICAEN-Universitéde Caen6 boulevard du Maréchal-Juin14000 CaenFrance CQE Centro de Química EstruturalInstituto Superior TécnicoUniversidade de LisboaAv.Rovisco Pais1049-001 LisboaPortugal School of Physical Sciences and National Centre for Plasma Science and Technology Faculty of Science and HealthDublin City UniversityDublinIreland ASML De Run 65015504 DR VeldhovenThe Netherlands Faculty of Science and Engineering Maastricht University6229 GS MaastrichtThe Netherlands CNR Istituto per la Scienza e Tecnologia dei Plasmi(ISTP)Italy Department of Electrical Engineering and Electronics University of LiverpoolLiverpool L693GJUK

This paper brings the comparison of performances of CO_(2)conversion by plasma and plasma-assisted catalysis based on the data collected from literature in this field,organised in an open access online *** tool is open to all users to carry out their own analyses,but also to contributors who wish to add their data to the database in order to improve the relevance of the comparisons made,and ultimately to improve the efficiency of CO_(2)conversion by *** creation of this database and database user interface is motivated by the fact that plasma-catalysis is a fast-growing field for all CO_(2)conversion processes,be it methanation,dry reforming of methane,methanolisation,or *** a result of this rapid increase,there is a need for a set of standard procedures to rigorously compare performances of different ***,this is currently not possible because the fundamental mechanisms of plasma-catalysis are still too poorly understood to define these standard *** however,the accumulated data within the CO_(2)plasma-catalysis community has become large enough to warrant so-called“big data”studies more familiar in the fields of medicine and the social *** enable comparisons between multiple data sets and make future research more effective,this work proposes the first database on CO_(2)conversion performances by plasma-catalysis open to the whole *** database has been initiated in the framework of a H_(2)0_(2)0 European project and is called the“PIONEER Data Base”.The database gathers a large amount of CO_(2)conversion performance data such as conversion rate,energy efficiency,and selectivity for numerous plasma sources coupled with or without a *** data set is associated with metadata describing the gas mixture,the plasma source,the nature of the catalyst,and the form of coupling with the *** the database itself,a data extraction tool with direct visualisation features or advance

关键词： Open-access database on plasma-catalysis experiment CO_(2) conversion Plasma-catalysis Carbon capture and utilisation(CCU) Energy efficiency Specific energy input Dielectric barrier discharge Packed bed reactor Methanation Dry reforming of methane

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T-MOSAiC——A new circumpolar collaboration

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Advances in Polar Science 2019年第4期30卷 357-358页

作者： Diogo FOLHAS Joao CANARIO Warwick F.VINCENT centro quimica estrutural Instituto Superior TécnicoUniversidade de LisboaLisboaPortugal centro de Estudos Geograficos IGOTUniversidade de LisboaLisboaPortugal Centre d´etudes nordiques&Departement de Biologie Universite LavalQuebec CityQCCanada

Atmospheric temperatures over northern regions of the world are rising at twice the global average,and one of the most conspicuous effects is the rapid and ongoing decline in summer sea ice in the Arctic *** improve understanding about the causes and consequences of this decline,the project‘Multidisciplinary drifting Observatory for the Study of Arctic Climate’(https://***/)commenced in September 2019,under the auspices of the International Arctic Science Committee(IASC).This project is an ambitious year-round set of observations of multiple aspects of the Arctic Ocean,sea ice and atmosphere,involving five icebreakers(notably the German vessel Polarstern that was frozen into the Arctic pack ice),and 600 science personnel from more than 20 nations.

关键词： T-MOSAiC Arctic cryosphere ecosystems communities sea ice

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