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Computational Analysis of Physicochemical, Pharmacokinetic and Toxicological Properties of Deoxyhypusine Synthase Inhibitors with Antimalarial Activity

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Computational Molecular bioscience 2014年第4期4卷 47-57页

作者： Nayara S.R.Silva Luana K.S.Goncalves Jonatas L.Duarte Juliane S.Silva César F.santos Francinaldo S.braga Raí C.Silva Josivan S.Costa Lorane I.S.Hage-Melim cleydson b.rdos santos Laboratory of Modeling and Computational Chemistry Federal University of AmapáCampus Universitário Marco ZeroMacapáBrazil Postgraduate Program in Pharmaceutical Sciences Federal University of AmapáMacapáBrazil

Malaria is a parasitic disease which has as etiological agents protozoa of the genus Plasmodium prevalent in tropical countries. The appearance of Plasmodium strains resistant to artemisinin has become necessary the development of new drugs using computational tools to combat this epidemic. Diverse transporter proteins can act as antimalarials targets, thereby being the enzyme deoxyhypusine synthase a promising antimalarial target. The present study aimed to investigate 15 most active inhibitors of deoxyhypusine synthase target, deposited in databases binding Db, in order to trace a pattern of physicochemical, pharmacokinetic and toxicological properties of the inhibitors for this enzyme and propose new inhibitors of deoxyhypusine synthase target. The physicochemical properties were obtained according to the Lipinski parameters to evaluate oral absorption. based on the certain properties were proposed three new inhibitors (A, b and C). The ADME/Tox properties were calculated for new inhibitors compared with results of the selected compounds. The fifteen inhibitors for oral administration showed satisfactory results, because they have adapted to the Lipinski parameters. In relation to the penetration of the blood-brain barrier the inhibitors analyzed showed penetration values less than 1, and ranged from 0.0411815 to 0.481764, being that the compound 1 showed value of Cbrain/Cblood = 0.135467. Compound b showed a higher strength in plasma protein binding in relation to the compound 1, having a variation be-tween them of ±1.489344. Therefore, the compound b would present a longer halflife compared with compound 1. The proposed compounds showed positive and satisfactory results, being able to reach less adverse effects related to the central nervous system depending of administered dose.

关键词： Antimalarial Activity Deoxyhypusine Synthase Inhibitors Physicochemical Property Pharmacokinetic and Toxicological Properties

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Complexed amino acid minerals ***-glycinate chelated minerals:Impact on the performance of old laying hens

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Animal Nutrition 2024年第1期16卷 395-408页

作者： Marcos J.b.santos Maria C.M.M.Ludke Leandro M.Silva Carlos b.V.Rabello Mércia R.barros Fabiano S.Costa Clariana S.santos Jamille S.S.Wanderley Department of Animal Science Rural Federal University of PernambucoRecifePEBrazil Department of Veterinary Science Rural Federal University of PernambucoRecifePEBrazil

The present study was to evaluate the effect of trace minerals(Zn,Mn,and Cu)from complexed amino acid minerals(ZMCAA)and bis-glycinate chelated minerals(ZMCGly)in laying hen diets on performance,internal and external egg quality,yolk mineral deposition,intestinal morphometry,and bone *** 78 to 98 weeks of age,400 White LSL-Lite strain laying hens were distributed in a randomized design with 4 treatments with 10 replicates per *** were distributed in a 2×2 factorial arrangement using either Zn,Mn,and Cu of ZMCAA or ZMCGly source at 2 levels:low(20,20,and 3.5 mg/kg of Zn,Mn,and Cu,respectively)or high(40,40,and 7 mg/kg of Zn,Mn,and Cu,respectively).The analysis of variance was performed,and in cases where differences were observed,the means were compared using Tukey?s test(Pbumen height(P=0.01),albumen weight(P=0.01),and eggshell thickness(Pbone densitometry(Pbia were higher with ZMCAA *** the small intestine,ZMCAA resulted in longer villi(P=0.02)and shorter crypt depth(P=0.01)in the *** and ileum measurements were influenced by the level and source of trace minerals(Pbited superior performance,egg quality,deposition of trace minerals in the egg yolk,and bone density compared to hens fed *** this study,older laying hens supplemented with ZMCAA at lower levels demonstrated adequate levels of supplementation.

关键词： bis-glycinates Metal-amino acids Radiodensity Trace minerals

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Unveiling the silent crisis:global burden of suicide‑related deaths among children aged 10–14 years

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World Journal of Pediatrics 2024年第4期20卷 371-391页

作者： Irmina Maria Michalek Pawel Koczkodaj Marzena Michalek Florentino Luciano Caetano dos santos Department of Cancer Epidemiology and Primary Prevention Maria Sklodowska-Curie National Research Institute of Oncologyul.Wawelska 15 BWarsawPoland Private Psychiatric Practice-Marzena Michalek MDSiedlcePoland Harvard business School Harvard UniversityBostonMAUSA

background The rise in suicides among children aged 10–14 years demands urgent attention *** study aims to assess the global burden of suicide-related deaths in this age group from 1990 to 2019,considering factors such as sex,geography,and sociodemographics,to inform prevention strategies and *** The data from Global burden of Disease 2019,encompassing 204 countries and territories,were analyzed to investigate deaths and years of life lost(YLLs)due to suicide among children aged 10–14 *** analyses,including mortality rates,YLLs,and the sociodemographic index(SDI),were conducted using standardized *** In 2019,a total of 8327[95%uncertainty interval(UI)=7073–9685]children aged 10–14 years died globally due to suicide,with a mortality rate of 1.30(95%UI=1.10–1.51)per 100,*** rates varied across countries/territories ranging between 0.05(95%UI=0.02–0.10)in South Africa and 7.49(95%UI=5.13–10.57)in *** contribution of suicide-related deaths to all-cause mortality ranged from 0.07%(95%UI=0.04%–0.15%)in South Africa to 33.02%(95%UI=24.36%–41.53%)in ***,there were approximately 636,196(95%UI=540,383–740,009)YLLs due to suicide,with a rate of 99.07(95%UI=84.15–115.23)per 100,*** association between SDI and suicide-related deaths was evident,with higher contributions observed in countries with higher *** This study reveals a concerning global burden of suicide-related deaths among children aged 10–14 *** progress in reducing mortality rates,suicide remains a significant *** overall rates have declined,the percentage of deaths caused by suicide in this age group is increasing.

关键词： Early adolescent Global burden of Disease Incidence Suicide Years of life lost

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A facile strategy for tuning the density of surface-grafted biomolecules for melt extrusion-based additive manufacturing applications

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bio-Design and Manufacturing 2024年第3期7卷 277-291页

作者： I.A.O.beeren G.Dos santos P.J.Dijkstra C.Mota J.bauer H.Ferreira Rui L.Reis N.Neves S.Camarero-Espinosa M.b.baker L.Moroni Department of Complex Tissue Regeneration MERLN Institute for Technology-Inspired Regenerative MedicineMaastricht University6229 ER MaastrichtThe Netherlands 3b’s Research Group I3Bs–Research Institute on BiomaterialsBiodegradables and BiomimeticsHeadquarters of the European Institute of Excellence on Tissue Engineering and Regenerative MedicineUniversity of MinhoAveParkZona Industrial da Gandra4805-017 BarcoGuimarãesPortugal ICVS/3b’s-PT Government Associate Laboratory 4806-909 Braga/GuimarãesPortugal POLYMAT University of the Basque Country UPV/EHU20018 Donostia/San SebastiánSpain IKERbASQUE Basque Foundation for Science48009 BilbaoSpain

Melt extrusion-based additive manufacturing(ME-AM)is a promising technique to fabricate porous scaffolds for tissue engi-neering ***,most synthetic semicrystalline polymers do not possess the intrinsic biological activity required to control cell *** of biomolecules on polymeric surfaces of AM scaffolds enhances the bioactivity of a construct;however,there are limited strategies available to control the surface ***,we report a strategy to tune the surface density of bioactive groups by blending a low molecular weight poly(ε-caprolactone)5k(PCL5k)containing orthogonally reactive azide groups with an unfunctionalized high molecular weight PCL75k at different *** porous three-dimensional(3D)scaf-folds were then fabricated using a high weight percentage(75 wt.%)of the low molecular weight PCL *** a proof-of-concept test,we prepared films of three different mass ratios of low and high molecular weight polymers with a thermopress and reacted with an alkynated fluorescent model compound on the surface,yielding a density of 201-561 pmol/cm^(2).Subsequently,a bone morphogenetic protein 2(bMP-2)-derived peptide was grafted onto the films comprising different blend compositions,and the effect of peptide surface density on the osteogenic differentiation of human mesenchymal stromal cells(hMSCs)was *** two weeks of culturing in a basic medium,cells expressed higher levels of bMP receptor II(bMPRII)on films with the conjugated *** addition,we found that alkaline phosphatase activity was only significantly enhanced on films contain-ing the highest peptide density(i.e.,561 pmol/cm^(2)),indicating the importance of the surface *** together,these results emphasize that the density of surface peptides on cell differentiation must be considered at the cell-material ***,we have presented a viable strategy for ME-AM community that desires to tune the bulk and surface functionality via blending of(m

关键词： Additive manufacturing blending Surface functionalization Surface density Click chemistry Human

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Towards an integrated risk analysis security framework according to a systematic analysis of existing proposals

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Frontiers of Computer Science 2024年第3期18卷 199-216页

作者： Antonio santos-OLMO Luis Enrique SÁNCHEZ David G.ROSADO Manuel A.SERRANO Carlos bLANCO Haralambos MOURATIDIS Eduardo FERNÁNDEZ-MEDINA GSyA Research Group University of Castilla-La ManchaCiudad Real 13071Spain Institute for Analytics and Data Science University of EssexColchester CO43SQUK Alarcos Research Group University of Castilla-La ManchaCiudad Real 13071Spain ISTR Research group Department of Computer Science and ElectronicsUniversity of CantabriaSantander 39005Spain

The information society depends increasingly on risk assessment and management systems as means to adequately protect its key information *** availability of these systems is now vital for the protection and evolution of ***,several factors have led to an increasing need for more accurate risk analysis *** are:the speed at which technologies evolve,their global impact and the growing requirement for companies to *** analysis processes must consequently adapt to these new circumstances and new technological *** objective of this paper is,therefore,to present the results of an exhaustive analysis of the techniques and methods offered by the scientific community with the aim of identifying their main weaknesses and providing a new risk assessment and management *** analysis was carried out using the systematic review protocol and found that these proposals do not fully meet these new *** paper also presents a summary of MARISMA,the risk analysis and management framework designed by our research *** basis of our framework is the main existing risk standards and proposals,and it seeks to address the weaknesses found in these *** is in a process of continuous improvement,as is being applied by customers in several European and American *** consists of a risk data management module,a methodology for its systematic application and a tool that automates the process.

关键词： information security management security system security risk assessment and management

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Long-term trends in the abundance and breeding performance in Adélie penguins:the Argentine Ecosystem Monitoring Program

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Advances in Polar Science 2024年第1期35卷 132-140页

作者： Mariana A.JUÁRES AnahíM.SILVESTRO brenda C.ALFONSO M.Mercedes santos Departamento biología de Predadores Tope Instituto Antártico Argentino(IAA)Buenos Aires B1650CSPArgentina Consejo Nacional de Investigaciones Científicas y Técnicas(CONICET) Buenos Aires C1425FQBArgentina Laboratorios Anexos Facultad de Ciencias Naturales y MuseoUniversidad Nacional de La PlataLa Plata B1904AMAArgentina INEDES(CONICET-UNLu) Buenos Aires C1425FQBArgentina Facultad de Ciencias Naturales y Museo Universidad Nacional de La PlataLa Plata B1900FWAArgentina Instituto Antártico Argentino(IAA) Buenos Aires B1650CSPArgentina

In this work,we report long-term trends in the abundance and breeding performance of Adélie penguins(Pygoscelis adeliae)nesting in three Antarctic colonies(i.e.,at Martin Point,South Orkneys Islands;Stranger Point/Cabo Funes,South Shetland Islands;and Esperanza/Hope bay in the Antarctic Peninsula)from 1995/96 to 2022/*** yearly count data of breeding groups selected,we observed a decline in the number of breeding pairs and chicks in crèche at all colonies ***,the magnitude of change was higher at Stranger Point than that in the remaining ***,the index of breeding success,which was calculated as the ratio of chicks in crèche to breeding pairs,exhibited no apparent trend throughout the study ***,it displayed greater variability at Martin Point compared to the other two colonies under *** the number of chicks in crèche of Adélie penguins showed a declining pattern,the average breeding performance was similar to that reported in gentoo penguin colonies,specifically,those undergoing a population increase(even in sympatric colonies facing similar local conditions).Consequently,it is plausible to assume a reduction of the over-winter survival as a likely cause of the declining trend observed,at least in the Stranger Point and Esperanza ***,we cannot rule out local effects during the breeding season affecting the Adélie population of Martin Point.

关键词： long-term monitoring Adélie penguin breeding pairs chicks crèched breeding success population trends

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Immune response to inactivated bacterial vector carrying the recombinant K39 antigen of Leishmania infantum in mice

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Asian Pacific Journal of Tropical biomedicine 2024年第5期14卷 199-206页

作者： Lucelina S.Araújo bruno b.Silva Eduarda N.F.N.santos Arnaldo S.bezerra Samuel S.Frota Assis R.Montenegro Eridan O.P.T.Florean Maurício Fvan Tilburg Maria Izabel F.Guedes Laboratory of biotechnology and Molecular biology Northeast Biotechnology NetworkState University of CearáFortalezaBrazil Faculty of Veterinary Medicine State University of CearáFortalezaBrazil

Objective:To evaluate the immunological response elicited by an inactivated bacterial vector carrying the K39 antigen of Leishmania infantum,and a purified ***:Mice were subjected to the following treatments:(1)Purified recombinant K39(rK39)protein at a 20μg dose with complete Freund’s adjuvant;(2)Inactivated Escherichia coli(bL21 DE3)carrying the K39 protein at an equivalent total protein content of 200μg;(3)Inactivated bacteria lacking the K39 protein;(4)Non-immunized control *** monitoring was *** groups were challenged by intraperitoneal injection of 10^(7) Leishmania infantum *** euthanasia,the liver and spleen were collected to analyze the levels of TNF,IFN-γ,IL-12,IL-4,and ***:Mice immunized with purified rK39 or the inactivated bacterial vector carrying the K39 antigen of Leishmania infantum showed a long-lasting immune response with high levels of polyclonal antibodies specifically recognizing the recombinant *** IgG1 subclass was the predominant immunoglobulin;however,the induction of IgG2a and the profile of cytokines produced were indicative of the induction of a mixed-type ***:The inactivated bacterial vector carrying the K39 antigen,as well as the purified antigen can induce a long-lasting immune response in immunized mice,predominantly favouring a Th2 profile response.

关键词： Visceral leishmaniasis K39 Inactivated bacterial vector Vaccine Immune response Th1 Th2 Leishmania infantum

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Liver transplantation as an alternative for the treatment of perihilar cholangiocarcinoma: A critical review

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Hepatobiliary & Pancreatic Diseases International 2024年第2期23卷 139-145页

作者： Wellington Andraus Francisco Tustumi Alexandre Chagas Santana Rafael Soares Nunes Pinheiro Daniel Reis Waisberg Liliana Ducatti Lopes Rubens Macedo Arantes Vinicius Rocha santos Rodrigo bronze de Martino Luiz Augusto Carneiro D’Albuquerque Department of Gastroenterology Transplantation UnitUniversidade de São PauloSão PauloBrazil

background:Perihilar cholangiocarcinoma(phCCC)is a dismal *** is no consensus regard-ing the best treatment for patients with unresectable *** present review aimed to gather the current pieces of evidence for liver transplantation and liver resection as a treatment for phCCC and to build better guidance for clinical *** sources:The search was conducted in PubMed,Embase,Cochrane,and *** related references were searched *** criteria were:reports in English or Portuguese literature that a)patients with confirmed diagnosis of phCCC;b)patients treated with a curative intent;c)patients with the outcomes of liver resection and liver *** reports,reviews,letters,editorials,conference abstracts and papers with full-text unavailability were excluded from the ***:Most of the current literature is based on observational retrospective studies with low grades of *** resection has better long-term outcomes than systemic chemotherapy or palliation ther-apy and liver transplantation is a good alternative for selected patients with unresectable *** candidates for resection or transplantation should be medically fit and free of intrahepatic or extrahep-atic *** a general rule,patients presenting with a tumor having a longitudinal size>3 cm or extending below the cystic duct,lymph node disease,confirmed extrahepatic dissemination;intraoper-atively diagnosed metastatic disease;a history of other malignancies within the last five years,and did not complete chemoradiation regimen and were medically unfit should not be considered for *** of these criteria should be individually *** transplantation or resection should only be considered in highly experienced hepatobiliary centers,and any decision-making must be based on a multidisciplinary ***:phCCC is a complex condition with high *** therapies,including hepatec-tomy and liv

关键词： Liver transplantation Cholangiocarcinoma Liver neoplasms

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Exercised blood plasma promotes hippocampal neurogenesis in the Alzheimer's disease rat brain

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Journal of Sport and Health Science 2024年第2期13卷 245-255页

作者： Cecilie Skarstad Norevik Aleksi M.Huuha Ragnhild N.RФsbjФrgen Linda Hildegard bergersen Kamilla Jacobsen Rodrigo Miguel-dos-santos Liv Ryan belma Skender Jose bianco N.Moreira Asgeir Kobro-Flatmoen Menno P.Witter Nathan Scrimgeour Atefe R.Tari Cardiac Exercise Research Group(CERG) Department of Circulation and Medical ImagingNorwegian University of Science and Technology7491TrondheimNorway Department of Neurology and Clinical Neurophysiology St.Olavs University Hospital7030TrondheimNorway Institute of Oral biology University of Oslo0372OsloNorway Department of Physiology Federal University of SergipeS~ao Cristov~ao49100-000SergipeBrazil Centre of Molecular Inflammation Research Department of Clinical and Molecular MedicineNorwegian University of Science and Technology7491TrondheimNorway Kavli Institute for Systems Neuroscience Centre for Neural Computationand Egil and Pauline Braathen and Fred Kavli Centre for Cortical MicrocircuitsNorwegian University of Science and Technology7030TrondheimNorway K.G.Jebsen Centre for Alzheimer’s Disease Norwegian University of Science and Technology7030TrondheimNorway

background:Exercise training promotes brain plasticity and is associated with protection against cognitive impairment and Alzheimer’s disease(AD).These beneficial effects may be partly mediated by blood-borne *** we used an in vitro model of AD to investigate effects of blood plasma from exercise-trained donors on neuronal viability,and an in vivo rat model of AD to test whether such plasma impacts cognitive function,amyloid pathology,and ***:Mouse hippocampal neuronal cells were exposed to AD-like stress using amyloid-βand treated with plasma collected from human male donors 3 h after a single bout of high-intensity *** in vivo studies,blood was collected from exercise-trained young male Wistar rats(high-intensity intervals 5 days/week for 6 weeks).Transgenic AD rats(McGill-R-Thyl-APP)were inj ected 5 times/fortnight for 6 weeks at2 months or 5 months of age with either(a)plasma from the exercise-trained rats,(b)plasma from sedentary rats,or(c)*** function,amyloid plaque pathology,and neurogenesis were *** plasma used for the treatment was analyzed for 23 ***:Plasma from exercised donors enhanced cell viability by 44.1%(p=0.032)and reduced atrophy by 50.0%(pbut did increase hippocampal neurogenesis by~3 fold,regardless of pathological stage,when compared to saline-treated *** of 7 cytokines were significantly reduced in exercised plasma compared to sedentary ***:Our proof-of-concept study demonstrates that plasma from exercise-trained donors can protect neuronal cells in culture and promote adult hippocampal neurogenesis in the AD rat *** effect may be partly due to reduced pro-inflammatory signaling molecules in exercised plasma.

关键词： Cytokines High-intensity interval training Inflammation Neurons Plasma transfusion

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Evaluation of the Antibacterial and Antifungal Capacity of Nanoemulsions Loaded with Synthetic Chalcone Derivatives Di-benzyl Cinnamaldehyde and benzyl 4-Aminochalcone

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Journal of Renewable Materials 2024年第2期12卷 285-304页

作者： Flavia Oliveira Monteiro da Silva Abreu Taysse Holanda Joice Farias do Nascimento Henety Nascimento Pinheiro Rachel Menezes Castelo Hélcio Silva dos santos Thais benincá Patrícia da Silva Malheiros Júlio César Sousa Prado Raquel de Oliveira Fontenelle Maria Madalena de Camargo Forte Natural Polymers Laboratory PPGCNState University of CearáFortaleza60.714.903Brazil Polymeric Materials Laboratory PPGE3MFederal University of Rio Grande do SulPorto Alegre91501-970Brazil Natural Product Chemistry Laboratory PPGCNState University of CearáFortaleza60.714.903Brazil Food Hygiene and Microbiology Laboratory PPGCTAFederal University of Rio Grande do SulPorto Alegre91501-970Brazil Microbiology Laboratory Medicine SchoolFederal University of CearáSobral62010-560Brazil

With the increase in antimicrobial resistance,it has become necessary to explore alternative approaches for combating and preventing ***-cinnamaldehyde(CNM)and benzyl4-amino(b4AM)are bioactive compounds derived from chalcones but with restricted solubility in aqueous *** can enhance the solubility of compounds and can be a promising alternative in the development of novel antimicrobials,with reduced side effects and prolonged *** objective of this study was to evaluate the stability of oil-in-water nanoemulsions loaded with two distinct types of chalcones at two different dosages,to propose a stable formulation with antimicrobial *** showed that nanoemulsions presented high encapsulation efficiency,low polydispersity index(PDI)and particle size below 200 nm,indicating that emulsification was a suitable method for nanoemulsion *** with higher dosages exhibited significant antimicrobial effects when compared to free chalcones and positive ***,b4AM nanoemulsions at higher dosages showed expressive activity against Salmonella minnesota,with a 420%greater inhibitory response compared to the free form and showing equivalence to the positive *** nanoemulsions showed excellent inhibitory activity at the highest dosage,equivalent to the positive control against *** and Staphylococcus *** greater number of conjugated bonds in CNM increased the antimicrobial activity in comparison with b4AM,and the formation of nanometric domains enhanced the bioavailability,being a promising alternative for antimicrobial applications.

关键词： Polysaccharide nanoemulsions S.aureus S.minnesota chalcones alginate

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