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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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COVID-19 vaccination produces exercise-responsive SARS-CoV-2 specific T-cells regardless of infection history

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Journal of Sport and Health Science 2024年第1期13卷 99-107页

作者： Kyle A.Smith Tiffany m.Zúñiga Forrest L.Baker helena Batatinha Charles R.Pedlar Shane C.Burgess michael P.Gustafson Emmanuel Katsanis Richard J.Simpson School of Nutritional Sciences and Wellness The University of ArizonaTucsonAZ 85721USA Department of Pediatrics The University of ArizonaTucsonAZ 85724USA Faculty of Sport Allied Health and Performance ScienceSt.Mary's UniversityTwickenham TW14SXUK Institute of Sport Exercise and Health University College LondonLondon WC1E 7HUUK Department of Animal and Comparative Biomedical Sciences The University of ArizonaTucsonAZ 85721USA The University of Arizona Cancer Center The University of ArizonaTucsonAZ 85719USA Laboratory medicine and Pathology Mayo Clinic ArizonaPhoenixAZ 85054USA Department of Immunobiology The University of ArizonaTucsonAZ 85724USA Department of medicine The University of ArizonaTucsonAZ 85724USA Department of Pathology The University of ArizonaTucsonAZ 85724USA

Background:The mobilization and redistribution of severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)specific T-cells and neutralizing antibodies(nAbs)during exercise is purported to increase immune surveillance and protect against severe coronavirus disease 2019(COVID-19).We sought to determine if COVID-19 vaccination would elicit exercise-responsive SARS-CoV-2 T-cells and transiently alter nAb ***:Eighteen healthy participants completed a 20-min bout of graded cycling exercise before and/or after receiving a COVID-19 *** major leukocyte subtypes were enumerated before,during,and after exercise by flow cytometry,and immune responses to SARS-CoV-2 were determined using whole blood peptide stimulation assays,T-cell receptor(TCR)-βsequencing,and SARS-CoV-2 nAb ***:COVID-19 vaccination had no effect on the mobilization or egress of major leukocyte subsets in response to intensity-controlled graded ***,non-infected participants had a significantly reduced mobilization of CD4+and CD8+naive T-cells,as well as CD4+central memory T-cells,after vaccination(synthetic immunity group);this was not seen after vaccination in those with prior SARS-CoV-2 infection(hybrid immunity group).Acute exercise after vaccination robustly mobilized SARS-CoV-2 specific T-cells to blood in an intensity-dependent *** groups mobilized T-cells that reacted to spike protein;however,only the hybrid immunity group mobilized T-cells that reacted to membrane and nucleocapsid *** increased significantly during exercise only in the hybrid immunity ***:These data indicate that acute exercise mobilizes SARS-CoV-2 specific T-cells that recognize spike protein and increases the redistribution of nAbs in individuals with hybrid immunity.

关键词： Anti-viral COVID-19 Exercise immunology SARS-CoV-2 T-Cells Vaccine

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Depression Intensity Classification from Tweets Using Fast Text Based Weighted Soft Voting Ensemble

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Computers, materials & Continua 2024年第2期78卷 2047-2066页

作者： muhammad Rizwan muhammad Faheem mushtaq maryam Rafiq Arif mehmood Isabel de la Torre Diez monica Gracia Villar helena Garay Imran Ashraf Department of Artificial Intelligence The Islamia University of BahawalpurBahawalnagar63100Pakistan Department of Information Technology Khwaja Fareed University of Engineering and ITRYKhan64200Pakistan Department of Computer Science&Information Technology The Islamia University of BahawalpurBahawalnagar63100Pakistan Department of Signal Theory and Communications and Telematic Engineering Unviersity of ValladolidPaseo de Belén 15Valladolid47011Spain Faculty of Social Science and Humanities Universidad Europea del Atlántico Isabel Torres 21Santander39011Spain Department of Project management Universidad Internacional IberoamericanaCampeche24560México Fundación Universitaria Internacional de Colombia Bogotá111611Colombia Universidad Internacional Iberoamericana AreciboPuerto Rico00613USA Universidade Internacional do Cuanza Cuito46703Angola Department of Information and Communication Engineering Yeungnam UniversityGyeongsan38541South Korea

Predicting depression intensity from microblogs and social media posts has numerous benefits and applications,including predicting early psychological disorders and stress in individuals or the general public.A major challenge in predicting depression using social media posts is that the existing studies do not focus on predicting the intensity of depression in social media texts but rather only perform the binary classification of depression and moreover noisy data makes it difficult to predict the true depression in the social media *** study intends to begin by collecting relevant Tweets and generating a corpus of 210000 public tweets using Twitter public application programming interfaces(APIs).A strategy is devised to filter out only depression-related tweets by creating a list of relevant hashtags to reduce noise in the ***,an algorithm is developed to annotate the data into three depression classes:‘mild,’‘moderate,’and‘Severe,’based on International Classification of Diseases-10(ICD-10)depression diagnostic *** baseline classifiers are applied to the annotated dataset to get a preliminary idea of classification performance on the *** FastText-based model is applied and fine-tuned with different preprocessing techniques and hyperparameter tuning to produce the tuned model,which significantly increases the depression classification performance to an 84%F1 score and 90%accuracy compared to ***,a FastText-based weighted soft voting ensemble(WSVE)is proposed to boost the model’s performance by combining several other classifiers and assigning weights to individual models according to their individual *** proposed WSVE outperformed all baselines as well as FastText alone,with an F1 of 89%,5%higher than FastText alone,and an accuracy of 93%,3%higher than FastText *** proposed model better captures the contextual features of the relatively small sample class and aids in the detection of

关键词： Depression classification deep learning FastText machine learning

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In Silico and in Vitro Analysis of Pyrazolone Derivatives against Zika Virus and Identification of Potential NS5 methyltransferase Inhibitors by molecular Docking

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Journal of Biosciences and medicines 2024年第7期12卷 214-229页

作者： Luciene Soares Silva Tiago Soares Barbosa maria Leonisa Sanchez-Nuñez Aldenise mont Serrat Rosa da Silva Vitor Won-Held Rabelo Leonardo dos Santos Corrêa Amorim Leonardo Alves miceli Percilene Fazolin Vegi Alice Bernardino helena Carla Castro Izabel Christina Nunes de Palmer Paixão Science and Biotechnology Graduate Program Department of Cellular and Molecular Biology Institute of Biology Fluminense Federal University Niteri Brazil Science and Biotechnology Graduate Program Department of Cellular and Molecular Biology Institute of Biology Fluminense Federal University Niterói Brazil Laboratory of Antibiotics Biochemistry Teaching and Molecular Modeling Institute of Biology Fluminense Federal University Niterói Brazil Laboratory of Organic Chemistry at the Institute of Chemistry Institute of Biology Fluminense Federal University Niterói Brazil

Zika virus (ZIKV), a mosquito-borne flavivirus, has been associated with benign infections for decades. However, it has become a public health concern due to its association with severe fetal and neurological complications. Although many efforts have been made to control ZIKV infection, approved vaccines or antiviral drugs are still lacking. Consequently, the development of new effective anti-ZIKV agents is urgently needed. In this context, we investigated the antiviral potential of pyrazolone derivatives against ZIKV replication using in silico and in vitro methods. The four pyrazolone derivatives evaluated (1a, 1b, 1c, and 1d) inhibited over 50% of ZIKV replication with low cytotoxicity. Among them, compound 1b exhibited the most potent activity (EC50 = 4.3 μm) and the highest selectivity (SI = 342). mechanism of action studies indicated that these compounds act at early stages of virus replication, and compound 1b can also directly inactivate ZIKV particles. molecular docking studies suggested that these compounds can bind to and block the activity of ZIKV NS5 methyltransferase. Finally, pharmacokinetic and toxicological predictions have reinforced the safety and drug-like profiles of these derivatives. In conclusion, the pyrazolone scaffold proved to be valuable for anti-ZIKV drug development, and the derivatives studied deserve further investigation.

关键词： Zika Pyrazolone NS5 methyltransferase Antivirals

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One-Stage Correction with Intra- and Extraatrial Rerouting of Anomalous Systemic and Pulmonary Venous Return and Intraventricular Repair of Double Outlet Right Ventricle in a Patient with Heterotaxy Syndrome

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Congenital Heart Disease 2022年第1期17卷 25-30页

作者： helena Staehler Carina Hopfner masamichi Ono Jurgen Horer Department of Congenital and Pediatric Heart Surgery German Heart Center MunichTechnische Universitat MünchenDivision of Congenital and Pediatric Heart SurgeryUniversity Hospital of MunichLudwig-Maximilians-UniversitatMunichGermany Department of Pediatric Cardiology and Pediatric Intensive Care University Hospital of MunichLudwig-Maximilians-UniversitatMunichGermany

We report a very rare case of successful intracardiac correction in a patient with heterotaxy *** cardiac malformations included dextrocardia,double outlet right ventricle,pulmonary stenosis,interrupted inferior vena cava,hemiazygos continuation and total anomalous pulmonary venous ***-stage correction was *** atrial procedure consisted of intra-and extraatrial rerouting of the anomalous systemic and pulmonary venous *** hepatic veins were detached and diverted to the left atrium via an extracardiac *** correction of the double outlet right ventricle was accomplished by intraventricular redirection of the blood flow from the left ventricle to the *** right ventricular outflow was ultimately remodeled using a valved *** better perception of the complex morphology,a three-dimensional model was designed,using CT scan *** proved to be very useful for surgical planning,especially with regard to the intraatrial reconstruction of the systemic and pulmonary venous rerouting.

关键词： Heterotaxy syndrome anomalous systemic venous return anomalous pulmonary venous return azygos continuation double outlet right ventricle 3D modeling

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Improving the haploidization toolbox:maternal factors take the stage

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molecular Plant 2023年第4期16卷 651-653页

作者： maria flores-Tornero helena Sapeta Jorg D.Becker Instituto de Tecnologia Quimica e Biologica Universidade Nova de LisboaAv.daRepublica2780-157OeirasPortugal

Plant breeders have a great interest in obtaining plants that are genetically homogeneous as quickly as possible,with high efficiency and at low *** approaches,including selfing or backcrossing,cannot provide *** technologies,however,offer a solution and are therefore the subject of intensive research,in particular during the last decade.

关键词： breed homogeneous quickly

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Osteogenic differentiation of encapsulated cells in dexamethasone-loaded phospholipid-induced silk fibroin hydrogels

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Biomaterials Translational 2022年第3期3卷 213-220页

作者： Chavee Laomeephol helena Ferreira Sorada Kanokpanont Jittima Amie Luckanagul Nuno m Neves Siriporn Damrongsakkul Department of Pharmaceutics and Industrial Pharmacy Faculty of Pharmaceutical SciencesChulalongkorn UniversityBangkokThailand Biomaterial Engineering for medical and Health Research Unit Chulalongkorn UniversityBangkokThailand B’s Research Group I3Bs-Research Institute on BiomaterialsBiodegradables and BiomimeticsUniversity of MinhoHeadquarters of the European Institute of Excellence on Tissue Engineering and Regenerative MedicineGuimarãesPortugal ICVS/3B’s-PT Government Associate Laboratory Braga/GuimarãesPortugal Department of Chemical Engineering Faculty of EngineeringChulalongkorn UniversityBangkokThailand Biomedical Engineering Research Center Faculty of EngineeringChulalongkorn UniversityBangkokThailand Center of Excellence in Plant-produced Pharmaceuticals Chulalongkorn UniversityBangkokThailand

The tissue engineering triad comprises the combination of cells,scaffolds and biological ***,we prepared cell-and drug-loaded hydrogels using in situ silk fibroin(SF)hydrogels induced by dimyristoyl glycerophosphoglycerol(DmPG).DmPG is reported to induce rapid hydrogel formation by SF,facilitating cell encapsulation in the hydrogel matrix while maintaining high cell viability and proliferative *** addition,DmPG can be used for liposome formulations in entrapping drug ***(Dex)was loaded into the DmPG-induced SF hydrogels together with human osteoblast-like SaOS-2 cells,then the osteogenic differentiation of the entrapped cells was evaluated in vitro and compared to cells cultured under standard *** production by cells cultured in DmPG/Dex-SF hydrogels with Dex-depleted osteogenic medium was equivalent to that of cells cultured in conventional osteogenic medium containing *** extended-release of the entrapped Dex by the hydrogels was able to provide a sufficient drug amount for osteogenic *** controlled release of Dex was also advantageous for cell viability even though its dose in the hydrogels was far higher than that in osteogenic *** results confirmed the possibility of using DmPG-induced SF hydrogels to enable dual cell and drug encapsulation to fulfil the practical applications of tissue-engineered constructs.

关键词： DmPG osteogenic differentiation silk fibroin three-dimensional cell culture tissue engineering

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Optimal plot design in a multipurpose forest inventory

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Forest Ecosystems 2016年第1期3卷 37-50页

作者： helena m.Henttonen Annika Kangas Natural Resources Institute Finland(Luke) Economics and Society unit

Background： We explore the factors affecting the optimal plot design （size and type as well as the subsample tree selection strategies within a plot） and their relative importance in defining the optimal plot design in amultipurpose forest inventory. The factors include time used to lay out the plot and to make the tree measurements within the plot, the between-plot variation of each of the variables of interest in the area, and the measurement and model errors for the different variables. methods： We simulate different plot types and sizes and subsample tree selection strategies on measuredtest areas from North Lapland. The plot types used are fixed-radius, concentric and relascope plots. Weselect the optimal type and size first at plot level using a cost-plus-loss approach and then at cluster level byminimizing the weighted standard error with fixed budget. Results： As relascope plots are ve~/efficient at the plot level for volume and basal area, and fixed-radius plots for stems per ha, the optimal plot type strongly depends on the relative importance of these variables. The concentric plot seems to be a good compromise between these two in many cases. The subsample tree selection strategy was more important in selecting optimal plot than many other factors. In cluster level, the most important factor is the transfer time between plots. Conclusions： While the optimal radius of plots and other parameters were sensitive to the measurement times and other cost factors, the concentric plot type was optimal in almost all studied cases. Subsample tree measurement strategies need further studies, as they were an important cost factor. However, their importance to the precision was not as clear.

关键词： Sample Plot Forest inventory measurement Cost Loss

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Comparison of Classical models for Evaluating the Heat Requirements of Olive(Olea europeae L.) in Portugal

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Journal of Integrative Plant Biology 2006年第6期48卷 664-671页

作者： helena Ribeiro mário Cunha Ilda Abreu Autonomous Section of Agricultural Sciences Faculty of Sciences University of Porto4485-661 VairaoPortugal Department of Botany Faculty of SciencesUniversity of Porto1191-4150 PortoPortugal Institute of Agricultural Sciences and Technology 4485-661 VairaoPortugal Department of Botany Faculty of Sciences University of Porto1191-4150 PortoPortugal Institute for molecular and Cell Biology 823-4150 PortoPortugal

The aim of the present study was to compare the accuracy and reproducibility of six statistical models for the calculation of olive （Olea europeae L.） heat requirements to trigger the onset of flowering in three Portuguese regions： Reguengos de monsaraz, Valenga do Douro, and Braga. Other alms were to ascertain the date on which the heat-accumulation period started and the threshold temperatures above which the development of reproductive structures starts in olives. The starting and peak dates for the regional O. europeae flowering season were estimated by monitoring airborne pollen from 1998 to 2004 using ＂Cour＂- type samplers. The threshold temperature values calculated for the three regions were very similar （9.0 ℃ for Valenca do Douro, 9.2 ℃ for Reguengos de monsaraz, and 9.7 ℃ for Braga）. The accumulated daily mean temperature model had less interannual and inter-regional variation, showing best predictive results for 2004, with absolute differences between the observed and predicted dates of 4 d in Reguengos de monsaraz and 2 d In Valenca do Douro and Braga for the onset of flowering date and of 2 d In Reguengos de monsaraz, 7 d in Valenca do Douro, and 4 d in Braga for peak flowering dates. This model was the most accurate, reproducible, and operational to calculate heat requirements for olives to flower, with an average mean temperature accumulation of 1 446 ℃ In Reguengos, 1 642 ℃ in Valenga do Douro, and 1 703℃ In Braga to reach the onset of flowering. The best initial date for this accumulation was 1 January.

关键词： flowering season heat requirements olives pollen Portugal

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Correlations among large igneous provinces related to the West Gondwana breakup:A geochemical database reappraisal of Early Cretaceous plumbing systems

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Geoscience Frontiers 2023年第1期14卷 181-206页

作者： Antomat A.macêdo Filho maria helena B.m.Hollanda Stephen Fraser Alisson L.Oliveira Alanny C.C.melo Alana R.Dantas Instituto de Geociências Universidade de São Paulo05508-080São PauloBrazil W.H.Bryan mining&Geology Research Centre Sustainable Minerals InstituteThe University of QueenslandSt Lucia CampusQLD 4072Australia Programa de Pós-Graduação em Geodinamica e Geofisica Universidade Federal do Rio Grande do NorteCampus Universitário S/NLagoa Nova59078-970 NatalRNBrazil

The opening and spreading of the Atlantic Ocean between Africa and South America evolved during the Early Cretaceous and were preceded by dramatic tholeiitic(mafic)magmatism and minor silicic and alkaline *** features are presently recognized from the equatorial regions of Brazil and Africa to the Falklands and South *** southeastern South America,continental flood basalts and related plumbing systems constitute the Paranámagmatic Province(PmP),whose African counterpart is the Etendeka magmatic Province(EmP).In northeastern Brazil,dike swarms and sill complexes compose the Equatorial Atlantic magmatic Province(EQUAmP).As a common feature,these provinces are chemically represented by two prevalent magma types:(1)tholeiitic basalts and basaltic andesites with lowTi(TiO_(2)mpatible element *** type is predominantly found in the southern PmP and EmP,with minor occurrences in the EQUAmP.(2)Tholeiitic basalts and basaltic andesites with high Ti(TiO_(2)>~2 wt.%)and incompatible element *** Ti tholeiites are relevant in the northern PmP and EmP,and dominant in *** rocks(SiO_(2)=57-65 wt.%)interpreted as byproducts of assimilation and/or fractional crystallization(AFC)processes from high Ti tholeiitic magmas,are scarce(but present)in all three *** accurate analysis of multivariable databases collected from the literature for dikes and sills,including major and trace element and radiogenic isotope data,reveals close similarities in their geochemical *** a paleogeographic reconstruction of West Gondwana,the intrusive remnants of the PmP,EmP and EQUAmP are spread over an area of nearly 10×10^(6)km^(2).forming perhaps the most extensive set of plumbing systems on Earth,with a relatively consistent chronology based on a vast collection of K-Ar and^(40)Ar/^(39)Ar data available in the *** work provides the first c

关键词： LIP-related plumbing systems Continental tholeiites Paraná-Etendeka EQUAmP Self-organizing maps

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