1,272 results on '"Leitão A"'
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2. Synthesis and Functionalities of Blade-Coated Nanographite Films
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Paloma E. S. Pellegrini, Luana de Moraes Leitão Gonçalves Vaz, Silvia Vaz Guerra Nista, Hugo Enrique Hernández-Figueroa, and Stanislav Moshkalev
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nanographite film ,blade coating ,electric properties ,optical properties ,nanographite spectroscopy ,Physics ,QC1-999 ,Microscopy ,QH201-278.5 ,Microbiology ,QR1-502 ,Chemistry ,QD1-999 - Abstract
The manufacturing and characterization of nanographite films on substrates form the foundation for advances in materials science. Conductive graphite films are challenging products, as isolating graphite oxide is often necessary. In this study, nanographite suspensions containing non-oxidized graphite flakes were used to fabricate novel thin and ultrathin films via blade coating on industry-standard substrates. Films as thin as 346 nm were successfully fabricated. Moreover, it was possible to induce the orientation of the graphite nanoflakes via blade coating. This orientation led to electrical anisotropy; thus, the electrical behavior of the films in each orthogonal direction differed. After adjusting the coating parameters and the concentration of the nanographite flakes, the electrical conductivity ranged from 0.04 S/cm to 0.33 S/cm. In addition, with such adjustments, the transparency of the films in the visible range varied from 20% to 75%. By establishing a methodology for the tuning of both electrical and optical properties via adjustments in the nanographite suspension and coating parameters, we can fabricate resistant, conductive, and transparent films satisfying certain requirements. The results presented here can be extrapolated to enhance applications, especially for photonics and solar cells, in fields that require electrical conductive materials with high levels of transparency.
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- 2024
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3. Effects of Physically Adsorbed and Chemically Immobilized RGD on Cell Adhesion to a Hydroxyapatite Surface
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Melissa Leitão, Elena Mavropoulos, Marcia Soares Sader, Andrea Costa, Elvis Lopez, Giselle Nogueira Fontes, José Mauro Granjeiro, Tea Romasco, Natalia Di Pietro, Adriano Piattelli, Carlos Fernando Mourão, Gutemberg Gomes Alves, and Alexandre Malta Rossi
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arginylglycylaspartic acid ,immobilization ,surface functionalization ,hydroxyapatite ,APTES ,FBS ,Technology ,Engineering (General). Civil engineering (General) ,TA1-2040 ,Biology (General) ,QH301-705.5 ,Physics ,QC1-999 ,Chemistry ,QD1-999 - Abstract
The strategies used to associate peptide arginylglycylaspartic acid (RGD) with calcium phosphate grafts to enhance cell–biomaterial interactions have been controversial in the literature. Several works have demonstrated that RGD-functionalized hydroxyapatite (HA) surfaces improve cell adhesion, whereas others claim that RGD-loaded HA has an inhibitory effect when serum is present in the biological medium. To investigate such contradictory results, we associated RGD with the HA surface using physical adsorption and chemical bonding methods and evaluated the cell adhesion and spreading in pre-osteoblasts culture with and without fetal bovine serum (FBS). The effect of functionalization methods on the physicochemical characteristics of both surfaces was analyzed using multiscale techniques. Adsorption assays of serum allowed us to estimate the impact of the association method on the HA surface’s reactivity. Physically adsorbed RGD did not increase the number of adhered cells due to the weak interactions between the peptide and the surface. Although chemical binding stabilizes RGD on the HA, the functionalization procedure covered the surface with molecules such as (3-aminopropyl)triethoxysilane (APTEs) and carbodiimide, changing the surface’s chemical activity. Serum protein adsorption decreased by 90%, revealing a significant reduction in the surface interactions with molecules of the biological medium. The present study’s findings showed that the RGD’s physical association with HA did not improve cell adhesion and that this phenomenon is highly dependent on the presence of serum proteins.
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- 2024
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4. The Effect of Ascorbic Acid on Hepatic Ischaemia–Reperfusion Injury in Wistar Rats: An Experimental Study
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Jorge Luiz Saraiva Ximenes, Joel Avancini Rocha-Filho, Flavio Henrique Ferreira Galvão, Cinthia Lanchotte, Marcia Saldanha Kubrusly, Regina Maria Cubero Leitão, Jose Jukemura, Agustin Vintimilla Moscoso, Emilio Elias Abdo, Luiz Augusto Carneiro D’Albuquerque, and Estela Regina Ramos Figueira
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ischaemia ,reperfusion ,ascorbic acid ,liver ,experimental ,Biology (General) ,QH301-705.5 ,Chemistry ,QD1-999 - Abstract
Liver ischaemia–reperfusion (IR) during hepatic surgeries can lead to liver cell death via oxidative stress and the activation of immune cells, the release of cytokines, and damage-associated molecular patterns. Ascorbic acid has been shown to confer potential protective effects against IR injury, mainly due to its antioxidant properties. This study evaluated the effect of ascorbic acid infusion at different time points during hepatic IR in rats. Thirty-six male Wistar rats were divided into control and experimental groups that received the same total ascorbic acid dose at three different infusion times: before ischaemia, before reperfusion, or before both ischaemia and reperfusion. All of the animals experienced hepatic IR injury. We measured the hepatic enzymes, cytokines, and portal blood flow. Animals receiving ascorbic acid before both ischaemia and reperfusion had lower liver enzyme levels, reduced inflammation, and better portal venous flow than other animals. Divided doses of ascorbic acid before IR may be beneficial for reducing liver injury associated with IR.
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- 2024
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5. EFEITOS DAS MÚLTIPLAS ESTRUTURAS E DA ANARMONICIDADE TORCIONAL PARA AS REAÇÕES DE ABSTRAÇÃO DE HIDROGÊNIO NO BUTANOATO DE METILA PELO RADICAL H
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Joel Leitão Nascimento and Tiago Vinicius Alves
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methyl butanoate ,transition state ,torsional anharmonicity ,Chemistry ,QD1-999 - Abstract
EFFECTS OF MULTIPLE STRUCTURES AND TORSIONAL ANHARMONICITY FOR THE HYDROGEN ABSTRACTION REACTIONS OF THE THMETHYL BUTANOATE BY H RADICAL. Thermal rate constants for the hydrogen abstraction reactions of the methyl butanoate (MB) by H radical were estimated by applying the multistructural canonical variational theory with small-curvature tunneling (CVT/SCT). The conformational search was performed at MPWB1K/6-31+G(d,p) level of theory and 68 distinguishable conformers for MB and transition state located. The multistructural and torsional anharmonicity effects were corrected through the rovibrational partition functions calculated with the multistructural method based on a coupled torsional potential, MS-T(C). The MS-CVT/SCT thermal rate constants are shown in good concordance with previous combustion models. After fitting the rate constants in a four-parameters equation, the activation energy showed a temperature dependence. The product branching ratios indicate a preference for (Rα) until 500 K. Above this temperature, the contribution of other reactions becomes relevant, especially for (Rβ).
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- 2023
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6. Contemporary Strategies for the Structural Design of Multi-Story Modular Timber Buildings: A Comprehensive Review
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Marina Tenório, Rui Ferreira, Victor Belafonte, Filipe Sousa, Cláudio Meireis, Mafalda Fontes, Inês Vale, André Gomes, Rita Alves, Sandra M. Silva, Dinis Leitão, André Fontes, Carlos Maia, Aires Camões, and Jorge M. Branco
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timber buildings ,modular construction ,timber structures ,prefabrication ,modularity ,joining techniques ,Technology ,Engineering (General). Civil engineering (General) ,TA1-2040 ,Biology (General) ,QH301-705.5 ,Physics ,QC1-999 ,Chemistry ,QD1-999 - Abstract
Modular timber construction embodies a pioneering and eco-friendly methodology within the building sector. With the notable progress made in manufacturing technologies and the advent of engineered wood products, timber has evolved into a promising substitute for conventional materials such as concrete, masonry, and steel. Beyond its structural attributes, timber brings environmental advantages, including its inherent capacity for carbon sequestration and a reduced carbon footprint compared to conventional materials. Timber’s lightweight nature, coupled with its versatility and efficiency in factory-based production, accelerates modular construction processes, providing a sustainable solution to the growing demands of the building industry. This work thoroughly explores contemporary modular construction using wood as the primary material. The investigation spans various aspects, from the fundamentals of modularity and the classification of modular timber solutions to considerations of layout design, structural systems, and stability at both the building and module levels. Moreover, inter-module joining techniques, MEP (mechanical, electrical, and plumbing) integration, and designs for disassembly are scrutinized. The investigation led to the conclusion that timber modular construction, drawing inspiration from the steel modular concept, consistently utilizes a structural approach based on linear members (timber frame, post-and-beam, etc.), incorporating stability configurations and diverse joint techniques. Despite the emphasis on modularization and prefabrication for adaptability, a significant portion of solutions still concentrate on the on-site linear assembly process of those linear members. Regarding modularity trends, the initial prevalence of 2D and 3D systems has given way to a recent surge in the utilization of post-and-beam structures, congruent with the ascending verticality of buildings. In contrast to avant-garde and bold trends, timber structures typically manifest as rectilinear, symmetric plans, characterized by regular and repetitive extrusions, demonstrating a proclivity for centrally located cores. This work aims to offer valuable insights into the current utilization of modular timber construction while identifying pivotal gaps for exploration. The delineation of these unexplored areas seeks to enable the advancement of modular timber projects and systems, fully leveraging the benefits provided by prefabrication and modularity.
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- 2024
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7. Combined Toxicity of Methylparaben and Propylparaben in Artemia salina and Allium cepa Applying Experimental Design
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Estela Moraes Nolasco, João Vitor dos Santos da Silva, João Vitor Vieira de Paula, Fábio Luciano Caldas da Silva, Maicon Matos Leitão, Alessandra Silveira Antunes Araújo, Andreia de Oliveira Massulo, Amilcar Machulek Jr., and LUCAS DE MELO DA SILVA
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Parabens ,Artemia salina ,Allium cepa ,acute toxicity ,experimental design ,Science ,Chemistry ,QD1-999 - Abstract
Parabens are used as preservatives in sanitizers and cosmetic products causing environmental concern, because presented potential as endocrine disrupters. Among these compounds, the most used are methylparaben and propylparaben. Thus, a study was proposed to evaluate the interaction between different concentrations (mmol L-1) of the variables methylparaben [MP] and propylparaben [PP], against the acute toxicity of the microcrustacean Artemia salina (A. salina) and Allium cepa (A. cepa) applying the 22 factorial design with an added center point. Responses were used: percent A. salina mortality (% mortality), A. cepa root growth inhibition (% root inhibition) and mitotic index (%MI). For A. salina, after 72 hours of exposure with the combination of concentration ([MP] and [PP] = 0.8 mmol L−1) caused an 80% mortality. While, A. cepa a high cytotoxicity was observed with the mixture of Parabens, exhibiting 72.3% root growth inhibition at [MP] = 1.2 mmol L-1 with [PP] = 1.2 mmol L-1. In contrast, for response %MI at [MP] = 0.3 mmol L-1 with [PP] = 0.3 mmol L-1, 2.5 %MI with 36% inhibition. In this context, parabens demonstrated high toxicity for A. salina and cytotoxicity for A. cepa, based on the interaction with the effect of the concentrations.
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- 2023
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8. Neuromuscular Assessment of a Stand-Up Paddle Stroke
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João Freitas, Ana Conceição, Jan Šťastný, Hugo Louro, Luís Leitão, Diana Torres, Daniel A. Marinho, and Henrique P. Neiva
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SUP ,paddle sports ,muscular activation ,EMG ,stroke phases ,Technology ,Engineering (General). Civil engineering (General) ,TA1-2040 ,Biology (General) ,QH301-705.5 ,Physics ,QC1-999 ,Chemistry ,QD1-999 - Abstract
This study analyzed muscle activity during the stand-up paddle stroke, considering the paddling side and the adjacent and opposing muscles relative to the position of the arms during paddling. Methods: Fourteen male paddleboarders performed three trials covering 195 m in which surface electromyography of the upper trapezius, biceps brachii, triceps brachii, tibialis anterior, and gastrocnemius medialis were recorded (four-cycle strokes on each side). The data were processed according to percentage of maximum voluntary contraction (% MVC). The MVC activation values (µV) for each muscle were then calculated and presented as percentage MVC (% MVC). Results: The recovery phase accounted for 60% of the paddle cycle, while the pull phase represented 39%. During right-side paddling, higher % MVC was found in the opposite-side upper trapezius (24.35%, p < 0.01) during the pulling phase and in the adjacent biceps brachii (8.36%, p < 0.03) during the recovery phase. In left-side paddling, greater % MVC was found in the opposite-side upper trapezius (27.60%, p < 0.01) during the pulling phase and in the opposite-side triceps brachii (42.25%, p < 0.04) during the recovery phase. Furthermore, the pulling phase exhibited higher MVC in the opposite-side upper trapezius compared to the recovery phase, both in the right-side (24.35%, p < 0.03) and left-side (27.60%, p < 0.01) paddling. Conclusions: these findings help establish the muscular activity of both sides of the paddling technique and the differences between the upper and lower limbs.
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- 2023
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9. RNA Regulatory Networks 2.0
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Francisco J. Enguita, Ana Lúcia Leitão, and John S. Mattick
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n/a ,Biology (General) ,QH301-705.5 ,Chemistry ,QD1-999 - Abstract
The central role of RNA molecules in cell biology has been an expanding subject of study since the proposal of the “RNA world” hypothesis 60 years ago [...]
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- 2023
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10. Clinical Validation of a Size-Based Microfluidic Device for Circulating Tumor Cell Isolation and Analysis in Renal Cell Carcinoma
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Tito Palmela Leitão, Patrícia Corredeira, Sandra Kucharczak, Margarida Rodrigues, Paulina Piairo, Carolina Rodrigues, Patrícia Alves, Ana Martins Cavaco, Miguel Miranda, Marília Antunes, João Ferreira, José Palma Reis, Tomé Lopes, Lorena Diéguez, and Luís Costa
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circulating tumor cell ,kidney cancer ,liquid biopsy ,microfluidic ,renal cell carcinoma ,Biology (General) ,QH301-705.5 ,Chemistry ,QD1-999 - Abstract
Renal cell carcinoma (RCC) presents as metastatic disease in one third of cases. Research on circulating tumor cells (CTCs) and liquid biopsies is improving the understanding of RCC biology and metastases formation. However, a standardized, sensitive, specific, and cost-effective CTC detection technique is lacking. The use of platforms solely relying on epithelial markers is inappropriate in RCC due to the frequent epithelial-mesenchymal transition that CTCs undergo. This study aimed to test and clinically validate RUBYchip™, a microfluidic label-free CTC detection platform, in RCC patients. The average CTC capture efficiency of the device was 74.9% in spiking experiments using three different RCC cell lines. Clinical validation was performed in a cohort of 18 patients, eight non-metastatic (M0), five metastatic treatment-naïve (M1TN), and five metastatic progressing-under-treatment (M1TP). An average CTC detection rate of 77.8% was found and the average (range) total CTC count was 6.4 (0–27), 101.8 (0–255), and 3.2 (0–10), and the average mesenchymal CTC count (both single and clustered cells) was zero, 97.6 (0–255), and 0.2 (0–1) for M0, M1TN, and M1TP, respectively. CTC clusters were detected in 25% and 60% of M0 and M1TN patients, respectively. These results show that RUBYchip™ is an effective CTC detection platform in RCC.
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- 2023
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11. Leveraging Causal Reasoning in Educational Data Mining: An Analysis of Brazilian Secondary Education
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Rogério Luiz Cardoso Silva Filho, Kellyton Brito, and Paulo Jorge Leitão Adeodato
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educational data mining ,educational assessment ,causality ,ENEM ,Technology ,Engineering (General). Civil engineering (General) ,TA1-2040 ,Biology (General) ,QH301-705.5 ,Physics ,QC1-999 ,Chemistry ,QD1-999 - Abstract
This study presents an approach to investigating the main interventions related to gains on performance using a combination of educational data mining (EDM) techniques and traditional theory-driven models. The goal is to overcome the limitation of previous EDM studies that lack of causal reasoning, which is a critical concern for educational specialists. We use large-scale assessment data from Brazil and map the main sources of unobserved confounders using causal graphs. We then use a two-way logistic regression fixed effects to account for these confounding factors. The model is evaluated for its predictive ability and further investigated through classification rules and decision trees, resulting in the proposition of new insights into the data. The findings of the study underline the importance of socio-economic factors and showcase the significant impact of faculty education policies as well as the vital role of Brazilian states in these policies.
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- 2023
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12. NOVEL ULTRAVIOLET ABSORBERS DERIVED FROM CASHEW NUT SHELL LIQUID: SPECTROPHOTOMETRIC, IN SILICO AND IN VITRO ASSAYS
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Emeli Moura de Araújo, Luiz Antônio Soares Romeiro, Ana Paula Rodrigues, Priscilla Souza Alves, Viviane Cândida da Silva, Lúcio Paulo Lima Logrado, Maria Lucília dos Santos, Maria Márcia Murta, Álvaro Augusto da Costa Leitão, Sheila Garcia, and Gisela Maria Dellamora-Ortiz
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ultraviolet absorbers ,cashew nut ,spf ,spectrophotometry ,Biotechnology ,TP248.13-248.65 ,Chemistry ,QD1-999 - Abstract
The cashew nut shell liquid (CNSL) constituents were isolated by our group leading to four mixtures and seventeen pure compounds, which had chromophoric groups similar to organic ultraviolet (UV) absorbers. In addition, C15 and C8 CNSL-derivatives molecules were rationally planned as UV absorbers. Mixtures and isolated CNSL compounds were demonstrated to be non-phototoxic when evaluated in a phototoxicity assay using the yeast Saccharomyces cerevisiae. Considering the absorption values on the UV range, 6 compounds showed appropriate SPF values regarding the spectrophotometric test. Additionally, in silico and in vitro evaluations were performed, showing non-oral bioavailability, as well as non-mutagenic, non-genotoxic and non-phototoxic properties for the tested compounds. These results contribute favorably to the aimed use of the compounds under analysis as novel organic UV absorbers that have as precursor the phenolic lipid component of CNSL, a waste product obtained as the by-product of cashew nut food processing.
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- 2020
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13. Technical–Economic Assessment—The Missing Piece for Increasing the Attractiveness of Applied Biocatalysis in Ester Syntheses?
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Ronaldo Rodrigues de Sousa, Rui de Paula Vieira de Castro, Nadinne Medeiros Assis, Ayla Sant’Ana da Silva, Denise Maria Guimarães Freire, Roberto Fernandez-Lafuente, and Viridiana Santana Ferreira-Leitão
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biocatalysis ,esters ,economic assessment ,Chemical technology ,TP1-1185 ,Chemistry ,QD1-999 - Abstract
Although the current literature describes significant advances in biocatalytic ester syntheses, few industrial plants worldwide are currently producing esters using biocatalysts. Green and sustainable esters can be obtained via a biocatalytic route, including some operational advantages over conventional syntheses. An analysis of the literature revealed that most articles neglect or describe the economic issues generically, without quantitative information. Scaling-up studies are also scarce in this field. The main disadvantage of biocatalysis using immobilized lipases—their cost—has not been studied at the same level of depth as other technical aspects. This gap in the literature is less intense in enzymatic biodiesel production studies and, despite the lack of a strict correlation, enzymatic biodiesel commercial plants are relatively more common. Preliminary techno-economic assessments are crucial to identify and circumvent the economic drawbacks of biocatalytic ester syntheses, opening the way to broader application of this technology in a large-scale context.
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- 2023
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14. Synthesis of Carvone Derivatives and In Silico and In Vitro Screening of Anti-Inflammatory Activity in Murine Macrophages
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Gabriela Moço, Cátia Sousa, Ana Capitão, Stephen Scott MacKinnon, Alcino Jorge Leitão, and Alexandrina Ferreira Mendes
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chronic inflammation ,carvone ,chemical synthesis ,anti-inflammatory activity ,8- and/or 9-substituted carvone derivatives ,Biology (General) ,QH301-705.5 ,Chemistry ,QD1-999 - Abstract
The chemical modification of natural compounds is a promising strategy to improve their frequently poor bioavailability and low potency. This study aimed at synthesizing chemical derivatives of carvone, a natural monoterpene with anti-inflammatory properties, which we recently identified, and evaluating their potential anti-inflammatory activity. Fourteen chemical derivatives of carvone were synthesized, purified and their chemical structures confirmed. Noncytotoxic concentrations of the test compounds were selected based on the resazurin reduction assay. Among the tested compounds, four significantly reduced the lipopolysaccharides-induced protein levels of the inducible isoform of the nitric oxide synthase and nitric oxide production and showed a dual effect on pro-IL-1 protein levels in the Raw 264.7 cell line. The Ligand Express drug discovery platform was used to predict the targets of the test compounds, and an enrichment analysis was performed to group the different biological processes and molecular and cellular functions of the tested compounds. Moreover, Ligand Express also predicted that all chemicals evaluated have intestinal and blood–brain barrier permeability, do not inhibit P-gp and do not interact with major receptors. Although presenting anti-inflammatory and some advantageous ADME properties, the tested compounds still have low potency and specificity but may provide novel structures the further chemical modification of which may yield more promising drugs.
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- 2023
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15. Comparison of Virulence-Factor-Encoding Genes and Genotype Distribution amongst Clinical Pseudomonas aeruginosa Strains
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Tomasz Bogiel, Dagmara Depka, Stanisław Kruszewski, Adrianna Rutkowska, Piotr Kanarek, Mateusz Rzepka, Jorge H. Leitão, Aleksander Deptuła, and Eugenia Gospodarek-Komkowska
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multiple-antibiotic resistance ,Pseudomonas aeruginosa virulence genes ,virulence-factor-encoding genes ,virulence gene genotyping ,Pseudomonas aeruginosa clinical isolates ,antibiotic resistance profiles ,Biology (General) ,QH301-705.5 ,Chemistry ,QD1-999 - Abstract
Pseudomonas aeruginosa is an opportunistic pathogen encoding several virulence factors in its genome, which is well-known for its ability to cause severe and life-threatening infections, particularly among cystic fibrosis patients. The organism is also a major cause of nosocomial infections, mainly affecting patients with immune deficiencies and burn wounds, ventilator-assisted patients, and patients affected by other malignancies. The extensively reported emergence of multidrug-resistant (MDR) P. aeruginosa strains poses additional challenges to the management of infections. The aim of this study was to compare the incidence rates of selected virulence-factor-encoding genes and the genotype distribution amongst clinical multidrug-sensitive (MDS) and MDR P. aeruginosa strains. The study involved 74 MDS and 57 MDR P. aeruginosa strains and the following virulence-factor-encoding genes: lasB, plC H, plC N, exoU, nan1, pilA, and pilB. The genotype distribution, with respect to the antimicrobial susceptibility profiles of the strains, was also analyzed. The lasB and plC N genes were present amongst several P. aeruginosa strains, including all the MDR P. aeruginosa, suggesting that their presence might be used as a marker for diagnostic purposes. A wide variety of genotype distributions were observed among the investigated isolates, with the MDS and MDR strains exhibiting, respectively, 18 and 9 distinct profiles. A higher prevalence of genes determining the virulence factors in the MDR strains was observed in this study, but more research is needed on the prevalence and expression levels of these genes in additional MDR strains.
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- 2023
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16. Plasma-Assisted Nanofabrication: The Potential and Challenges in Atomic Layer Deposition and Etching
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William Chiappim, Benedito Botan Neto, Michaela Shiotani, Júlia Karnopp, Luan Gonçalves, João Pedro Chaves, Argemiro da Silva Sobrinho, Joaquim Pratas Leitão, Mariana Fraga, and Rodrigo Pessoa
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plasma-enhanced atomic layer deposition ,plasma-assisted atomic layer deposition ,radical-enhanced atomic layer deposition ,plasma-atomic layer etching ,ALD ,non-thermal plasma ,Chemistry ,QD1-999 - Abstract
The growing need for increasingly miniaturized devices has placed high importance and demands on nanofabrication technologies with high-quality, low temperatures, and low-cost techniques. In the past few years, the development and recent advances in atomic layer deposition (ALD) processes boosted interest in their use in advanced electronic and nano/microelectromechanical systems (NEMS/MEMS) device manufacturing. In this context, non-thermal plasma (NTP) technology has been highlighted because it allowed the ALD technique to expand its process window and the fabrication of several nanomaterials at reduced temperatures, allowing thermosensitive substrates to be covered with good formability and uniformity. In this review article, we comprehensively describe how the NTP changed the ALD universe and expanded it in device fabrication for different applications. We also present an overview of the efforts and developed strategies to gather the NTP and ALD technologies with the consecutive formation of plasma-assisted ALD (PA-ALD) technique, which has been successfully applied in nanofabrication and surface modification. The advantages and limitations currently faced by this technique are presented and discussed. We conclude this review by showing the atomic layer etching (ALE) technique, another development of NTP and ALD junction that has gained more and more attention by allowing significant advancements in plasma-assisted nanofabrication.
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- 2022
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17. Exploring the Effect of Hierarchical Porosity in BEA Zeolite in Friedel-Crafts Acylation of Furan and Benzofuran
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Nelson Nunes, Ana P. Carvalho, Ruben Elvas-Leitão, Filomena Martins, Auguste Fernandes, João Rocha, and Angela Martins
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hierarchical BEA ,Friedel-Crafts acylation ,furan ,benzofuran ,kinetic modelling ,QSPR analysis ,Chemical technology ,TP1-1185 ,Chemistry ,QD1-999 - Abstract
Hierarchical BEA zeolite was prepared through desilication or desilication followed by acid treatment. The catalytic performance of BEA zeolite samples was evaluated using Friedel-Crafts acylations with two substrates of different molecular sizes, furan (5.7 Å) and benzofuran (6.9 Å), in the presence of acetic anhydride as acylating agent. The application of the simplified Langmuir-Hinshelwood kinetic model showed that the size of the substrate leads to different catalytic activities, with improved rate constant and turnover frequency (TOF) solely in the presence of benzofuran for both desilicated and further acid treated samples. The mesopores developed during the zeolite treatments have an important role as transportation channels by reducing diffusion limitations. The application of Quantitative Structure–Property Relationships (QSPR) allowed the finding of the most relevant properties of the zeolite and substrate with impact on the catalytic parameters.
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- 2022
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18. Broad Spectrum Functional Activity of Structurally Related Monoanionic Au(III) Bis(Dithiolene) Complexes
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Yann Le Gal, Agathe Filatre-Furcate, Dominique Lorcy, Olivier Jeannin, Thierry Roisnel, Vincent Dorcet, Diana Fontinha, Denise Francisco, Miguel Prudncio, Marta Martins, Catarina Soeiro, Sílvia A. Sousa, Jorge H. Leitão, Tnia S. Morais, Ins Bártolo, Nuno Taveira, Joana F. Guerreiro, and Fernanda Marques
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gold bis(dithiolene) complexes ,diselenolene ,structural modification ,anticancer activity ,antimicrobial activity ,HSA interaction ,Biology (General) ,QH301-705.5 ,Chemistry ,QD1-999 - Abstract
The biological properties of sixteen structurally related monoanionic gold (III) bis(dithiolene/ diselenolene) complexes were evaluated. The complexes differ in the nature of the heteroatom connected to the gold atom (AuS for dithiolene, AuSe for diselenolene), the substituent on the nitrogen atom of the thiazoline ring (Me, Et, Pr, iPr and Bu), the nature of the exocyclic atom or group of atoms (O, S, Se, C(CN)2) and the counter-ion (Ph4P+ or Et4N+). The anticancer and antimicrobial activities of all the complexes were investigated, while the anti-HIV activity was evaluated only for selected complexes. Most complexes showed relevant anticancer activities against Cisplatin-sensitive and Cisplatin-resistant ovarian cancer cells A2780 and OVCAR8, respectively. After 48 h of incubation, the IC50 values ranged from 0.1–8 μM (A2780) and 0.8–29 μM (OVCAR8). The complexes with the Ph4P+ ([P]) counter-ion are in general more active than their Et4N+ ([N]) analogues, presenting IC50 values in the same order of magnitude or even lower than Auranofin. Studies in the zebrafish embryo model further showed that, despite their marked anticancer effect, the complexes with [P] counter-ion exhibited low in vivo toxicity. In general, the exocyclic exchange of sulfur by oxygen or ylidenemalononitrile (C(CN)2) enhanced the compounds toxicity. Most complexes containing the [P] counter ion exhibited exceptional antiplasmodial activity against the Plasmodium berghei parasite liver stages, with submicromolar IC50 values ranging from 400–700 nM. In contrast, antibacterial/fungi activities were highest for most complexes with the [N] counter-ion. Auranofin and two selected complexes [P][AuSBu(=S)] and [P][AuSEt(=S)] did not present anti-HIV activity in TZM-bl cells. Mechanistic studies for selected complexes support the idea that thioredoxin reductase, but not DNA, is a possible target for some of these complexes. The complexes [P] [AuSBu(=S)], [P] [AuSEt(=S)], [P] [AuSEt(=Se)] and [P] [AuSeiPr(=S)] displayed a strong quenching of the fluorescence intensity of human serum albumin (HSA), which indicates a strong interaction with this protein. Overall, the results highlight the promising biological activities of these complexes, warranting their further evaluation as future drug candidates with clinical applicability.
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- 2022
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19. Zn Nutrition of Vitis vinifera White Grapes: Characterization of Antagonistic and Synergistic Interactions by µEDXRF Tissue Analyses
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Diana Daccak, Cláudia Campos Pessoa, Inês Carmo Luís, Ana Coelho Marques, Ana Rita F. Coelho, José C. Ramalho, José N. Semedo, Mauro Guerra, Roberta G. Leitão, Paula Scotti Campos, Isabel P. Pais, Maria Manuela Silva, Fernando H. Reboredo, Manuela Simões, Maria Fernanda Pessoa, Paulo Legoinha, and Fernando C. Lidon
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antagonism ,grapes ,synergism ,Vitis vinifera ,Zn fertilizer ,Chemistry ,QD1-999 - Abstract
Nutritional status performs an essential role in agriculture, affecting productivity and keeping crops functioning properly. Despite being required in smaller amounts, micronutrients are also needed for adequate growth, namely Zn (zinc) with regulatory, catalytic and structural functions. Fertilization with Zn is used to ameliorate the deficits of this micronutrient in more susceptible crops, such as grapes. Yet, the management of this application must consider the antagonistic and synergistic interactions among nutrients, as it affects their uptake and translocation rates. Therefore, a workflow with three ZnO foliar applications (30% and 60%, 450 and 900 g ha−1, respectively) in the variety Vitis vinifera cv. Fernão Pires, was implemented in a field located in Palmela, Portugal. The concentration of Zn in the tissues was therefore evaluated by microenergy X-ray dispersion fluorescence (µEDXRF), showing an increase of 1.82 and 2.54 times in the seed and flesh of grapes fertilized with a concentration of 60% compared to control grapes, respectively. Using the same method, a synergistic relationship was observed for macronutrients, such as Ca and K, and micronutrients, such as Fe, P and Mn. In addition, a complementary analysis of grapes’ density was carried out to verify changes in quality, in which no negative impact was observed due to Zn application. This study allows us to verify that the concentration of the applied Zn fertilizer brings benefits in the amount of nutrients that are important for development and crops quality.
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- 2022
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20. A Case Study on Minerals Accumulation in Grains and Flours of Bread Wheat Fertilized with ZnSO4 and Tecnifol Zinc
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Inês Carmo Luís, Diana Daccak, Ana Coelho Marques, Ana Rita F. Coelho, Cláudia Campos Pessoa, Manuel Patanita, José Dôres, Ana Sofia Almeida, Maria Manuela Silva, Maria Fernanda Pessoa, Fernando H. Reboredo, Manuela Simões, Paulo Legoinha, Ana Sofia Bagulho, José Moreira, Isabel P. Pais, Paula Scotti Campos, José C. Ramalho, Roberta G. Leitão, Mauro Guerra, and Fernando C. Lidon
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bread wheat grains ,foliar fertilization ,mineral quantification ,refined bread wheat flour ,whole bread wheat flour ,Chemistry ,QD1-999 - Abstract
In the present day, there is an increasing demand for foods capable of fulfilling the nutritional needs of consumers, leading to a search for food products with a nutrient content able to promote a healthier lifestyle. In this study, an agronomic biofortification itinerary of Triticum aestivum L. (cv. Paiva) was conducted in an experimental field, located in Beja, Portugal, comprising foliar fertilization with ZnSO4 and Tecnifol Zinc in three different concentrations for each fertilizer along the plant cycle. The mineral quantification (S, K, Ca, and Zn) of whole bread wheat flour and refined bread wheat flour was measured using an X-ray fluorescence analyzer (XRF analyzer), whereas the micro-energy dispersive X-ray fluorescence system (μ-EDXRF) was used to quantify the minerals within the different regions of the wheat grain (embryo, endosperm, and vascular bundle). All the minerals presented lower values in the refined flour relative to the whole bread wheat flour, in which K had higher values followed by S and finally Ca with the lower values in both types of flour. The different minerals were spread around the various regions of the grain; however, they were more concentrated in the embryo and vascular bundle. The values are similar for both fertilizers, with a slight difference regarding Zn values, namely increasing with ZnSO4. To sum up, as the different minerals tend to accumulate in the embryo and vascular bundle, the whole bread wheat flour presents the richest option, promoting a healthier diet for consumers.
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- 2022
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21. N‑Heterocyclic Carbenes Derived from Guanosine: Synthesis and Evidences of Their Antiproliferative Activity
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Maria Inês P. S. Leitão, Federico Herrera, and Ana Petronilho
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Chemistry ,QD1-999 - Published
- 2018
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22. Temporal order of clinical and biomarker changes in familial frontotemporal dementia
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Staffaroni, Adam M, Quintana, Melanie, Heller, Carolin, Boeve, Bradley F, Rosen, Howard J, Rohrer, Jonathan D, Boxer, Adam L, Initiative, Frontotemporal Dementia Prevention, Apostolova, Liana, Barmada, Sami, Boeve, Bradley, Bozoki, Andrea, Clark, Annie L, Clark, David, Coppola, Giovanni, Darby, Ryan, Dickson, Dennis, Faber, Kelley, Fagan, Anne, Galasko, Douglas R, Grant, Ian M, Huang, Eric, Kerwin, Diana, Taylor, Jack Carson, Lapid, Maria, Lee, Suzee, Leger, Gabriel, Masdeux, Joseph C, McGinnis, Scott, Mendez, Mario, Onyike, Chiadi, Pascual, M Belen, Pressman, Peter, Rademakers, Rosa, Wise, Amy, Ramanan, Vijay, Ritter, Aaron, Seeley, William W, Syrjanen, Jeremy, Taylor, Jack C, Weintraub, Sandra, Esteve, Aitana Sogorb, Nelson, Annabel, Greaves, Caroline V, Thomas, David L, Ong, Elise, Benotmane, Hanya, Zetterberg, Henrik, Nicholas, Jennifer, Samra, Kiran, Shafei, Rachelle, Timberlake, Carolyn, Cope, Thomas, Rittman, Timothy, Benussi, Alberto, Premi, Enrico, Forsberg, Leah, Gasparotti, Roberto, Archetti, Silvana, Gazzina, Stefano, Cantoni, Valentina, Arighi, Andrea, Fenoglio, Chiara, Scarpini, Elio, Fumagalli, Giorgio, Borracci, Vittoria, Rossi, Giacomina, Brushaber, Danielle, Giaccone, Giorgio, Di Fede, Giuseppe, Caroppo, Paola, Prioni, Sara, Redaelli, Veronica, Tang-Wai, David, Rogaeva, Ekaterina, Castelo-Branco, Miguel, Freedman, Morris, Keren, Ron, Rojas, Julio C, Black, Sandra, Mitchell, Sara, Shoesmith, Christen, Bartha, Robart, Poos, Jackie, Papma, Janne M, Giannini, Lucia, van Minkelen, Rick, Pijnenburg, Yolande, Nacmias, Benedetta, VandeVrede, Lawren, Ferrari, Camilla, Polito, Cristina, Lombardi, Gemma, Bessi, Valentina, Veldsman, Michele, Andersson, Christin, Thonberg, Hakan, Öijerstedt, Linn, Jelic, Vesna, Thompson, Paul, Ljubenkov, Peter, Lladó, Albert, Antonell, Anna, Olives, Jaume, Balasa, Mircea, Bargalló, Nuria, Borrego-Ecija, Sergi, Verdelho, Ana, Maruta, Carolina, Ferreira, Catarina B, Miltenberger, Gabriel, Wendelberger, Barbara, Kramer, Joel, Simões do Couto, Frederico, Gabilondo, Alazne, Gorostidi, Ana, Villanua, Jorge, Cañada, Marta, Tainta, Mikel, Zulaica, Miren, Barandiaran, Myriam, Alves, Patricia, Bender, Benjamin, Casaletto, Kaitlin B, Wilke, Carlo, Graf, Lisa, Vogels, Annick, Vandenbulcke, Mathieu, Van Damme, Philip, Bruffaerts, Rose, Poesen, Koen, Rosa-Neto, Pedro, Gauthier, Serge, Camuzat, Agnès, Appleby, Brian, Brice, Alexis, Bertrand, Anne, Funkiewiez, Aurélie, Rinaldi, Daisy, Saracino, Dario, Colliot, Olivier, Sayah, Sabrina, Prix, Catharina, Wlasich, Elisabeth, Wagemann, Olivia, Bordelon, Yvette, Loosli, Sandra, Schönecker, Sonja, Hoegen, Tobias, Lombardi, Jolina, Anderl-Straub, Sarah, Rollin, Adeline, Kuchcinski, Gregory, Bertoux, Maxime, Lebouvier, Thibaud, Deramecourt, Vincent, Botha, Hugo, Santiago, Beatriz, Duro, Diana, Leitão, Maria João, Almeida, Maria Rosario, Tábuas-Pereira, Miguel, Afonso, Sónia, Dickerson, Bradford C, Domoto-Reilly, Kimiko, Fields, Julie A, Foroud, Tatiana, Gavrilova, Ralitza, Heuer, Hilary W, Geschwind, Daniel, Ghoshal, Nupur, Goldman, Jill, Graff-Radford, Jonathon, Graff-Radford, Neill, Grossman, Murray, Hall, Matthew G H, Hsiung, Ging-Yuek, Huey, Edward D, Irwin, David, Russell, Lucy L, Jones, David T, Kantarci, Kejal, Kaufer, Daniel, Knopman, David S, Kremers, Walter, Lago, Argentina Lario, Lapid, Maria I, Litvan, Irene, Lucente, Diane, Mackenzie, Ian R, Cobigo, Yann, Mendez, Mario F, Mester, Carly, Miller, Bruce L, Onyike, Chiadi U, Ramanan, Vijay K, Ramos, Eliana Marisa, Rao, Meghana, Rascovsky, Katya, Rankin, Katherine P, Wolf, Amy, Roberson, Erik D, Savica, Rodolfo, Tartaglia, M Carmela, Wong, Bonnie, Cash, David M, Bouzigues, Arabella, Swift, Imogen J, Peakman, Georgia, Bocchetta, Martina, Goh, Sheng-Yang Matt, Todd, Emily G, Convery, Rhian S, Rowe, James B, Borroni, Barbara, Galimberti, Daniela, Tiraboschi, Pietro, Masellis, Mario, Finger, Elizabeth, van Swieten, John C, Seelaar, Harro, Petrucelli, Leonard, Jiskoot, Lize C, Sorbi, Sandro, Butler, Chris R, Graff, Caroline, Gerhard, Alexander, Langheinrich, Tobias, Laforce, Robert, Sanchez-Valle, Raquel, de Mendonça, Alexandre, Moreno, Fermin, Gendron, Tania F, Synofzik, Matthis, Vandenberghe, Rik, Ducharme, Simon, Le Ber, Isabelle, Levin, Johannes, Danek, Adrian, Otto, Markus, Pasquier, Florence, Santana, Isabel, Kornak, John, Frontotemporal Dementia Prevention Initiative (FPI) Investigators, and Neurology
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Clinical Trials as Topic ,C9orf72 Protein ,biomarkers ,genetics [Mutation] ,tau Proteins ,General Medicine ,Article ,General Biochemistry, Genetics and Molecular Biology ,genetics [tau Proteins] ,Chemistry ,Frontotemporal Dementia ,Mutation ,Disease Progression ,Humans ,ddc:610 ,Human medicine ,genetics [C9orf72 Protein] ,genetics [Frontotemporal Dementia] ,Biology ,Biomarkers ,dementia - Abstract
Data availability: The datasets analyzed for the current study reflect collaborative efforts of two research consortia: ALLFTD and GENFI. Each consortium provides clinical data access based on established policies for data use: processes for request are available for review at allftd.org/data for ALLFTD data and by emailing genfi@ucl.ac.uk. Certain data elements from both consortia (for example raw MRI images) may be restricted due to the potential for identifiability in the context of the sensitive nature of the genetic data. The deidentified combined dataset will be available for request through the FTD Prevention Initiative in 2023 (https://www.thefpi.org/). Code availability: Custom R code is available at https://doi.org/10.5281/zenodo.6687486. Copyright © The Author(s). Unlike familial Alzheimer’s disease, we have been unable to accurately predict symptom onset in presymptomatic familial frontotemporal dementia (f-FTD) mutation carriers, which is a major hurdle to designing disease prevention trials. We developed multimodal models for f-FTD disease progression and estimated clinical trial sample sizes in C9orf72, GRN and MAPT mutation carriers. Models included longitudinal clinical and neuropsychological scores, regional brain volumes and plasma neurofilament light chain (NfL) in 796 carriers and 412 noncarrier controls. We found that the temporal ordering of clinical and biomarker progression differed by genotype. In prevention-trial simulations using model-based patient selection, atrophy and NfL were the best endpoints, whereas clinical measures were potential endpoints in early symptomatic trials. f-FTD prevention trials are feasible but will likely require global recruitment efforts. These disease progression models will facilitate the planning of f-FTD clinical trials, including the selection of optimal endpoints and enrollment criteria to maximize power to detect treatment effects. Data collection and dissemination of the data presented in this paper were supported by the ALLFTD Consortium (U19: AG063911, funded by the National Institute on Aging and the National Institute of Neurological Diseases and Stroke) and the former ARTFL and LEFFTDS Consortia (ARTFL: U54 NS092089, funded by the National Institute of Neurological Diseases and Stroke and National Center for Advancing Translational Sciences; LEFFTDS: U01 AG045390, funded by the National Institute on Aging and the National Institute of Neurological Diseases and Stroke). The manuscript was reviewed by the ALLFTD Executive Committee for scientific content. The authors acknowledge the invaluable contributions of the study participants and families as well as the assistance of the support staffs at each of the participating sites. This work is also supported by the Association for Frontotemporal Degeneration (including the FTD Biomarkers Initiative), the Bluefield Project to Cure FTD, Larry L. Hillblom Foundation (2018-A-025-FEL (A.M.S.)), the National Institutes of Health (AG038791 (A.L.B.), AG032306 (H.J.R.), AG016976 (W.K.), AG062677 (Ron C. Peterson), AG019724 (B.L.M.), AG058233 (Suzee E. Lee), AG072122 (Walter Kukull), P30 AG062422 (B.L.M.), K12 HD001459 (N.G.), K23AG061253 (A.M.S.), AG062422 (RCP), K24AG045333 (H.J.R.)) and the Rainwater Charitable Foundation. Samples from the National Centralized Repository for Alzheimer Disease and Related Dementias (NCRAD), which receives government support under a cooperative agreement grant (U24 AG021886 (T.F.)) awarded by the National Institute on Aging (NIA), were used in this study. This work was also supported by Medical Research Council UK GENFI grant MR/M023664/1 (J.D.R.), the Bluefield Project, the National Institute for Health Research including awards to Cambridge and UCL Biomedical Research Centres and a JPND GENFI-PROX grant (2019–02248). Several authors of this publication are members of the European Reference Network for Rare Neurologic Diseases, project 739510. J.D.R. and L.L.R. are also supported by the National Institute for Health and Care Research (NIHR) UCL/H Biomedical Research Centre, the Leonard Wolfson Experimental Neurology Centre Clinical Research Facility and the UK Dementia Research Institute, which receives its funding from UK DRI Ltd, funded by the UK Medical Research Council, Alzheimer’s Society and Alzheimer’s Research UK. J.D.R. is also supported by the Miriam Marks Brain Research UK Senior Fellowship and has received funding from an MRC Clinician Scientist Fellowship (MR/M008525/1) and the NIHR Rare Disease Translational Research Collaboration (BRC149/NS/MH). M.B. is supported by a Fellowship award from the Alzheimer’s Society, UK (AS-JF-19a-004-517). RC and C.G. are supported by a Frontotemporal Dementia Research Studentships in Memory of David Blechner funded through The National Brain Appeal (RCN 290173). J.B.R. is supported by NIHR Cambridge Biomedical Research Centre (BRC-1215-20014; the views expressed are those of the authors and not necessarily those of the NIHR or the Department of Health and Social Care), the Wellcome Trust (220258), the Cambridge Centre for Parkinson-plus and the Medical Research Council (SUAG/092 G116768); I.L.B. is supported by ANR-PRTS PREV-DemAls, PHRC PREDICT-PGRN, and several authors of this publication are members of the European Reference Network for Rare Neurological Diseases (project 739510). J.L. is funded by the Deutsche Forschungsgemeinschaft (German Research Foundation) under Germany’s Excellence Strategy within the framework of the Munich Cluster for Systems Neurology (EXC 2145 SyNergy – ID 390857198). R.S.-V. was funded at the Hospital Clinic de Barcelona by Instituto de Salud Carlos III, Spain (grant code PI20/00448 to RSV) and Fundació Marató TV3, Spain (grant code 20143810 to R.S.-V.). M.M. was, in part, funded by the UK Medical Research Council, the Italian Ministry of Health and the Canadian Institutes of Health Research as part of a Centres of Excellence in Neurodegeneration grant, by Canadian Institutes of Health Research operating grants (MOP- 371851 and PJT-175242) and by funding from the Weston Brain Institute. R.L. is supported by the Canadian Institutes of Health Research and the Chaire de Recherche sur les Aphasies Primaires Progressives Fondation Famille Lemaire. C.G. is supported by the Swedish Frontotemporal Dementia Initiative Schörling Foundation, Swedish Research Council, JPND Prefrontals, 2015–02926,2018–02754, Swedish Alzheimer Foundation, Swedish Brain Foundation, Karolinska Institutet Doctoral Funding, KI Strat-Neuro, Swedish Dementia Foundation, and Stockholm County Council ALF/Region Stockholm. J.L. is supported by Germany’s Excellence Strategy within the framework of the Munich Cluster for Systems Neurology (German Research Foundation, EXC 2145 Synergy 390857198). The Dementia Research Centre is supported by Alzheimer’s Research UK, Alzheimer’s Society, Brain Research UK, and The Wolfson Foundation. This work was supported by the National Institute for Health Research UCL/H Biomedical Research Centre, the Leonard Wolfson Experimental Neurology Centre Clinical Research Facility and the UK Dementia Research Institute, which receives its funding from UK DRI Ltd, funded by the UK Medical Research Council, Alzheimer’s Society, and Alzheimer’s Research UK.
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- 2022
23. The Adaptive Immune Landscape of the Colorectal Adenoma–Carcinoma Sequence
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João Augusto Freitas, Irene Gullo, Diogo Garcia, Sara Miranda, Louisa Spaans, Lídia Pinho, Joana Reis, Fabiana Sousa, Manuela Baptista, Carlos Resende, Dina Leitão, Cecília Durães, José Luis Costa, Fátima Carneiro, and José Carlos Machado
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colorectal adenoma ,colorectal adenocarcinoma ,familial adenomatous polyposis ,APC germline alterations ,tumor immune microenvironment ,immunogenicity ,Biology (General) ,QH301-705.5 ,Chemistry ,QD1-999 - Abstract
Background. The tumor immune microenvironment exerts a pivotal influence in tumor initiation and progression. The aim of this study was to analyze the immune context of sporadic and familial adenomatous polyposis (FAP) lesions along the colorectal adenoma–carcinoma sequence (ACS). Methods. We analyzed immune cell counts (CD3+, CD4+, CD8+, Foxp3+, and CD57+), tumor mutation burden (TMB), MHC-I expression and PD-L1 expression of 59 FAP and 74 sporadic colorectal lesions, encompassing adenomas with low-grade dysplasia (LGD) (30 FAP; 30 sporadic), adenomas with high-grade dysplasia (22 FAP; 30 sporadic), and invasive adenocarcinomas (7 FAP; 14 sporadic). Results. The sporadic colorectal ACS was characterized by (1) a stepwise decrease in immune cell counts, (2) an increase in TMB and MHC-I expression, and (3) a lower PD-L1 expression. In FAP lesions, we observed the same patterns, except for an increase in TMB along the ACS. FAP LGD lesions harbored lower Foxp3+ T cell counts than sporadic LGD lesions. A decrease in PD-L1 expression occurred earlier in FAP lesions compared to sporadic ones. Conclusions. The colorectal ACS is characterized by a progressive loss of adaptive immune infiltrate and by the establishment of a progressively immune cold microenvironment. These changes do not appear to be related with the loss of immunogenicity of tumor cells, or to the onset of an immunosuppressive tumor microenvironment.
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- 2021
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24. Sono-Biosynthesis and Characterization of AuNPs from Danube Delta Nymphaea alba Root Extracts and Their Biological Properties
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Mihaela Cudalbeanu, David Peitinho, Francisco Silva, Rosa Marques, Teresa Pinheiro, Ana C. Ferreira, Fernanda Marques, António Paulo, Catarina F. Soeiro, Sílvia Andreia Sousa, Jorge Humberto Leitão, Aurel Tăbăcaru, Sorin Marius Avramescu, Rodica Mihaela Dinica, and Maria Paula Cabral Campello
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gold nanoparticles ,Nymphaea alba ,sonochemistry ,biosynthesis ,antimicrobial activity ,antitumor activity ,Chemistry ,QD1-999 - Abstract
Root extracts from Danube Delta Nymphaea alba were used to prepare gold nanoparticles (AuNPRn) by reducing HAuCl4 at different pHs (6.4–8.4) using ultrasonic irradiation: an easy, cheap, eco-friendly and green approach. Their antibacterial and anticancer activities were evaluated against Staphylococcus aureus and Escherichia coli, and A2780 ovarian cancer cells, respectively. The AuNPRn were characterized concerning their phytoconstituents (polyphenols, flavonoids and condensed tannins) and gold content. All of the nanoparticles were negatively charged. AuNPRn exhibited a hydrodynamic size distribution ranging from 32 nm to 280 nm, with the larger nanoparticles being obtained with an Au/root extract ratio of 0.56, pH 7 and 10 min of sonication (AuNPR1), whereas the smallest were obtained with an Au/root extract ratio of 0.24, pH 7.8 and 40 min of sonication (AuNPR4). The TEM/SEM images showed that the AuNPRn had different shapes. The ATR-FTIR indicated that AuNPRn interact mainly with hydroxyl groups present in the polyphenol compounds, which also confirm their high antioxidant capacity, except for AuNPR2 obtained at pH 6.4. Among the AuNPRn, the smallest ones exhibited enhanced antimicrobial and anticancer activities.
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- 2021
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25. AT1 and AT2 Receptor Knockout Changed Osteonectin and Bone Density in Mice in Periodontal Inflammation Experimental Model
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Maria Laura de Souza Lima, Caroline Addison Carvalho Xavier de Medeiros, Gerlane Coelho Bernardo Guerra, Robson Santos, Michael Bader, Flavia Q. Pirih, Raimundo Fernandes de Araújo Júnior, Alan B. Chan, Luis J. Cruz, Gerly Anne de Castro Brito, Renata Ferreira de Carvalho Leitão, Ericka Janine Dantas da Silveira, Vinicius Barreto Garcia, Agnes Andrade Martins, and Aurigena Antunes de Araújo
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bone ,micro-computed tomography ,periodontitis ,inflammation ,osteonectin ,Biology (General) ,QH301-705.5 ,Chemistry ,QD1-999 - Abstract
Background: The aim of this study was to evaluate the role of AT1 and AT2 receptors in a periodontal inflammation experimental model. Methods: Periodontal inflammation was induced by LPS/Porphyromonas gingivalis. Maxillae, femur, and vertebra were scanned using Micro-CT. Maxillae were analyzed histopathologically, immunohistochemically, and by RT-PCR. Results: The vertebra showed decreased BMD in AT1 H compared with WT H (p < 0.05). The femur showed increased Tb.Sp for AT1 H and AT2 H, p < 0.01 and p < 0.05, respectively. The Tb.N was decreased in the vertebra (WT H-AT1 H: p < 0.05; WT H-AT2 H: p < 0.05) and in the femur (WT H-AT1 H: p < 0.01; WT H-AT2 H: p < 0.05). AT1 PD increased linear bone loss (p < 0.05) and decreased osteoblast cells (p < 0.05). RANKL immunostaining was intense for AT1 PD and WT PD (p < 0.001). OPG was intense in the WT H, WT PD, and AT2 PD when compared to AT1 PD (p < 0.001). AT1 PD showed weak immunostaining for osteocalcin compared with WT H, WT PD, and AT2 PD (p < 0.001). AT1 H showed significantly stronger immunostaining for osteonectin in fibroblasts compared to AT2 H (p < 0.01). Conclusion: AT1 receptor knockout changed bone density, the quality and number of bone trabeculae, decreased the number of osteoblast cells, and increased osteonectin in fibroblasts.
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- 2021
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26. Flavonoids from Siparuna cristata as Potential Inhibitors of SARS-CoV-2 Replication
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Amanda R. Tucci, Fernanda das Neves Costa, Rosineide Costa Simas, Pedro Henrique Nascimento, Romain Sausset, Maria Eduarda S Monteiro, Simony C. Mendonça, Manuela Leal da Silva, Caio Cheohen, Tayssa Santos Gondim, Carla Monteiro Leal, Natalia Fintelman-Rodrigues, Milene D. Miranda, Maria Eduarda A Esteves, Marilda M. Siqueira, Gilda Guimarães Leitão, and Suzana G. Leitão
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biology ,Traditional medicine ,Siparunaceae ,viruses ,virus diseases ,Lopinavir ,medicine.disease_cause ,biology.organism_classification ,Retusin (flavonol) ,chemistry.chemical_compound ,chemistry ,Viral replication ,Chloroquine ,Siparuna ,medicine ,Ritonavir ,General Pharmacology, Toxicology and Pharmaceutics ,Coronavirus ,medicine.drug - Abstract
The novel coronavirus SARS-CoV-2 has been affecting the world, causing severe pneumonia and acute respiratory syndrome, leading people to death. Therefore, the search for anti-SARS-CoV-2 compounds is pivotal for public health. Natural products may present sources of bioactive compounds; among them, flavonoids are known in literature for their antiviral activity. Siparuna species are used in Brazilian folk medicine for the treatment of colds and flu. This work describes the isolation of 3,3′,4′-tri-O-methyl-quercetin, 3,7,3′,4′-tetra-O-methyl-quercetin (retusin), and 3,7-di-O-methyl-kaempferol (kumatakenin) from the dichloromethane extract of leaves of Siparuna cristata (Poepp. & Endl.) A.DC., Siparunaceae, using high-speed countercurrent chromatography in addition to the investigation of their inhibitory effect against SARS-CoV-2 viral replication. Retusin and kumatakenin inhibited SARS-CoV-2 replication in Vero E6 and Calu-3 cells, with a selective index greater than lopinavir/ritonavir and chloroquine, used as control. Flavonoids and their derivatives may stand for target compounds to be tested in future clinical trials to enrich the drug arsenal against coronavirus infections.
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- 2021
27. Structural Insights into Carboxylic Polyester-Degrading Enzymes and Their Functional Depolymerizing Neighbors
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Ana Lúcia Leitão and Francisco J. Enguita
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polyester ,esterase ,plastic polymer ,biodegradation ,depolymerizing esterase ,PETase ,Biology (General) ,QH301-705.5 ,Chemistry ,QD1-999 - Abstract
Esters are organic compounds widely represented in cellular structures and metabolism, originated by the condensation of organic acids and alcohols. Esterification reactions are also used by chemical industries for the production of synthetic plastic polymers. Polyester plastics are an increasing source of environmental pollution due to their intrinsic stability and limited recycling efforts. Bioremediation of polyesters based on the use of specific microbial enzymes is an interesting alternative to the current methods for the valorization of used plastics. Microbial esterases are promising catalysts for the biodegradation of polyesters that can be engineered to improve their biochemical properties. In this work, we analyzed the structure-activity relationships in microbial esterases, with special focus on the recently described plastic-degrading enzymes isolated from marine microorganisms and their structural homologs. Our analysis, based on structure-alignment, molecular docking, coevolution of amino acids and surface electrostatics determined the specific characteristics of some polyester hydrolases that could be related with their efficiency in the degradation of aromatic polyesters, such as phthalates.
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- 2021
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28. Extracellular RNAs in Bacterial Infections: From Emerging Key Players on Host-Pathogen Interactions to Exploitable Biomarkers and Therapeutic Targets
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Tiago Pita, Joana R. Feliciano, and Jorge H. Leitão
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extracellular RNAs ,membrane vesicles ,host-pathogen interactions ,Biology (General) ,QH301-705.5 ,Chemistry ,QD1-999 - Abstract
Non-coding RNAs (ncRNAs) are key regulators of post-transcriptional gene expression in prokaryotic and eukaryotic organisms. These molecules can interact with mRNAs or proteins, affecting a variety of cellular functions. Emerging evidence shows that intra/inter-species and trans-kingdom regulation can also be achieved with exogenous RNAs, which are exported to the extracellular medium, mainly through vesicles. In bacteria, membrane vesicles (MVs) seem to be the more common way of extracellular communication. In several bacterial pathogens, MVs have been described as a delivery system of ncRNAs that upon entry into the host cell, regulate their immune response. The aim of the present work is to review this recently described mode of host-pathogen communication and to foster further research on this topic envisaging their exploitation in the design of novel therapeutic and diagnostic strategies to fight bacterial infections.
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- 2020
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29. N-1,2,3-Triazole–isatin derivatives: anti-proliferation effects and target identification in solid tumour cell lines
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Natalia Busto, Joana Leitão-Castro, Alfonso T. García-Sosa, Francisco Cadete, Carolina S. Marques, Renata Freitas, and Anthony J. Burke
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Pharmacology ,Chemistry ,Organic Chemistry ,Drug Discovery ,Pharmaceutical Science ,Molecular Medicine ,Biochemistry - Abstract
Molecular hybridization approaches have become an important strategy in medicinal chemistry, and to this end, we have developed a series of novel N-1,2,3-triazole–isatin hybrids that are promising as tumour anti-proliferative agents. Our isatin hybrids presented high cytotoxic activity against colon cancer cell line SW480, lung adenocarcinoma cell line A549, as well as breast cancer cell lines MCF7 and MDA-MB-231. All tested compounds demonstrated better anti-proliferation (to 1-order of magnitude) than the cis-platin (CDDP) benchmark. In order to explore potential biological targets for these compounds, we used information from previous screenings and identified as putative targets the histone acetyltransferase P-300 (EP300) and the acyl-protein thioesterase 2 (LYPLA2), both known to be involved in epigenetic regulation. Advantageous pharmacological properties were predicted for these compounds such as good total surface area of binding to aromatic and hydrophobic units in the enzyme active site. In addition, we found down-regulation of LYPLA2 and EP300 in both the MCF7 and MDA-MB-231 breast cancer cells treated with our inhibitors, but no significant effect was detected in normal breast cells MCF10A. We also observed upregulation of EP300 mRNA expression in the MCF10A cell line for some of these compounds and the same effect for LYPLA2 mRNA in MCF7 for one of our compounds. These results suggest an effect at the transcriptional regulation level and associated with oncological contexts.
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- 2022
30. On the mixed oxides-supported niobium catalyst towards benzylamine oxidation
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Javier Adrio, Gustavo S.G. de Carvalho, Alexandre A. Leitão, Álisson Silva Granato, Carla G. Fonseca, and Giovanni W. Amarante
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02 engineering and technology ,General Chemistry ,Nitroso ,010402 general chemistry ,021001 nanoscience & nanotechnology ,Oxime ,01 natural sciences ,Combinatorial chemistry ,Redox ,Catalysis ,0104 chemical sciences ,chemistry.chemical_compound ,Benzylamine ,chemistry ,Oxidizing agent ,0210 nano-technology ,Hydrogen peroxide ,Selectivity - Abstract
A series of mixed oxides-supported niobium-based catalysts has been synthesized and applied towards oxidation reactions of benzylamine derivatives. Under the optimized reaction conditions, the selectivity to oxime enhanced, leading to the main product with up to 72 %. Moreover, even α-substituted benzylamines were well tolerated and led to oximes in good isolated yields. It is important to mention; four equivalents of the harmless and inexpensive hydrogen peroxide were employed as oxidizing agent. Mechanism hypothesis suggested that the reaction proceed to selective benzylamine oxidation into nitroso intermediate, following by formation of the corresponding oxime tautomer mediated by an unstable water produced by NbOx supported catalyst. This consists the first mixed oxides-supported niobium-based catalyst for selective oxidation of benzylamines to oximes.
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- 2021
31. Microbial Virulence Factors
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Jorge H. Leitão
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microbial virulence factors ,bacterial pathogens ,fungal pathogens ,pathogenicity ,Biology (General) ,QH301-705.5 ,Chemistry ,QD1-999 - Abstract
Microbial virulence factors encompass a wide range of molecules produced by pathogenic microorganisms, enhancing their ability to evade their host defenses and cause disease [...]
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- 2020
- Full Text
- View/download PDF
32. Biohydrogen Production by Dark Fermentation of Standard Xylose in a Semi-continuous Reactor
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Franknairy Gomes Silva, Magali Christe Cammarota, and Viridiana Santana Ferreira-Leitão
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Environmental Engineering ,Hydraulic retention time ,Renewable Energy, Sustainability and the Environment ,Continuous reactor ,Chemical oxygen demand ,Dark fermentation ,Xylose ,Pulp and paper industry ,Continuous production ,chemistry.chemical_compound ,chemistry ,Biohydrogen ,Fermentation ,Waste Management and Disposal - Abstract
The continuous production of biohydrogen by dark fermentation was evaluated in a bench reactor with thermally pretreated anaerobic sludge and synthetic solution of xylose supplemented with nutrients. The reactor operated at 35 °C in semi-continuous mode, which consisted of 16 h feeding cycles (for a hydraulic retention time of 48 h), mixing until completing 19 h of fermentation, and stopping the mixture for 5 h for sedimentation of sludge, followed by the withdrawal of supernatant. The reactor was operated with standard xylose as substrate for 70 days under different chemical oxygen demand (COD) loads and mixing modes during fermentation (intermittent or continuous). A yield of 1.4 mmol H2/mmol xylose was obtained under an organic loading rate of 2.5 g COD/L.d. The consumption of xylose (76.5%) and the H2 yield, which was approximately 41% of the maximum theoretical yield (3.33 mmol H2/mmol xylose with acetic acid as a byproduct), indicates that further studies are necessary to optimize the biohydrogen production in semi-continuous reactors. However, the following parameters led to greater stability of H2 production: adaptation of microorganisms to xylose through prolonged operation in a semi-continuous regime as well as the constant mixing of the reactor contents to reduce gradients of pH, organic acids, and local inhibition of microorganisms. Additionally, an increase in influent alkalinity maintained the pH at levels suitable for H2 producers.
- Published
- 2021
33. Comparative performance and reusability studies of lipases on syntheses of octyl esters with an economic approach
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Ayla Sant’Ana da Silva, José Carlos Pinto, Erika C.G. Aguieiras, Ronaldo Rodrigues de Sousa, Denise M. G. Freire, Martina C. C. Pinto, Eliane Pereira Cipolatti, Evelin A. Manoel, and Viridiana Santana Ferreira-Leitão
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biology ,Chemistry ,Bioengineering ,Immobilized lipase ,General Medicine ,Economic assessment ,Biocatalysis ,biology.protein ,Organic chemistry ,Fermentation ,Industrial and production engineering ,Lipase ,Biotechnology ,Reusability - Abstract
A suitable immobilized lipase for esters syntheses should be selected considering not only its cost. We evaluated five biocatalysts in syntheses of octyl caprylate, octyl caprate, and octyl laurate, in which conversions higher than 90% were achieved. Novozym® 435 and non-commercial preparations (including a dry fermented solid) were selected for short-term octyl laurate syntheses using different biocatalysts loadings. By increasing the biocatalyst’s loading the lipase’s reusability also raised, but without strict proportionality, which resulted in a convergence between the lowest biocatalyst loading and the lowest cost per batch. The use of a dry fermented solid was cost-effective, even using loadings as high as 20.0% wt/wt due to its low obtaining cost, although exhibiting low productiveness. The combination of biocatalyst’s cost, esterification activity, stability, and reusability represents proper criteria for the choice. This kind of assessment may help to establish quantitative goals to improve or to develop new biocatalysts.
- Published
- 2021
34. Development of an integrated process to produce CNFs and lignin and its potential applications for agrochemical delivery
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Jéssica S. de Almeida, Diego M. do Nascimento, Judith P.A. Feitosa, Morsyleide de Freitas Rosa, Renato Carrhá Leitão, Alain Dufresne, and Yana L. Nunes
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Materials science ,Polymers and Plastics ,technology, industry, and agriculture ,Nanoparticle ,macromolecular substances ,complex mixtures ,Husk ,chemistry.chemical_compound ,chemistry ,Chemical engineering ,Nanofiber ,Self-healing hydrogels ,Lignin ,Coir ,Cellulose ,Steam explosion - Abstract
This work aimed to study the use of cellulose nanofibers (CNFs) from coir husk fibers to develop nanocomposite hydrogels. Cellulose and lignin were obtained from coir husk using the steam explosion pretreatment, followed by alkaline-ethanol-water pretreatment and bleaching process. CNFs from coir husk fibers were obtained using a high-speed blender on cellulose pulp previously oxidized with 2,2,6,6-tetramethylpiperidine-1-oxyl radical (TEMPO). Poly(N,N-dimethylacrylamide) (PDMA) was used as a matrix material to produce novel nanocomposite hydrogels reinforced with CNFs by a facile synthesis method. The compression modulus of PDMA/CNF hydrogels increased significantly when compared to PDMA hydrogel. The water-retention and nitrogen (N), phosphorous (P), and potassium (K) (NPK) fertilizer release studies indicated that the addition of CNFs considerably improved the water-retention capacity but reduced the nutrient loading capacity of the hydrogel. All the prepared nanocomposite hydrogels had significantly improved mechanical performance. Our study provides a facile and green route to produce CNFs and lignin. Furthermore, nanocomposite hydrogels with tunable properties for potential agriculture applications were prepared by homogeneously dispersing cellulose nanoparticles in PDMA.
- Published
- 2021
35. Glycosidic Acid Content from the Roots of Operculina hamiltonii (Brazilian Jalap) and Some of Their Phytopharmaceuticals with Purgative Activity
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Armando Moreno-Velasco, María Emma Montiel-Ayala, Rogelio Pereda-Miranda, Suzana G. Leitão, Jesús Lira-Ricárdez, Mabel Fragoso-Serrano, Nadia Rosalina Jiménez-Bárcenas, and Jhon Castañeda-Gómez
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Acid content ,chemistry.chemical_classification ,Traditional medicine ,biology ,Chemistry ,Fatty acid ,Glycosidic bond ,biology.organism_classification ,High-performance liquid chromatography ,Hydrolysis ,Selected ion monitoring ,General Pharmacology, Toxicology and Pharmaceutics ,Operculina hamiltonii ,Convolvulaceae - Abstract
Brazilian jalap root, Operculina hamiltonii (G. Don) D.F. Austin & Staple, Convolvulaceae, belongs to the morning glory family and is used as a purgative or laxative medicinal plant. After hydrolysis and peracetylation of the EtOH-soluble extract, the known operculinic acids A and B and turpethic acid C, in addition to three undescribed glycosidic acids, operculinic acids L-N with a tetrasaccharide or pentasaccharide moieties with unusual 12-hydroxy fatty acid aglycones of different chain lengths (C17 and C18), were isolated from a commercial sample of pulverized roots by preparative recycling HPLC. Analysis of sixteen samples, including crude drugs and commercial phytopharmaceuticals based on jalap root, led to the generation of distinctive chromatographic profiles for each sample. The major isolated glycosidic acids were used as diagnostic peaks for HPLC-ESIMS fingerprinting by selected ion monitoring mode using target ions at [M + Na]+.
- Published
- 2021
36. Photochemistry of Monohydrated Chloromethane: Formation of Free and Hydrated Cl– and CH3+ Ions from a Solvent-Shared Semi-Ion-Pair
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Ezequiel F. V. Leitão, Silmar A. do Monte, Mariana G Bezerra, Railton B. de Andrade, and Elizete Ventura
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chemistry.chemical_compound ,Chemistry ,Chemical physics ,Excited state ,Chloromethane ,Multireference configuration interaction ,Molecule ,Singlet state ,Physical and Theoretical Chemistry ,Bond-dissociation energy ,Dissociation (chemistry) ,Ion - Abstract
The effect of water molecule on the excited states of CH3Cl(H2O), as compared to those of the isolated chloromethane, has been studied at the multireference configuration interaction with singles and doubles (MR-CISD), including extensivity corrections. Eight new Rydberg states are due to the water molecule but the common states of both systems are not severely altered. Potential energy curves of 23 singlet states along the C-Cl coordinate have also been computed at the MR-CISD level. The dissociation energy of the C-Cl bond decreases from ∼0.4 to 0.5 eV due to the water molecule. As for CH3Cl (de Medeiros, V. C., J. Am. Chem. Soc. 2016, 138, 272-280), a stable ion-pair has also been characterized. However, for CH3Cl(H2O), this ion-pair is better described as a solvent-shared semi-ion-pair, CH3+δ(H2O)Cl-δ. This species is connected with three ionic dissociation channels, with two being due to the water molecule. The presence of these new ionic channels, particularly the lowest energy one, [H3C-O]+ + Cl-, raises a very important question of atmospheric relevance: can the interaction of chloroalkanes with water decrease its deleterious effect on the ozone layer? Several potentially new competing dissociation channels are also studied. The latter results can help to set up the most important states to be included in nonadiabatic dynamic calculations to study how the yields of the ionic channels change due to the water molecule.
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- 2021
37. Ziziphus joazeiro, a Saponin-Rich Brazilian Medicinal Plant: Pharmacognostic Characterization of Bark and Leaves
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Thamirys Silva da Fonseca, Gilda Guimarães Leitão, Lilian Hortale de Oliveira Moreira, Mariana Freire Campos, Carlos A. Marques, Eliana Schwartz Tavares, Alan Menezes do Nascimento, Rosineide Costa Simas, Simony C. Mendonça, and Suzana G. Leitão
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chemistry.chemical_classification ,biology ,Traditional medicine ,010405 organic chemistry ,Chemistry ,Saponin ,Atmospheric-pressure chemical ionization ,Ziziphus ,Raw material ,biology.organism_classification ,Mass spectrometry ,complex mixtures ,01 natural sciences ,0104 chemical sciences ,010404 medicinal & biomolecular chemistry ,Phytochemical ,visual_art ,Rhamnaceae ,visual_art.visual_art_medium ,Bark ,General Pharmacology, Toxicology and Pharmaceutics - Abstract
Ziziphus joazeiro Mart., Rhamnaceae, is a plant native to northeast Brazil where it is known as “juazeiro.” Its bark, rich in saponins, is widely utilized in folk medicine and as a supply to produce cosmetics. Aiming at the preservation of the species and the search for an alternative vegetal raw material, the phytochemical profiles of bark and leaves were compared by chemical techniques. The foaming index and gravimetric studies indicated that, in general, bark values were approximately twice than those of the leaves. The same occurred with the hemolysis indexes. Extracts were dereplicated by liquid chromatography with diode array detection coupled to mass spectrometry analyses using an atmospheric pressure chemical ionization source, which indicated that at least 5 saponins were common to all bark and leaf samples. The direct infusion high-resolution mass spectrometry analyses revealed at least 44 different saponins distributed between the bark and leaves of the analyzed plant, of which 40 were described for the first time. The data showed that there were similarities between the studied plant organs as demonstrated by mass spectrometry, foaming index, and hemolysis indexes. Therefore, with the application of a suitable standardization procedure the leaves could be a promising source for obtaining “juazeiro-type” saponins.
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- 2020
38. Absolute Stereochemistry of Antifungal Limonene-1,2-diols from Lippia rubella
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Lucero Martínez-Fructuoso, Danila de Sousa Silva, Daniela S. Alviano, Leopoldo Clemente Baratto, Celuta S. Alviano, Thamirys Silva da Fonseca, Rogelio Pereda-Miranda, Gabriel R. Martins, Suzana G. Leitão, Caroline V.V. Castilho, and Gilda Guimarães Leitão
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Cryptococcus neoformans ,Lippia ,Limonene ,biology ,Chemistry ,Stereochemistry ,Verbenaceae ,Diastereomer ,Substituent ,Absolute (perfumery) ,biology.organism_classification ,chemistry.chemical_compound ,Countercurrent chromatography ,General Pharmacology, Toxicology and Pharmaceutics - Abstract
From the active dichloromethane-soluble extract of Lippia rubella (Moldenke) T.R.S. Silva & Salimena, Verbenaceae (MIC = 78 μg/ml against Cryptococcus neoformans), two diastereomers of limonene-1,2-diol were isolated by countercurrent chromatography. An extensive NMR exploration to address the problem of distinguishing and evaluating the stereochemical influences of the C-2 hydroxy substituent on hydrogen and carbon chemical shifts of the natural products confirmed that these natural antifungal monoterpenes are derived from R-(+)-limonene. The absolute stereochemistry for both isolated diols was confirmed by the application of Mosher esters methodology. For the novel synclinal 1,2-diol, its structure was confirmed as (−)-(1S,2R,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol, which displayed a stronger antifungal activity against Crytococcus neoformans (MIC = 31.25 μg/ml; 184 μM) than the trans-diaxial 1,2-diol (2) which corresponded to the (+)-(1S,2S,4R) isomer (MIC = 250 μg/ml; 1470 μM) probably the most frequently distributed stereoisomer in volatile oils. The natural occurrence of 1 and 2 is being reported for the first time.
- Published
- 2020
39. Sources and Fate of Water Contaminants in Roads
- Author
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Folkeson, Lennart, Bækken, Torleif, Brenčič, Mihael, Dawson, Andrew, Frančois, Denis, Kuřímská, Petra, Leitão, Teresa, Ličbinský, Roman, Vojtěšek, Martin, Ansal, Atilla, editor, and Dawson, Andrew, editor
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- 2009
- Full Text
- View/download PDF
40. Does Disease Activity Influence the Levels of Uric Acid in Psoriatic Arthritis?
- Author
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Felipe Luis Silva Rosa, Julia Miguel Leitão, Bruna Burko Rocha Chu, João Matheus Tussolini Marcon, Sérgio Cândido Kowalski, Ana Cláudia Thomaz, João Pedro Villela Veiga Pereira da Cunha, Letícia Eduarda de Arruda Prado, and Valderílio Feijó Azevedo
- Subjects
medicine.medical_specialty ,business.industry ,medicine.disease ,Gastroenterology ,Disease activity ,chemistry.chemical_compound ,Psoriatic arthritis ,Rheumatology ,chemistry ,Internal medicine ,Psoriasis ,medicine ,Chronic renal insufficiency ,Uric acid ,Hyperuricemia ,Metabolic syndrome ,business ,Leflunomide ,medicine.drug - Abstract
Background: Hyperuricemia is not only associated with the development of gout but also with renal and vascular dysfunction. The prevalence of this condition has already been studied in psoriasis, but there are a few studies that have been carried out in psoriatic arthritis (PsA). Some studies have shown an association with metabolic syndrome, while others with the extent of cutaneous involvement, but there are no studies that have evaluated the disease activity with compound indexes. Objective: The aim of the study was to determine if disease activity, measured by different composite scores, influences the levels of uric acid. Method: This was a cross-sectional, observational study, which included 52 PsA patients. Clinical assessments included dactylitis, tender and swollen joint counts, Psoriasis Area and Severity Index, Leeds Enthesis Index, Minimal Disease Activity and Disease Activity for Psoriatic Arthritis. Hyperuricemia was defined as serum uric acid levels ≥ 6mg/dL in females and ≥ 7mg/dL in males. Results: Among the 52 included patients, 55.76% were female. The mean age was 54.9 ± 11.6 years. Hyperuricemia occurred in 26.92%. Demographic data, diet, comorbidities and medication were similar between patients with and without hyperuricemia. Patients with hyperuricemia had higher waist circumference (p Conclusion: This study supports the notion that, in PsA, hyperuricemia is more related to metabolic factors than to disease activity.
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- 2021
41. Chemical pretreatment of sugarcane bagasse with liquid fraction recycling
- Author
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Emmanuel Damilano Dutra, Rômulo Simões Cezar Menezes, Íthalo Barbosa Silva de Abreu, Everardo Valadares de Sá Barretto Sampaio, Fernanda Leitão Vaz, Jennyfer da Rocha Lins, Bárbara Ribeiro Alves Alencar, Esteban Espinosa Vidal, and Ester Ribeiro
- Subjects
060102 archaeology ,Renewable Energy, Sustainability and the Environment ,Chemistry ,020209 energy ,Sodium ,Lignocellulosic biomass ,chemistry.chemical_element ,06 humanities and the arts ,02 engineering and technology ,chemistry.chemical_compound ,Hydrolysis ,Enzymatic hydrolysis ,0202 electrical engineering, electronic engineering, information engineering ,Lignin ,0601 history and archaeology ,Hemicellulose ,Hydrogen peroxide ,Bagasse ,Nuclear chemistry - Abstract
Pre-treating lignocellulosic biomass is a major technological challenge. Recycling the liquid fraction may reduce chemical inputs and water use but may have lower efficiency. Seven chemical pre-treatments of sugarcane bagasse were compared: four acids (sulfuric, citric, phosphoric, and oxalic), two alkaline (sodium and calcium hydroxides) and an oxidative (alkaline hydrogen peroxide). The liquid fractions resulting from these pre-treatments were reused up to five times. After each pre-treatment cycle, the solid fraction was hydrolyzed with Celluclast 1.5L enzyme in a 1:10 solid-liquid ratio. Sulfuric and oxalic acids solubilized 80% of the hemicellulose over the cycles. Sodium and calcium hydroxides and hydrogen peroxide removed lignin until the fourth cycle. About 70% of lignin were removed with alkaline hydrogen peroxide. This pre-treatment lead to the highest glucose release after the enzymatic hydrolysis, above 50% in the three cycles analyzed. The best efficiency in enzymatic hydrolysis followed the order H2O2-alkaline > NaOH > oxalic acid > phosphoric acid > H2SO4 > citric acid > Ca (OH)2. With the recycling, more than 62% in reagents used in the pre-treatment of sugarcane bagasse were saved, enabling an economy in the costs at this stage of the process.
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- 2021
42. Response to stress induced by different potentially toxic elements (As, Cd, Cu and Na) in rapeseed leaves
- Author
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Miguel P. Mourato, Luisa Louro Martins, Joana R. Sales, and Inês Leitão
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biology ,Physiology ,Chemistry ,Brassica ,food and beverages ,Plant physiology ,Cell Biology ,Plant Science ,Glutathione ,APX ,biology.organism_classification ,Metal ,Salinity ,chemistry.chemical_compound ,visual_art ,Chlorophyll ,Genetics ,visual_art.visual_art_medium ,Metalloid ,Food science ,Ecology, Evolution, Behavior and Systematics - Abstract
The main objective of this work was to study the effect of different potentially toxic elements (PTE) in the same experimental conditions in leaves of Brassica napus L. plants. The stress was induced by an essential heavy metal (Cu), a non-essential heavy metal (Cd), a metalloid (As) and salinity (NaCl). Plants were able to grow in all the stressful conditions, but with lower biomass in the NaCl study and with chlorophyll levels being more affected in Cu and Cd stresses. Globally, the enzymatic antioxidative defense was not strongly activated except for the salinity study, where the activities of SOD, CAT and APX were induced. This shows that other defense mechanisms are active in the Cd and Cu stress and the increase in S uptake in these experiments suggest the involvement of glutathione and phytochelatins. The homeostasis of essential elements was differentially affected, although a reduction of Fe content was detected in all cases.
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- 2021
43. Water quality assessment and geochemical processes in the unconfined coastal Boa Viagem Aquifer, Recife, NE Brazil
- Author
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Thyego R. Silva, Tiago Martins, Mariucha Maria C. Lima, Teresa E. Leitão, and Mateus Souza Cezar de Albuquerque
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Hydrology ,Wet season ,chemistry.chemical_compound ,geography ,geography.geographical_feature_category ,Wastewater ,Nitrate ,chemistry ,Facies ,Alluvium ,Aquifer ,Water quality ,Groundwater - Abstract
A hydrochemical study was conducted on the Quaternary Aquifer, in Recife, Brazil. Groundwater samples were collected in March–April 2015, at the beginning of the rainy season. Conventional graphics, ionic ratios, saturation indices, GIS mapping, and geostatistical and multivariate statistical analyses were used to water quality assessment and to characterize the main hydrochemical processes controlling groundwater’s chemistry. Q-mode hierarchical cluster analysis separated the samples into three clusters and five sub-clusters according to their hydrochemical similarities and facies. Principal Component Analysis (PCA) was employed to the studied groundwater samples where a three-factor model explains 80% of the total variation within the dataset. The PCA results revealed the influence of seawater intrusion, water-rock interaction, and nitrate contamination. The physico-chemical parameters of ~30% groundwaters exceed the World Health Organization (WHO) guidelines for drinking water quality. Nitrate was found at a concentration >10 mg NO3−/L in ~21% of the wells and exceeded WHO reference values in one. The integrated approach indicates the occurrence of the main major hydrogeochemical processes occurring in the shallow marine to alluvial aquifer as follow: 1) progressive freshening of remaining paleo-seawater accompanying cation exchange on fine sediments, 2) water-rock interaction (i.e., dissolution of silicates), and 3) point and diffuse wastewater contamination, and sulfate dissolution. This study successfully highlights the use of classical geochemical methods, GIS techniques, and multivariate statistical analyses (hierarchical cluster and principal component analyses) as complementary tools to understand hydrogeochemical processes and their influence on groundwater quality status to management actions, which could be used in similar alluvial coastal aquifers.
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- 2021
44. Purification of Alkaloids by Countercurrent Chromatography
- Author
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Carla Monteiro Leal, Rogelio Pereda-Miranda, Gilda Guimarães Leitão, and Simony C. Mendonça
- Subjects
Matrix (chemical analysis) ,chemistry.chemical_compound ,Chloroform ,Countercurrent chromatography ,Chromatography ,chemistry ,Countercurrent exchange ,Extraction (chemistry) ,chemistry.chemical_element ,Methanol ,General Pharmacology, Toxicology and Pharmaceutics ,Nitrogen ,Dichloromethane - Abstract
Alkaloids are nitrogen-containing compounds of the secondary metabolism of plants and microorganisms, which can also be found in animals, insects, and marine organisms. Because of the presence of one or more nitrogen atoms in the molecule, these compounds can form salts in the presence of acids, which are soluble in water and not in organic solvents. This characteristic is useful for their extraction from the matrix source and is explored in liquid–liquid partitioning techniques like countercurrent chromatography. Solvent systems used in classic purifications of alkaloids by this separation technique consist of an organic solvent such as chloroform or dichloromethane and a water buffer where the pH varies along the purification. The addition of other organic solvents like methanol and other alcohols to the solvent system is discussed, as well as the use of less polar systems. Recently developed techniques in countercurrent separations, such as pH-zone-refining countercurrent chromatography, are also presented. This comprehensive review covers the early work on separation of alkaloids with the Craig and Post apparatus and the evolution in the use of modern equipment for the isolation and purification of this class of bioactive natural products.
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- 2021
45. Sequential hydrogen and methane production using the residual biocatalyst of biodiesel synthesis as raw material
- Author
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Mariana de Oliveira Faber, Erika C.G. Aguieiras, Viridiana Santana Ferreira-Leitão, Stella Buback dos Santos, Marta A. P. Langone, Denise M. G. Freire, and Ana Cristina A. Collaço
- Subjects
Biodiesel ,Renewable Energy, Sustainability and the Environment ,Chemistry ,food and beverages ,Energy Engineering and Power Technology ,02 engineering and technology ,Dark fermentation ,Raw material ,Xylose ,010402 general chemistry ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,01 natural sciences ,0104 chemical sciences ,Anaerobic digestion ,chemistry.chemical_compound ,Fuel Technology ,Biodiesel production ,Fermentation ,Food science ,0210 nano-technology ,Hydrogen production - Abstract
Residual Fermented Solid (RFS) is the used biocatalyst obtained after enzymatic biodiesel production carried out applying the fermented solid (FS) with lipase activity. Approximately 350 g of RFS are generated for each liter of biodiesel produced from palm residues fermented solid. In this study, this residue was used for the first time as a raw material for biological hydrogen production through dark fermentation and sequential application of the hydrogen production liquid waste (HPLW) for methane obtainment via anaerobic digestion. The RFS was composed mostly of oils and fats (60% wt.%), and carbohydrates, such as mannose, glucose, and xylose. Hydrogen yield reached 239 ± 44 mL H2/L after 24 h of fermentation using 31 gRFS/L at the beginning of the process. Additionally, 204 ± 13 mL CH4/g COD were produced through the anaerobic digestion of HPLW, which represented 61% of efficiency.
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- 2021
46. A facile ultrasound-assisted synthesis of methyl 2,3-O-isopropylidene-β-D-ribofuranoside from D-ribose and its use to prepare new 1,2,3-triazole glycoconjugates
- Author
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Sabrina Baptista Ferreira, Marcio Roberto H. Donza, Rafael Lisboa Leitão, Victor Salarolli de Carvalho, Gabriel Alves Souto de Aquino, Carlos R. Kaiser, and Tereza Cristina Santos Evangelista
- Subjects
chemistry.chemical_classification ,1,2,3-Triazole ,business.industry ,Glycoconjugate ,education ,Organic Chemistry ,Ultrasound ,Triazole ,Carbohydrate ,Biochemistry ,Combinatorial chemistry ,humanities ,chemistry.chemical_compound ,chemistry ,Ribose ,Energy source ,business ,Derivative (chemistry) - Abstract
The conversion of D-ribose into its 2,3-O-isopropylidene derivative using ultrasonic irradiation is described. The ultrasound proved to be an excellent alternative as the energy source for the reac...
- Published
- 2021
47. Antioxidative response of lettuce (Lactuca sativa) to carbamazepine-induced stress
- Author
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Luisa Louro Martins, Luísa C. Carvalho, Maria Conceição Oliveira, Maria Matilde Marques, Inês Leitão, and Miguel P. Mourato
- Subjects
Health, Toxicology and Mutagenesis ,Glutathione reductase ,Lactuca ,010501 environmental sciences ,medicine.disease_cause ,01 natural sciences ,Antioxidants ,Superoxide dismutase ,chemistry.chemical_compound ,Ascorbate Peroxidases ,medicine ,Environmental Chemistry ,Food science ,0105 earth and related environmental sciences ,chemistry.chemical_classification ,Reactive oxygen species ,biology ,Superoxide Dismutase ,food and beverages ,Hydrogen Peroxide ,General Medicine ,Lettuce ,Catalase ,biology.organism_classification ,Malondialdehyde ,Pollution ,Plant Leaves ,Oxidative Stress ,Carbamazepine ,chemistry ,biology.protein ,Oxidative stress ,Peroxidase - Abstract
Carbamazepine (CBZ) is a widely used anti-epileptic drug that has been detected in wastewaters from sewage treating plants and thus appears in rivers, streams and other water bodies. As plants can absorb this compound, it can also appear in edible plants like lettuce, entering the food chain. In this study, the effect of carbamazepine in lettuce plants grown in hydroponic solution is analyzed. CBZ was detected both in roots and in leaves and is shown to induce oxidative stress. Hydrogen peroxide levels increased both in leaves and in roots while malondialdehyde increased only in leaves. Regarding the activity of antioxidative enzymes in the leaves, it is shown that superoxide dismutase (SOD), catalase (CAT), guaiacol peroxidase (GPOD) and ascorbate peroxidase (APX) have a relevant role in quenching reactive oxygen species induced by oxidative stress. In roots, the only enzymes that showed increased activity were CAT, GPOD and glutathione reductase (GR). Ascorbate and glutathione also appear to have an important role as antioxidants in response to increased concentrations of carbamazepine. Although the roots are in direct contact with the contaminant, the leaves showed the strongest oxidative effects.
- Published
- 2021
48. Antioxidant Activity and Stable Free Radicals in Robusta Green Coffee Genotypes/ Atividade antioxidante e Radicais Estáveis Livres em Genótipos de Café Verde Robusta
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A. E. Leitão, Marcio Solino Pessoa, Carlos Alexandre Pinheiro, Paulo Eduardo Narcizo de Souza, Paulo C. Morais, P. S. Moscon, Fábio Luiz Partelli, Maria de Fátima Pereira dos Santos, and A. L. Alves
- Subjects
Marketing ,Pharmacology ,Organizational Behavior and Human Resource Management ,Horticulture ,Antioxidant ,Chemistry ,Strategy and Management ,medicine.medical_treatment ,Radical ,Drug Discovery ,medicine ,Pharmaceutical Science ,Green coffee - Published
- 2021
49. Three-way calibration using PARAFAC and MCR-ALS with previous synchronization of second-order chromatographic data through a new functional alignment of pure vectors for the quantification in the presence of retention time shifts in peak position and shape
- Author
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Santiago Andres Bortolato, Joaquim C.G. Esteves da Silva, Juan Manuel Lombardi, João M.M. Leitão, Sarmento J. Mazivila, and Ricardo N.M.J. Páscoa
- Subjects
Chromatography ,Chemistry ,Elution ,010401 analytical chemistry ,Bilinear interpolation ,Array data type ,Basis function ,02 engineering and technology ,021001 nanoscience & nanotechnology ,01 natural sciences ,Biochemistry ,Synchronization ,Data matrix (multivariate statistics) ,0104 chemical sciences ,Analytical Chemistry ,Position (vector) ,Calibration ,Environmental Chemistry ,0210 nano-technology ,Spectroscopy - Abstract
In the present contribution is shown the application of the recently developed functional alignment of pure vectors (FAPV) as a proper algorithm to align second-order chromatographic data with severe retention time shifts in peak position and shape. FAPV decomposed a three-way chromatographic data array in their three modes (sample, spectral and elution time vectors), using a basis function to pre-process the non-linear mode (elution time) and then it aligns the functionalized pure vectors and reshapes the transformed vectors into matrices, restoring the trilinearity of second-order chromatographic data. The well-aligned three-way chromatographic data array is then successfully decomposed by advanced chemometric models such as parallel factor analysis (PARAFAC) and multivariate curve resolution − alternating least-squares (MCR-ALS) with the trilinearity constraint. The performance of this innovative analytical strategy based on PARAFAC and MCR-ALS with previous synchronization of data through FAPV algorithm is properly evaluated using real second-order chromatographic data with multiple artifacts, i.e., shifts in peak position and shape for the simultaneous quantification of amoxicillin and potassium clavulanate in commercial medicinal drugs. The present contribution compares some analytical results achieved by: (1) the usual MCR-ALS as a bilinear model applied in augmented data matrix without previous synchronization and with interval correlation optimized shifting (ICOSHIFT) and FAPV and (2) trilinear models using PARAFAC with ICOSHIFT and FAPV and trilinearity constraint in MCR-ALS with FAPV. Available results suggest that these strongly shifted and warped elution time profiles cause for the loss of trilinearity, which can be adequately restored by FAPV algorithm. PARAFAC performed a successful trilinear decomposition of three-way chromatographic data array with law values of relative prediction error (REP) in the order of 1.34–1.42% in both analytes.
- Published
- 2021
50. Chaptalia nutans Polak: Root Extract Has High In Vitro Antioxidant Activity and Low Cytotoxicity In Vivo
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Vanusa Manfredini, Letiele Bruck de Souza, Jefferson Enderle, Elton Luis Gasparotto Denardin, Thainara de Andrade Fortes, Rafael Roehrs, and Amanda Leitão Gindri
- Subjects
Nutrition and Dietetics ,Antioxidant ,biology ,Traditional medicine ,medicine.medical_treatment ,Medicine (miscellaneous) ,biology.organism_classification ,medicine.disease_cause ,Terpene ,chemistry.chemical_compound ,Paraquat ,chemistry ,Toxicity ,medicine ,Bioassay ,Allium ,Artemia salina ,Genotoxicity - Abstract
The Asteraceae family is widely known for its therapeutic, aromatic, and nutritional properties. Chaptalia nutans (C. nutans), a member of the family, is widely used in folk medicine in southern Brazil. In this study, we aim to assess compounds present in root extracts of C. nutans, and evaluate their antioxidant capacity and toxicity. To determine the chemical composition of the extract, was performed through Liquid Chromatography coupled with Mass Spectroscopy. Antioxidant capacity, toxicity (Artemia salina biosassay), cytotoxicity, genotoxicity (Allium cepa test), and neurotoxicity (Drosophila melanogaster model) were evaluated. A large number of bioactive phytoconstituents were determined to be present, such as alkaloids, coumarins, flavonoids, terpenes, and especially phenolic compounds, which may explain the antioxidant capacity of the extract. Extracts had the capacity to protect cells from protein and lipid damage, and inhibit the formation of oxygen radicals. The A. salina bioassay revealed that extracts were only slightly toxic. In A. cepa, cells exposed to 1.5 mg/mL extract were protected against chromosomal damage caused by glyphosate, and had mitotic index values that were reduced by 49%. A concentration of 10 mg/mL extract did not kill flies, and when coadministered with paraquat (PQ) (52.5%) produced a mortality rate of only 18.75%. These findings indicated that the extract had the potential to protect against PQ-induced neurotoxicity. Taken together, these data reveal for the first time that the root extract of C. nutans is a rich source of natural antioxidants. The extract may be useful in the food and pharmaceutical industries.
- Published
- 2021
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