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designing Artemisinins with Antimalarial Potential, Combining Molecular Electrostatic Potential, Ligand-Heme Interaction and Multivariate Models

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Computational Chemistry 2023年第1期11卷 1-23页

作者： josué de jesus oliveira araújo Ricardo Morais de Miranda Jeferson Stiver oliveira de Castro Antonio Florêncio de Figueiredo Ana Cecília Barbosa Pinheiro Sílvia Simone dos Santos Morais Marcos Antonio Barros dos Santos Andréia de Lourdes Ribeiro Pinheiro Andréia de Lourdes Ribeiro Pinheiro Fábio dos Santos Gil Heriberto Rodrigues Bitencourt Gustavo Nery Ramos Alves josé Ciríaco Pinheiro Laboratório de Química Teórica e Computacional Universidade Federal do Pará Belém PA Brasil Instituto Federal de Educaç &atilde o Ciência e Tecnologia do Pará Belém PA Brasil Universidade do Estado do Amapá Macapá AP Brasil Fundaç &atilde o Santa Casa de Misericórdia do Pará Belém PA Brasil Universidade do Estado do Pará Barcarena PA Brasil departamento de Biologia Universidade do Estado do Maranh&atilde o S&atilde o Luís MA Brasil Laboratório de Síntese Organica Universidade Federal do Pará Belém PA Brasil

Artemisinins tested against W-2 strains of malaria falciparum are investigated with molecular electrostatic potential (MEP), in an attempt to identify key features of the compounds that are necessary for their activities, as well as to investigate likely interactions with the receptor in a biological process and to use that information to propose new molecules. In order to discover the best geometry involving the ligand-receptor complexes (heme) studied and help in the proposition of the new derivatives, molecular simulations of interactions between the most negative charged region around the peroxide and heme locates (the ones around the Fe2+ ion) were carried out. In addition, PCA (principal components analysis), HCA (hierarchical cluster analysis), SDA (stepwise discriminant analysis), and KNN (K-nearest neighbor) multivariate models were employed to investigate which descriptors are responsible for the classification between the higher and lower antimalarial activity of the compounds, and also this information was used to propose new potentially active molecules. The information accumulated in studies of MEP, molecular docking, and multivariate analysis supported the proposal of new structures with potential antimalarial activities. The multivariate models constructed were applied to the new structures and indicated numbers 19 and 20 as the most prominent for syntheses and biological assays.

关键词： Artemisinins Antimalarial Potential Molecular Electrostatic Potential Ligand-Heme Interaction Multivariate Models

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Friction ridge analysis in disaster victim identification(DVI):Brazilian case studies

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Forensic Sciences Research 2022年第2期7卷 323-329页

作者： Marco Antonio de Souza Gabriel de oliveira Urtiaga Renata Cristina Grangeiro Ferreira Luciene Marques da Silva Jade Kende Gonçalves Umbelino Flávio Roberto de Melo Simone de jesus Instituto Nacional de Identificação Polícia FederalBrasíliaBrazil Grupo de Identificação Superintendência Regional da Polícia FederalPorto AlegreBrazil departamento de Polícia Técnica Polícia Civil do Distrito FederalBrasíliaBrazil Núcleo de Identificação Superintendência Regional de Polícia FederalBelo HorizonteBrazil Instituto de Identificação Polícia CivilGoiâniaBrazil

depending on the magnitude and nature of a disaster,identifying the victims can be a complex task that requires coordinated work by disaster victim identification(DVI)teams based on pre-established ***,the analysis of fingerprints has been presented as a method to establish,when possible,the identity of the victims during the DVI *** study discusses the importance of this primary method of identification and the results obtained in four different disasters in which Brazilian DVI teams were involved:the Air France Flight AF447 plane crash in the Atlantic Ocean,floods and mudslides in the State of Rio de Janeiro,Brazil,the LaMia Flight 2933 plane crash in Colombia,and the tailings dam collapse in Brumadinho,***,we also report the use of the automatic fingerprint capture and identification system,called Alethia,developed by the Federal Police of Brazil and used in the victim identification process in the two latter events mentioned above.

关键词： Forensic sciences disaster victim identification DVI fingerprint ridgeology Alethia System

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Source identification and global implications of black carbon

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Geoscience Frontiers 2022年第1期13卷 404-416页

作者： Erika P.Blanco-Donado Ismael L.Schneider Paulo Artaxo jesus Lozano-Osorio Luana Portz Marcos L.S.oliveira department of Civil and Environmental Universidad de la CostaCUCBarranquilla080002Colombia department of Applied Physics Institute of PhysicsUniversity of São PauloSP 05508-220Brazil Universidad de Lima Avenida Javier Prado Este 4600Santiago de Surco 1503Peru

Black carbon(BC)is one of the short-lived air pollutants that contributes significantly to aerosol radiative forcing and global climate *** is emitted by the incomplete combustion of fossil fuels,biofuels,and *** environments are quite complex and thus,the use of mobile jointly with fixed monitoring provides a better understanding of the dynamics of BC distribution in such *** present study addresses the measurement of BC concentration using real-time mobile and ambient monitoring in Barranquilla,an industrialized urban area of the Colombian Caribbean.A microaethalometer(MA200)and an aethalometer(AE33)were used for measuring the BC *** absorption Ångström exponent(AAE)values were determined for the study area,for identifying the BC emission *** results of the ambient sampling show that vehicle traffic emissions prevail;however,the influence of biomass burning was also *** mean ambient BC concentration was found to be 1.04±1.03μg/m^(3) and varied between 0.5 and 4.0μg/m^(3).From the mobile measurements obtained in real traffic conditions on the road,a much higher average value of 16.1±16.5μg/m^(3) was *** parts of the city showed BC concentrations higher than 20μg/m^(3).The spatial distribution of BC concentration shows that vehicle emissions and traffic jams,a consequence of road and transport infrastructure,are the factors that most affect the BC concentration.A comparison of results obtained from two aethalometers indicates that the concentrations measured by MA200 are 9%lower than those measured by *** AAE obtained was found to vary between 1.1 and 1.6,indicating vehicular emissions as the most crucial *** addition,it was observed that the BC concentration on working days was 2.5 times higher than on the weekends in the case of mobile monitoring and 1.5 times higher in the case of ambient monitoring.

关键词： Air pollution Black carbon Spatial distribution Source apportionment AbsorptionÅngström exponent

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Metabolic and nutritional triggers associated with increased risk of liver complications in SARS-CoV-2

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World journal of Hepatology 2022年第1期14卷 80-97页

作者： Rosangela Passos de jesus jozélio Freire de Carvalho Lucivalda Pereira Magalhães de oliveira Carla de Magalhães Cunha Thaisy Cristina Honorato Santos Alves Sandra Tavares Brito Vieira Virginia Maria Figueiredo Allain Amador Bueno Postgraduate Program in Food Nutrition and Health at the School of Nutrition of the Federal University of BahiaSalvador 40.110-150BahiaBrazil Institute of Health Sciences Federal University of BahiaSalvador 40231-300BahiaBrazil Institute of Life Sciences State University of BahiaSalvador 41.150-000BahiaBrazil department of Gastroenterology IPEMEDIpemed Faculty of Medical SciencesSalvador 40170-110BahiaBrazil College of Health Life and Environmental SciencesUniversity of WorcesterWorcester WR26AJUnited Kingdom

Obesity,diabetes,cardiovascular and respiratory diseases,cancer and smoking are risk factors for negative outcomes in severe acute respiratory syndrome coronavirus 2(SARS-CoV-2),which can quickly induce severe respiratory failure in 5%of *** disease-associated liver injury may occur during progression of SARS-CoV-2 in patients with or without pre-existing liver disease,and damage to the liver parenchyma can be caused by infection of *** patients may be particularly vulnerable to SARS-CoV-2 if suffering with cirrhosis-associated immune ***,pharmacotherapies including macrolide or quinolone antibiotics and steroids can also induce liver *** this review we addressed nutritional status and nutritional interventions in severe SARS-CoV-2 liver *** guidelines for SARS-CoV-2 in intensive care(IC)specifically are not yet available,strategies for management of sepsis and SARS are suggested in *** enteral nutrition(EN)should be started soon after IC admission,preferably employing iso-osmolar polymeric formula with initial protein content at 0.8 g/kg per day progressively increasing up to 1.3 g/kg per day and enriched with fish oil at 0.1 g/kg per day to 0.2 g/kg per *** is necessary to identify signs of intolerance,hemodynamic instability and metabolic disorders,and transition to parenteral nutrition should not be delayed when energy and protein targets cannot be met via *** including vitamins A,C,D,E,B6,B12,folic acid,zinc,selenium andω-3 fatty acids have in isolation or in combination shown beneficial effects upon immune function and inflammation *** and monitored supplementation up to upper limits may be beneficial in management strategies for SARS-CoV-2 liver patients.

关键词： COVID-19 SARS-CoV-2 Enteral nutrition Parenteral nutrition Hepatic failure

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Effect of silymarin on biochemical indicators in patients with liver disease: systematic review with meta-analysis

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World journal of Gastroenterology 2017年第27期23卷 5004-5017页

作者： Camila Ribeiro de Avelar Emile Miranda Pereira Priscila Ribas de Farias Costa Rosangela Passos de jesus Lucivalda Pereira Magalhaes de oliveira Postgraduation Program Federal University of Bahia departament of Science Nutrition Federal University of Bahia

AIM To evaluate the effect of silymarin on the serum levels of alanine aminotransferase(ALT),aspartate aminotransferase(AST) and gamma glutamyl transpeptidase(γGT) in patients with liver diseases. METHODS A systematic review with meta-analysis of ramdomized and controlled clinical trials was performed,evaluating the effects of sylimarin in patients with hepatic diseases,published by January 31,2016. Clinical trials were sought on the basis of The Cochrane Central Register of Controlled Trials in the Cochrane Library,Pub Med/Medline,Scopus,Web of Science,Lilacs and Clinical Trials. The trials with adult and elderly patients of both sexes,with Liver Diseases who took oral silymarin supplementation,as extract or isolated,as well as Silymarin combined with other nutrients,were included. The trials should provide information about the intervention,such as dosages and detailing of the product used,besides the mean and standard deviation of serum levels of ALT,AST and γGT of the baseline and at the end of the *** An amount of 10904 publications were identified. From those,only 17 were included in the systematic review and 6 in the meta-analysis,according to the used selection criteria. In this meta-analysis,the results indicated a reduction of 0.26 IU/m L(95%CI:-0.46-0.07,P = 0.007) at the level of ALT and 0.53 IU/m L(95%CI:-0.74-0.32,P = 0.000) at the serum levels of AST after using the silymarin,both,statistically significant,but with no clinical relevance. There was no significant change in the γGT levels. Subgroup analyzes were also performed for the biochemical markers in relation to the type of intervention,whether silymarin isolated or associated with other nutrients and the time of intervention(whether ≥ 6 mo or degree of heterogeneity and low methodological quality in the carried out analysis. CONCLUSION Silymarin minimally reduced,but without clinical relevanc

关键词：系统的评论肝疾病挤蓟 Silymarin 元分析

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Anti-diabetic potential of apigenin,luteolin,and baicalein via partially activating PI3K/Akt/GLUT-4 signaling pathways in insulin-resistant HepG2 cells

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Food Science and Human Wellness 2023年第6期12卷 1991-2000页

作者： Lingchao Miao Haolin Zhang Meng Sam Cheong Ruting Zhong Paula Garcia-oliveira Miguel A.Prieto Ka-Wing Cheng Mingfu Wang Hui Cao Shaoping Nie jesus Simal-Gandara Wai San Cheang Jianbo Xiao Institute of Chinese Medical Sciences University of MacaoMacao 999078China department of Analytical Chemistry and Food Science Faculty of Food Science and TechnologyUniversity of Vigo-Ourense CampusOurense E-32004Spain Institute for Advanced Study Shenzhen UniversityShenzhen 508060China School of Biological Sciences The University of Hong KongHong Kong 999077China College of Food Science and Technology Guangdong Ocean UniversityGuangdong Provincial Key Laboratory of Aquatic Product Processing and SafetyGuangdong Province Engineering Laboratory for Marine Biological ProductsGuangdong Provincial Engineering Technology Research Center of SeafoodKey Laboratory of Advanced Processing of Aquatic Product of Guangdong Higher Education InstitutionZhanjiang 524088China State Key Laboratory of Food Science and Technology China-Canada Joint Lab of Food Science and Technology(Nanchang)Nanchang UniversityNanchang 330047China International Research Center for Food Nutrition and Safety Jiangsu UniversityZhenjiang 212013China

Dietary flavonoids are abundant in natural plants and possess multiple pharmacological and nutritional *** this study,apigenin,luteolin,and baicalein were chosen to evaluate their anti-diabetic effect in high-glucose and dexamethasone induced insulin-resistant(IR)HepG2 *** flavonoids improves the glucose consumption and glycogen synthesis abilities in IR-HepG2 cells via activating glucose transporter protein 4(GLUT4)and phosphor-glycogen synthase kinase(GSK-3β).These fl avonoids signifi cantly inhibited the production of reactive oxygen species(ROS)and advanced glycation end-products(AGEs),which were closely related to the suppression of the phosphorylation form of NF-κB and *** expression levels of insulin receptor substrate-1(IRS-1),insulin receptor substrate-2(IRS-2)and phosphatidylinositol 3-kinase(PI3K)/protein kinase B(Akt)pathway in IR-HepG2 cells were all partially activated by the fl avonoids,with variable ***,the intracellular metabolic conditions of the fl avonoids were also evaluated.

关键词： Apigenin Luteolin Baicalein Insulin-resistant HepG2 cells Signaling pathway Reactive oxygen species(ROS) Advanced glycation end-products(AGEs) Glycogen synthase kinase(GSK-3β) Glucose transporter protein 4(GLUT4)

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Self-reported participation restrictions in normal hearing individuals in thyroid ontogeny: Evidence of subclinical changes

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journal of Otology 2019年第1期14卷 6-11页

作者： Caio Le?nidas oliveira de Andrade Gabriela Carvalho Machado Luan Paulo Franco Magalh?es Elen Pereira de jesus Elaine Alves Matias Taíse Lima de oliveira Cerqueira Hélida Braga de oliveira Luciene da Cruz Fernandes Helton Estrela Ramos Crésio de arag?o Dantas Alves Postgraduate Program in Interactive Processes of Organs and Systems Institute of Health Science–Federal University of Bahia department of Life Sciences University of the State of Bahia Social Services Sister Dulce Institute of Health Science–Federal University of Bahia department of Speech Therapy Institute of Health Science–Federal University of Bahia department of Bioregulation Health & Sciences Institute Federal University Bahia (UFBA) Medical School Institute of Health Science–Federal University of Bahia

Purpose: To verify evidence of subclinical alterations through self-reported participation restrictions in normal hearing individuals and congenital hypothyroidism ***: An analytical, quantitative, cross-sectional exploratory study with a 1:1 ratio, consisting of a convenience sample of 86 normal hearing individuals with(n = 42) and without(n = 44) congenital hypothyroidism diagnosis. All participants underwent tonal and speech audiometry, immitance and distortion product otoacoustic emissions. The researchers excluded people with hearing loss, genetic syndromes and metabolic diseases. The instrument used for evaluate of self-reported participation restrictions was the HHIE-adapted questionnaire, composed of 25 questions, 12 of which were social domain and 13 emotional domain. Student's ttest and chi-square test were used for statistical analysis at a significance level of 5%.Results: There was a significant(p derate(40.5%)and higher prevalence of association with clinical factors and adherence to ***: The findings indicate that self-reported participation restrictions in normal hearing individuals with congenital hypothyroidism was more significant than in the non-exposed group, suggesting evidence of subclinical auditory abnormalities in this population.

关键词： Hearing Hearing loss Auditory perception Congenital hypothyroidism Surveys and questionnaires

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Updates in the Diagnosis of Gestational Trophoblast Disease

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Health 2023年第1期15卷 48-58页

作者： Maira de Lima oliveira Mota Marcela Curvêllo Beltrão Elizabeth Bacha Eduardo Fonseca Mascarenhas Filho Maísa Mendonça de jesus Nelson Henriky Felix Mascarenhas Tallys Leandro Barbosa da Silva Maria Fernanda Telles Pires de Souza Victoria de oliveira Carmo Borges Séfora Maria Fragoso Braga Centro Universitário Tiradentes (UNIT) Maceió Brasil Estácio de Juazeiro do Norte (FMJ) Ceará Brasil Universidade Federal de Alagoas (UFAL) Maceió Brasil Sã o Leopoldo Mandic Campinas Brasil Hospital Regional de arapiraca Arapiraca Brasil

GTD (Gestational Trophoblastic Disease) is a pathology that encompasses benign and malignant clinical forms, affects women of childbearing age, has a variable incidence and is more frequent in developing or underdeveloped countries, colliding with the economic barrier. The frequent absence of clear protocols and guidelines for the correct diagnosis of the pathology results in inadequate classification, imprecise treatment and failed post-therapeutic observation, increasing the risk of relapses, morbidity and mortality. The present study aims to point out updated national and international practice protocols of diagnosis of GTD, through an integrative review. Seven articles were selected and it was observed that the main international reference centers are agreed with the management suggested by the IFGO (International Federation of Gynecology and Obstetrics), being the conduct in the Hydatidiform Mole (HM): evacuation by suction and curettage under ultrasound guidance, followed by hCG monitoring every 1 - 2 weeks until normalized (usually one month for Partial Hydatidiform Mole six months for Complete Hydatidiform Mole and one year for Gestational Trophoblastic Neoplasia). Unfortunately, regarding the diagnosis of MH, the guidelines of some countries show the absence or difficulty of access to the karyotype test and ploid p57 or pelvic ultrasound accompanying the uterine curettage, contrary to what is proposed by the IFGO guideline. Establishing and complying with consistent guidelines can improve patient care, with early diagnosis of the pathology and its complications, reducing the rate of recurrence, morbidity and mortality, especially in less developed countries.

关键词： Diagnosis Gestational Trophoblastic Disease Updates

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World journal of Clinical Cases 2021年第17期9卷 4123-4132页

作者： Rodrigo Nascimento Pinheiro Samantha Mucci Renato Morato Zanatto Olavo Magalhães Picanço Junior Alexandre Ferreira oliveira Gaspar de jesus Lopes Filho Surgical Oncology Service Surgical Oncology Residency and Academic League of OncologyFederal District Base HospitalBrasília 70330-150Distrito FederalBrazil department of Psychiatry Federal University of São PauloPaulista School of Medicine(UNIFESP-EPM)São Paulo 04024-002São PauloBrazil department of Surgical Oncology Amaral Carvalho Cancer HospitalJaú17210-070São PauloBrazil department of Surgical Oncology Federal University of AmapáMacapá68900-073AmapáBrazil department of Surgery Juiz de Fora Federal UniversityJuiz de Fora 36036-110Minas GeraisBrazil Postgraduate Program in Interdisciplinary Surgical Science Federal University of São PauloPaulista School of Medicine(UNIFESP-EPM)São Paulo 04024-002São PauloBrazil

In Brazil,gastric cancer is the third most common type of cancer among men and fifth among women,with an estimated 13360 new cases among men and 7870 among women each year during the 2020-2022 *** study presents reflections and attempts to add knowledge to the theme of quality of life(QoL)in patients with gastric adenocarcinoma and describes some of its characteristics in three regions of Brazil,with an evaluation of the disease’s impacts in various dimensions of life,as reported by the patients *** performed a narrative review of the literature and a data analysis of studies on QoL in Brazilian patients treated for gastric adenocarcinoma from three different cities in three geographic regions:Brasília(the midwest),Jaú(the southeast),and Macapá(the north).

关键词： Quality of life Gastric cancer Gastrectomy Stomach cancer Stomach neoplasms Gastric neoplasms

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Effects of quantitative feed restriction and sex on carcass traits,meat quality and meat lipid profile of Morada Nova lambs

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journal of Animal Science and Biotechnology 2017年第4期8卷 992-1003页

作者： Thiago L.A.C.de araújo Elzania S.Pereira Ivone Y.Mizubuti Ana C.N.Campos Marília W.F.Pereira Eduardo L.Heinzen Hilton C.R.Magalhaes Leilson R.Bezerra Luciano P da Silva Ronaldo L.oliveira department of Animal Science Federal University of CearaFortaleza 60356001CearaBrazil department of Animal Science State University of LondrinaLondrina 86051990ParanáBrazil Laboratory of Sensory Analysis Agency for Agricultural Research(EMBRAPA-Tropical Agroindustry)Fortaleza 60511110CearáBrazil department of Animal Science Campus Professora Cinobelina ElvasFederal University of PiauíBom Jesus 64900000PiauiBrazil department of Animal Science School of Veterinary Medicine and Animal Science/Federal University of BahiaSalvador CityBahia State 40.170-110Brazil

Background: An experiment was conducted to evaluate the effects of feed restriction(FR) and sex on the quantitative and qualitative carcass traits of Morada Nova lambs. Thirty-five animals with an initial body weight of 14.5 ± 0.89 kg and age of 120 d were used in a completely randomized study with a 3 × 3 factorial scheme consisting of three sexes(11 entire males, 12 castrated males and 12 females) and three levels of feeding(ad libitum – AL and 30% and 60% FR).Results: Entire males presented greater hot and cold carcass weights(P arachidonic acid in the meat of the longissimus thoracis muscle. The meat of animals submitted to AL intake and 30% FR showed similar(P > 0.05) concentrations, and the concentrations of palmitic acid, palmitoleic acid, stearic acid, oleic acid and conjugated linoleic acid were higher(P desirable fatty acids in addition to a greater atherogenicity index(AI) and thrombogenicity index(TI).Conclusion: Lambs of different sexes had carcasses with different quantitative traits without total influence on the chemical and physical meat characteristics. The lipid profile of the meat was less favorable to consumer health when the animals were female or submitted to 60% feed restriction.

关键词： Dietary restriction Fatty acid Hair sheep Lean meat Semi-arid condition

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