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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

Dehydrated Natural Feed for Cats: Influence on Apparent Digestibility Coefficient, Feces Scores, and Serum Immune, Antioxidant, and Metabolic Biomarkers

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Food and Nutrition Sciences 2024年第7期15卷 594-611页

作者： Bruno Giorgio de Oliveira Cécere Guilherme Luiz Deolindo Bianca F. Bissacotti Priscila Marquezin Copetti maria rosa Chitolina Schetinger Bruna Klein Matheus Delamea Baldissera Thiago Pereira Ribeiro Walter Hugo Cuelho Suarez Daniel Pigatto Monteiro Aleksandro Schafer Da silva Graduate Multicenter Program in Biochemistry and Molecular Biology University of the State of Santa Catarina Lages Brazil Department of Biochemistry and Molecular Biology Universidade Federal de Santa Maria (UFSM) Santa Maria Brazil Department of Animal Science Universidade Federal de Santa Maria (UFSM) Chapec Brazil Department of Health Science Universidade Franciscana (UFN) Santa Maria Brazil Department of Animal Nutrition Tectron-Tecnologia e Inovao Toledo Brazil

The present study aimed to determine whether natural dehydrated feed (DNF) can replace dry extruded feed while preserving the required daily intake, nutrient digestibility and benefits for immunity and antioxidant response in cats. The animals were divided into two groups of seven animals each. One group received DNF, and the other consumed commercial extruded dry feed (DCF). The experiment lasted 45 days and we measured daily consumption and collected blood and feces samples. The animals in the DNF group showed greater digestibility of fiber and mineral matter than DCF. Cats in the DNF group had a higher volume of feces. DNF cats had lower leukocyte and granulocyte counts and cholesterol levels. Serum enzymatic antioxidant responses and non-enzymatic were higher in DNF cats. Cats in the DNF group showed lower serum acute phase proteins in addition to a tendency toward a higher concentration of transferrin than in the DCF group. Fecal Escherichia coli and total coliform counts of cats fed DNF were higher than DCF. We conclude that the daily consumption of cats is adequate. This feed had greater digestibility of fiber and mineral matter, in addition to an improvement in antioxidant and immunological responses.

关键词： Alternative Feed Antioxidant Companion Animals Health

Antimicrobial Activity, Structural, Crystallographic and Thermal Characteristics of Alpha-Titanium Phosphate Promoted by Silver Ions

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Materials Sciences and Applications 2024年第8期15卷 253-269页

作者： Enzo Erbisti garcia Agnes maria Cupertino Fernandes Araujo Gerson Alberto Valencia Albitres Daniela de França da silva Freitas Danielle Mattos mariano Carlos Magno Fialho Soares Sibele Piedade Cestari Marco Antônio Lemos Miguel Luis Claudio Mendes Institute of Macromolecules Professora Eloisa Mano Federal University of Rio de Janeiro Avenida Horacio Macedo 2030 Centro de Tecnologia Bloco J Ilha do Fundo Rio de Janeiro Brazil Institute of Microbiology Paulo de Ges Federal University of Rio de Janeiro Centro de Ciencias da Saude Bloco I Ilha do Fundo Rio de Janeiro Brazil Innovation in Polymer Engineering (PIEP) University of Minho Guimares Portugal

The recent global spread of the pandemic underscores the necessity of seeking new materials effective against microorganisms. Nanotechnology offers avenues for developing multifunctional materials. In this study, alpha-titanium phosphate (α-TiP) nanoparticles were synthesized and treated with silver salt to enhance their antimicrobial properties. The physicochemical characteristics and antimicrobial activity were evaluated. It was revealed by X-ray diffraction analysis that the structural integrity of α-TiP was influenced by ethylenediamine and silver ions. Distinct degradation profiles for each chemical modification were shown by thermogravimetric analysis. Infrared spectroscopy detected shifts and new absorption peaks in the spectra depending on the type of modification. Energy dispersive spectroscopy confirmed the disaggregation of α-TiP galleries following the addition of silver salt, which increased their effectiveness against microorganisms. Notably, only the sample treated with silver ions exhibited antimicrobial action. Antimicrobial activity was tested against the bacteria of medical importance Escherichia coli, Salmonella Enteritidis, Pseudomonas aeruginosa, Staphylococcus aureus, Bacillus cereus, Listeria momocytogenes and the yeast Candida albicans. All microorganisms were inhibited by sample containing silver. Minor inhibition was observed against the Gram-positive bacteria L. monocytogenes and Bacillus cereus, while the greatest inhibition occurred against the fungus (yeast) C. albicans. The results revealed a potential application of the nanoparticles for control of microorganisms in public health.

关键词： Titanium Phosphate Silver Nitrate Antimicrobial Action

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国际护理知识网络建设的调查研究

International Journal of Nursing Sciences 2024年第3期11卷 374-380,I0004,I0005页

作者： Margareth Santos Zanchetta Suzanne Fredericks Kateryna Metersky Geraldine Martorella Pammla Petrucka Laurie Clune Kelly Graziani Giacchero Vedana Cristina rosa Soares Lavareda Baixinho Cristianne maria Famer Rocha Sara Campagna Sally Zhang He Márcia Teles de Oliveira Gouveia Marcelo Medeiros Denize Bouttelet Munari Daniel Gonzalo Eslava Albarracin Carlos Aguilera-Serrano Walterlania silva Santos Toronto Metropolitan University TorontoCanada Florida State University TallahasseeUSA University of Saskatchewan ReginaCanada University of Regina ReginaCanada State of Sao Paulo University Ribeirao PretoBrazil Lisbon Superior School of Nursing LisbonPortugal Federal University of Rio Grande do Sul Porto AlegreBrazil University of Turin TurinItaly Scarborough Health Network ScarboroughCanada Federal University of Piauí TeresinaBrazil Federal University of Goias GoianiaBrazil Fundacion Universitaria Cafam BogotaColombia University of Malaga MalagaSpain University of Brasília Ceil^andiaBrazil

本文报告了为创建护理知识网络(Nursing Knowledge Network,NKN)对不同国家护理院校进行环境扫描调查所收集到的信息。采用在线方式(2021年2-10月)进行环境扫描,探索研究领域的确定、现有资源、预期收益、教学研究创新、知识传播障碍及... 详细信息

本文报告了为创建护理知识网络(Nursing Knowledge Network,NKN)对不同国家护理院校进行环境扫描调查所收集到的信息。采用在线方式(2021年2-10月)进行环境扫描,探索研究领域的确定、现有资源、预期收益、教学研究创新、知识传播障碍及网络的预期贡献。目标信息提供者包括来自13个国家63所大学的200名护理教师。要求每所大学有1名参与者回答问卷。共有42所大学(约70%)回复,包括巴西21所,加拿大4所,葡萄牙和西班牙各3所,哥伦比亚、墨西哥、秘鲁和美国各2所,智利、意大利和巴拉圭各1所。其分享了相关信息和见解:通过护理高等教育机构之间的协作和交流,全球可以加强共同创新和研究合作能力;较少被研究的领域是知识网络生成证据、为当地科学实践提供信息的潜在重点。这些信息将为进一步了解护理发展,以及地方、区域和全球护理证据应用和传播相关的政府政策与计划制订提供参考。

关键词：信息网络创新扩散国际教育交流知识管理护理教育护理教师实践护理院校跨文化护理

Development of a Ready-to-Use PSMA-11 Kit Formulation and Biological Evaluation of Binding Affinity

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Advances in Molecular Imaging 2024年第2期13卷 7-22页

作者： maria Renata Valente Brandão Freire Natália Marchesan Bexiga Marco Antonio Stephano João Ezequiel Oliveira Carlos Roberto Jorge Soares Ana Cláudia Camargo Miranda Anna Carolina de Alcântara Barbosa Marycel Figols de Barboza Laura Fernanda garcia Luiz Felipe S. Teixeira maria Helena Marumo Bellini Natanael Gomes da silva Luiza Mascarenhas Balieiro Joel Mendes Elaine Bortoleti de Araújo Centro de Radiofarmcia Instituto de Pesquisas Energticas e Nucleares (IPEN) Cidade Universitria So Paulo Brasil Departamento de Tecnologia Farmacutica Faculdade de Cincias Farmacuticas (USP) Cidade Universitria So Paulo Brasil Centro de Biotecnologia Instituto de Pesquisas Energticas e Nucleares (IPEN) Cidade Universitria So Paulo Brasil Departamento de Medicina Nuclear do Hospital Israelita Albert Einstein So Paulo/SP Brasil

Introduction: 68Ga-PSMA-11 is considered the gold standard in detection of micro and oligometastases in advanced prostate cancer, being used for therapeutic planning, as well as, potentially, for evaluating response to treatment. The development of ready-to-use lyophilized kit of PSMA-11 adds quality and safety to the routine use of this radiopharmaceutical and represents a pharmacotechnical challenge as it must preserve the integrity and specificity of the ligand. Methods: PSMA-11 kit formulation was proposed, considering radiolabeling parameters and the preservation of the peptide during the lyophilization process, using mannitol as an excipient. Critical temperature characterization studies were carried out using DSC equipment and the freeze-drying process was developed. The direct radiolabeling conditions were evaluated and standardized using 68Ge/68Ga generator eluate from two different manufacturers (ITG and Eckert & Ziegler). The radiochemical purity was evaluated by TLC and HPLC. Biological evaluation was carried out with lyophilized PSMA-11 to demonstrate the integrity of the peptide and preservation of biological activity after the lyophilization process. Results: Based on critical temperature characterization studies, the freeze-drying cycle was designed to reach a freezing temperature of around −40˚C and primary drying at 2˚C. Using 20 mg of mannitol, an intact and elegant lyophilized cake was obtained. PSMA-11 lyophilized kit was directly labeled with 68Ga eluate from 68Ge/68Ga GMP generators (ITG and Eckert & Ziegler) resulting in % RP > 95% at pH 4.0 to 4.5. The results obtained from in vitro and in vivo biological competition studies confirmed the preservation of PSMA-11 affinity for the receptor after lyophilization. Conclusion: A lyophilized formulation (Kit) of PSMA-11 was successfully obtained, which preserved the integrity and biological activity of the peptide and guaranteed radiolabeling efficiency.

关键词： 68Ga-PSMA-11 Prostate-Specific Membrane Antigen (PSMA) Ready-to-Use Kit GMP-Grade Generators Metastatic Prostate Cancer PET Imaging

Analgesic effect of inhaled lavender essential oil for frenotomy in healthy neonates:a randomized clinical trial

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World Journal of Pediatrics 2022年第6期18卷 398-403页

作者： Silvia Maya-Enero Montserrat Fàbregas-Mitjans rosa maria Llufriu-Marquès Júlia Candel-Pau Jordi garcia-garcia MaríaÁngeles López-Vílchez Department of Neonatology Service of PediatricsHospital del MarParc de Salut MarUniversitat Pompeu FabraPasseig Marítim 25-2908003BarcelonaSpain

Background Neonatal pain may affect long-term neurodevelopment and must be *** is a painful procedure wherein a common strategy to relieve pain(sucking)cannot be used because the technique is performed on the *** essential oil(LEO)has sedative and antispasmodic properties and has been successfully used to treat pain during heel puncture and *** aim was to demonstrate if the use of inhaled LEO is effective in reducing pain during frenotomy in healthy,full-term *** We conducted a randomized clinical trial in neonates who underwent a frenotomy between August 2020 and April *** assessed pain using pre and post-procedure heart rate and oxygen saturation,crying time and Neonatal Infant Pain Scale(NIPS)*** with type 3 tongue tie were randomized into the“experimental group”and“control group”.In both groups,we performed swaddling,administered oral sucrose,and let the newborn suck for two *** the experimental group,we also placed a gauze pad with one drop of LEO under the neonate’s nose for two minutes prior to and during the *** We enrolled 142 patients(71 per group).The experimental group showed significantly lower NIPS scores(1.88 vs 2.92)and cried almost half the amount of time(14.8 vs.24.6 seconds,P=0.006).Comparing with the control group,we observed no side effects in either of the *** We observed a significant decrease in crying time and lower NIPS scores in the neonates who received inhaled LEO and underwent a frenotomy for type 3 ***,we recommend using inhaled LEO during neonatal frenotomies.

关键词： Ankyloglossia Aromatherapy Frenotomy Lavender Neonate Neonatal pain Tongue-tie

A Review on Genetically Modified Plants Designed to Phytoremediate Polluted Soils： Biochemical Responses and International Regulation

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Pedosphere 2018年第5期28卷 697-712页

作者： Edgar VAZQUEZ-NUNEZ Julian M. PENA-CASTRO Fabian FERNANDEZ-LUQUENO Eduardo CEJUDO maria G. de la rosa-ALVAREZ maria C. garcia-CASTANED Departamento de Ingenierias Quimica Electronica y Biomedica Division de Ciencias e Ingenierlas Universidad de Guanajuato (UG) Campus Leon Loma del Bosque 103 Leon Gto. 37150 (Mexico) Laboratorio de Biotecnologla Vegetal Instituto de Biotecnologia Universidad del Papaloapan Tuxtepec Oaxaca 68333 (Mexico) programa en Sustentabilidad de los Recursos Naturales y Eneryla Cinvestav Saltillo Industria Metalurgica 1062 Parque Industrial Saltillo-Ramos-Arizpe Ramos Arizpe Coahuila 25900 (Mexico) CONACYT Unidad de Ciencias del Agua (UCIA) Centro de Investigacion Cientifica de Yucatan A.C. Cancdn Quintana Roo 77500 (Mexico) Center for the Environmental Implications of Nanotechnology University of California at Los Angeles- University of Texas at El Paso 500 W University Ave El Paso 79968 (USA) CONACYT Universidad de Guanajuato Loma del Bosque 103 Leon Guanajuato 37150 (Mexico)

In recent years,there has been an increasing interest in finding sustainable strategies for the efficient removal of contaminants from *** objective of this review is to examine the biochemical principles of specific genetic modifications in plants,their applications in the field for specific contaminants as phytotechnologies,and their international *** addition,the review presents some biological aspects of rhizosphere-related phenomena,the interactions of organic and inorganic pollutants with plants,and the performance of the phytotechnologies across the *** the last few decades,at least eight genera of genetically modified plants(GMPs)have been tested and used for soil remediation with outstanding ***,Nicotiana,and Oryza are the plant genera most widely *** plant genes such as metal transporters,chelators,metallothioneins,phytochelatins,and oxygenases have been transferred to plants to improve the elimination of contaminants in *** discuss some important aspects of gene manipulation and its application for removal of diverse contaminants.A key challenge faced by phytotechnologies is the final disposal of the generated biomass,from a safety *** argue that the commercial success of phytotechnologies depends on the generation of valuable biomass on contaminated land and its use for bioenergy *** use of such technologies would promote a broader understanding of the importance of plants,especially GMPs,in the environment and their contribution to environmental sustainability.

关键词： bioenergy contaminants gene manipulation phytotechnology plant-microbe interaction regulatory policy soil pollu-tion soil remediation

Sagittal abdominal diameter as a marker of visceral obesity in older primary care patients

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Journal of Geriatric Cardiology 2020年第5期17卷 279-283页

作者： maria Auxiliadora Nogueira Saad Antonio José Lagoeiro Jorge Diane Xavier deávila Wolney de Andrade Martins Márcia maria Sales dos Santos Luciana Thurler Tedeschi Ismar Lima Cavalcanti maria Luiza garcia rosa Rubens Antunes da Cruz Filho Fluminense Federal University NiteróiRio de Janeiro StateBrazil

Background Longevity,combined with a higher prevalence of obesity,particularly visceral obesity,has been associated with an increased risk of cardiovascular *** resistance(IR)is an important link between visceral obesity and cardiovascular *** important association has been found between sagittal abdominal diameter,visceral obesity and *** objective of this study is to evaluate sagittal abdominal diameter as a marker of visceral obesity and correlate it with IR in older primary health care *** A cross-sectional study was performed with 389 patients over 60 years of age(70.6±6.9),of whom 74%were *** clinical,anthropometric and metabolic profiles were assessed and their fasting serum insulin level was used to calculate the homeostasis model assessment insulin resistance(HOMA-IR).Sagittal abdominal diameter was measured in the supine position at the midpoint between the iliac crest and the last rib with abdominal *** Sagittal abdominal diameter was significantly correlated with anthropometric measures of general and visceral obesity and with HOMA-IR in both *** was no change in the association between sagittal abdominal diameter and HOMA-IR after adjusting for age,sex,diabetes and *** It is feasible to use sagittal abdominal diameter in older primary care patients as a tool to evaluate visceral obesity,which is an indicator of cardiovascular risk.

关键词： Cardiovascular risk Insulin resistance Primary health care Sagittal abdominal diameter

Late Cryogenian-Ediacaran magmatism in southern Borborema Province,NE Brazil:Ages,sources,petrogenesis,and tectonic setting

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Geoscience Frontiers 2023年第6期14卷 70-101页

作者： Fábio Santos Pereira Herbet Conceição maria de Lourdes silva rosa Moacyr Moura Marinho Colombo Celso Gaeta Tassinari João Marinho Milhomem Neto Jean-Michel Lafon Programa de Pós-Graduação em Geologia e Geoquímica(PPGG) Instituto de GeociênciasUniversidade Federal do Pará(UFPA)66075-110 BelémParáBrazil Programa de Pós-Graduação em Geociências e Análise de Bacias(PGAB) Universidade Federal de Sergipe(UFS)49100-000 São CristóvãoSergipeBrazil Instituto de Geociências Universidade Federal da Bahia(UFBA)40170-290 SalvadorBahiaBrazil Instituto de Geociências Universidade de São Paulo(USP)05508-900 São PauloBrazil Laboratório de Geologia Isotópica(Pará-Iso) IG-UFPA66075-110 BelémParáBrazil

The Sergipano Orogenic System(SOS)in southern Borborema Province(NE Brazil)hosts voluminous Neoproterozoic plutonism related to the Brasiliano/Pan-African *** paper presents comprehensive whole-rock geochemical data,titanite U-Pb ages,and the first combined zircon U-Pb and Lu-Hf isotope results for plutonic rocks from the MacururéDomain to constrain their sources,petrogenesis,and tectonic *** magmatic episodes are recognized and record the evolutionary stages of the orogen.(i)Early-collisional magmatism(643–628 Ma)comprises gabbros and diorites with minor tonalites characterized by well-developed tectonic foliation and evidence of solid-state *** rocks are magnesian,high-K calc-alkaline,LILE-and LREE-enriched and provide subchondriticε_(Hf)(t)values(6.5 to4.7)and Orosirian Hf-T^(C)_(DM)model ages(1.83–1.94 Ga).Such features indicate derivation from a lithospheric mantle source metasomatized by incorporating crustal components through subduction processes prior to magma generation,possibly related to the Rhyacian Orogeny(2.20–1.96 Ga).Extensive mixing/mingling between basaltic and crust-derived magmas took place at lower crustal depths,producing coeval hybrid diorites and quartz-diorites.(ii)Syn-collisional magmatism(630–624 Ma)encompasses biotite-and muscovite-bearing granodiorites and monzogranites,preserving their structures parallel to the schistosity of the country *** rocks are leucocratic,weakly metaluminous to peraluminous,and contain abundant surmicaceous *** features and geochemical composition suggest an origin related to the partial melting of graywacke protoliths with a subordinate igneous component.(iii)Late-collisional magmatism(625–600 Ma)includes undeformed and isotropic monzonites and granodiorites,which truncate the regional *** rocks are consistently metaluminous and magnesian,showing affinities with the high-K calc-alkaline to shoshonite *** element modeling with su

关键词： Brasiliano/Pan-African Orogeny Western Gondwana Zircon and titanite U-Pb dating Hf isotope data Magma source