FF - Artigos publicados em periódicos

URI Permanente para esta coleçãohttp://200.137.215.59//handle/ri/1420

Navegar

Agora exibindo 1 - 20 de 294

Quinazolinones as bioisosteres of Naphthoquinones: a path to potent HsDHODH inhibitors with optimized properties
(2025) Godoi, Bruna Fleck; Bueno, Jéssica Damasceno; Silva, Wemenes José Lima; Purificação, Aline Dias da; Leite, Pedro Ivo Palacio; Santos, Thiago dos; Freitas, Murillo; Silva, Daniel Gedder; Silva, Tais C.; Moraes, Josué de; Andrade, Carolina Horta
Human dihydroorotate dehydrogenase (HsDHODH) is a key enzyme in pyrimidine biosynthesis and a target for antiviral therapies against RNA viruses like SARS-CoV-2. Building on prior quinone-based inhibitors, we explored quinazolinones as bioisosteric replacements to reduce cytotoxicity and off-target effects. Through structure-based design, we synthesized quinazolinone derivatives aimed at maintaining critical binding interactions. First-generation compounds showed moderate HsDHODH inhibition (up to 60% at 250 μM), with compound 10c having an IC50 of 25 μM. Using computational modeling, we optimized second-generation derivatives, with 10e showing the highest potency (IC50 = 0.59 ± 0.03 μM) and significant antiviral activity against SARS-CoV-2 (EC50 = 0.15 ± 0.03 μM). These compounds demonstrated improved selectivity compared to naphthoquinone analogs, though challenges with aqueous solubility remain. These results highlight quinazolinones as promising scaffolds for further development of anti-SARS-CoV-2 therapies targeting HsDHODH.
Perfil eletroanalítico de nutracêuticos antioxidantes: implicações para a saúde pública
(2025) Caetano, Marcos Pereira; Gil, Eric de Souza; Nielson, Sylvia Escher de Oliveira; Batista, Érica Aparecida; Macêdo, Isaac Yves Lopes de; Pereira, Marx Osório Araújo; Gornattes, Huagner Rodrigues; Gil, Henric Pietro Vicente
Objective: This study aimed to evaluate different samples of nutraceuticals most recommended by pharmacists in pharmacies and drugstores in Goiânia, Goiás, Brazil. Subsequently, we determined quality aspects of the major products using electroanalytical techniques. Methods: Twelve commercial samples of nutraceutical capsules (3 different brands of each type) were evaluated using voltammetric techniques. Results: The results revealed distinct voltammetric profiles for the samples of Mulberry (Morus nigra), Turmeric (Curcuma longa), Green Tea (Camellia sinensis), and Guarana (Paullinia cupana), with oxidation peaks around Epa1 0.2 V. A significant difference in concentration was identified among the samples (I, II, and III). It is noteworthy that all samples are marketed with the claim of being "identical," which contrasts with the findings.
Evaluation of caffeine content in carbonated and energy drinks using a sensor-modified polyaniline–silver nanoparticles
(2025) Van der Horst, Charlton; Adonis, Shaheeda; Gil, Eric de Souza; Somerset, Vernon
The detection of caffeine (CAF) is essential due to its widespread use and potential health impacts, including effects on sleep and anxiety. In this study, polyaniline (PANI) and PANI doped with silver nanoparticles (AgNPs) were synthesized to effectively detect CAF in beverage samples. The chemically synthesized polymers were characterized using transmission electron microscopy (TEM), scanning electron microscopy (SEM), and electrochemical impedance spectroscopy (EIS) to investigate their morphological and electrochemical properties. Differential pulse voltammetry (DPV) and cyclic voltammetry (CV) were employed to determine CAF concentrations in caffeinated beverages. SEM results revealed that PANI and PANI–Ag films are spherical, with an average diameter of ~100 nm, while TEM analysis showed AgNPs within the PANI–Ag matrix had an average particle size of 5–10 nm. Optimized experimental conditions yielded a linear response for CAF concentrations ranging from 10 to 90 μM, with an R2 value of 0.9935. The detection limit for the PANI–Ag electrochemical sensor was determined to be 0.38 µM (n = 3). This sensor is important for monitoring CAF levels in beverages, contributing to public health awareness and safety, with electrochemical analysis aligning well with labeled values.
Fragment libraries from large and novel synthetic compounds and natural products: a comparative chemoinformatic analysis
(2025) Ramírez-Cid, Verónica; Chávez-Hernández, Ana Luisa; Sánchez López, Osvaldo; Novais, Raul Marques; Price, Temitayo Omowumi Alegbejo; Alves, Kamilla Moraes; Silva, Wemenes José Lima; Emery, Flavio da Silva; Andrade, Carolina Horta; Medina-Franco, José L.
We report comprehensive fragment libraries obtained from large natural product databases and compare their chemical space coverage and diversity with those of synthetic fragment libraries. Specifically, we obtained 2,583,127 fragments derived from the recently updated collection of open natural product (COCONUT) data set with more than 695,133 unique (nonduplicate) natural products and 74,193 fragments derived from the Latin America Natural Product Database (LANaPDB) with 13,578 unique natural products from Latin America. The content, chemical space coverage, and chemical diversity of the natural product libraries were compared to the recently developed CRAFT library, which contains 1214 fragments based on distinct heterocyclic scaffolds and natural product-derived chemicals. The fragment libraries herein obtained and curated are freely available at https://github.com/DIFACQUIM/Fragment-libraries-from-large-synthetic-compounds-and-natural-products-collections.git.
Crystallographic structure of human dihydroorotate dehydrogenase in complex with the natural product inhibitor lapachol
(2025) Purificação, Aline Dias da; Benz, Laila Sofie; Silva, Wemenes José Lima; Emery, Flavio da Silva; Andrade, Carolina Horta; Weiss, Manfred S.; Nonato, Maria Cristina
Dihydroorotate dehydrogenase (DHODH) is a key enzyme in the pyrimidine biosynthesis pathway, playing a critical role in cellular processes and offering therapeutic potential for antiviral, antineoplastic, and autoimmune treatments. Human DHODH (HsDHODH) utilizes ubiquinone as a second substrate, positioning its quinone-binding site as a promising target for inhibitor development. Lapachol, a natural naphthoquinone, has gained prominence as a valuable natural product for the discovery of novel therapeutic agents, thanks to its wide range of biological activities. In this study, we present the first crystal structure of HsDHODH in complex with lapachol, providing valuable insights into the interactions between this natural product and the enzyme. The structure reveals key binding interactions that mediate lapachol’s affinity for HsDHODH and validates previously proposed computational models. Complementary molecular dynamics simulations further highlight the stability of the complex and the importance of water-mediated interactions in ligand binding. These findings enhance our understanding of how naphthoquinone derivatives, such as lapachol, interact with class 2 DHODHs, offering a foundation for the design of optimized inhibitors for therapeutic applications. By integration of structural and computational data, this study contributes to the rational design of novel HsDHODH inhibitors, paving the way for future exploration of lapachol and its derivatives in drug discovery.
Potencial alelopático do extrato de folhas de Spondias purpurea L. (Anacardiaceae) sobre a germinação de sementes de Lactuca sativa
(2025) Dias, Andressa Lanuce Silva; Carvalho, Anna Luiza Silva; Soares, Leticya Alves; Santos, Adelair Helena dos; Romano, Camila Aline; Paula, José Realino de
Spondias is known in Brazil mainly for fruit species which have been studied on different biopotentials and applications of their phytoconstituents. This study aimed to investigate the allelopathic potential of the aqueous extract of Spondias purpurea using the experimental model of Lactuca sativa (lettuce). For chemical characterization, prospecting was performed using classical pharmacognosy techniques. For the bioassay, an aqueous extract at 0.1 g/mL was prepared. A total of 20 L. sativa seeds were exposed to a dilution of 1000 to 10 μg/mL. The seeds were observed for five days and the germinated individuals were counted daily. The presence of phenolic compounds such as flavonoids and tannins. The aqueous extract of the leaves of S. purpurea was efficient in preventing the germination of L. sativa seeds, as well as reducing root and hypocotyl growth by approximately 90%. These results suggest that the aqueous extract of S. purpurea has promising allelopathic potential.
Avaliação do perfil cromatográfico, atividade antimicrobiana e antioxidante das partes aéreas de Marsypianthes chamaedrys (Lamiaceae)
(2025) Paula, José Realino de; Barreto, Rayka Muriele de Sousa; Chaul, Luiza Toubas; Romano, Camila Aline; Abrão, Fernando Yano; Miranda, Julianna Caruliny de; Alves, Virgínia Farias; Fiuza, Tatiana de Sousa
Marsypianthes chamaedrys (Vahl.) is an herb popularly used for vaginal discharge, uterine inflammation, and mycosis. This study aimed to obtain the crude ethanol extract and fractions of the aerial parts of M. chamaedrys, collected in Hidrolândia, Goiás; to carry out thin layer chromatography (TLC); and to evaluate the antioxidant and antimicrobial activities. Antioxidant activity was measured using the DPPH (2, 2-difenil-1-picrilhidrazil) method. Antimicrobial activity was measured using the broth microdilution method. TLC analysis indicated the presence of flavonoids, terpenes, and anthraquinones in the ethyl acetate fraction; terpenes and flavonoids in the dichloromethane fraction; and saponins in the aqueous fraction. Very strong to moderate antioxidant activity was found in the ethyl acetate, dichloromethane, and aqueous fractions (EC50 from 7.57 μg mL-1 to 47.51 μg mL-1). The crude extract and dichloromethane fraction showed activity against Bacillus cereus, Escherichia coli, and Staphylococcus typhimurium. The hexane, dichloromethane, and ethyl acetate fractions showed antifungal activity against Cryptococcus gattii, Candida parapsilosis, Cryptococcus neoformans, Candida albicans, Candida glabatra, and Candida krusei (MIC = 16 to 256 μg mL-1). The antimicrobial activity justifies the popular use of this species and encourages new studies to explore its pharmaceutical potential. This work represents the first description of the antimicrobial activity of M. chamaedrys.
Role of phospholipids on drug dissolution in polymer solid dispersions prepared by hot-melt extrusion
(2025) Carvalho, Danilo Monteiro de; Lourenço, Ana Carolina Mendes; Moreira, Guilherme Gomes; Kasbaum, Fritz Eduardo; Lima, Ana Luiza; Cunha Filho, Marcilio; Taveira, Stephânia Fleury; Marreto, Ricardo Neves
The development of solid dispersions (SDs) has gained increased attention in recent decades, leading to successful delivery systems for various marketed products. In general, combinations of polymers and lipids in SD formulations have shown promising results in reducing the disadvantages associated with the isolated use of hydrophilic excipients such as copovidone (COP) and Soluplus (SLP). This study investigated the influence of the phospholipid (soy phosphatidylcholine, PPC, 15 and 30%, w/w) on the dissolution performance of drug-polymer SDs prepared by hot melt extrusion. A low-solubility model drug (ritonavir, RTV) was selected for the study. A complete drug amorphization was observed for all extrudates despite the PPC presence. However, PPC improved the process yield without requiring a plasticizer. Morphology and particle size analyses revealed the effects of PPC addition in the aqueous dispersions prepared from SDs, denoting a higher polymer–lipid interaction in COP dispersions and the formation of micrometric structures in both COP and SLP dispersions. COP-based SDs produced almost instantaneous increases in RTV dissolution of up to 7-fold, while SLP-based SDs achieved progressive increases over 5-fold. Importantly, PPC incorporation in COP-based SDs did not have an apparent effect on RTV dissolution but significantly improved drug dissolution from the SLP-based SDs. In summary, the role of the lipid mainly depends on the drug-polymer interactions and lipid concentration. Adding phospholipids enables the thermal process without needing other adjuvants.
Spray-dried Celtis iguanaea (Jacq.) Planch (Cannabaceae) extract: building evidence for its therapeutic potential in pain and inflammation management
(2025) Ribeiro, Kátia Regina; Silva, Rúbia Bellard e; Rodrigues, João Paulo Costa; Coimbra, Mairon César; Pereira, Laura Jéssica; Alves, Emmilly de Oliveira; Oliveira, Flávio Martins de; Pereira, Marx Osório Araújo; Gil, Eric de Souza; Carollo, Carlos Alexandre
Celtis iguanaea, widely used in Brazilian folk medicine, is known for its analgesic and anti-inflammatory properties. This study evaluated the in vitro antioxidant capacity and the in vivo antinociceptive and anti-inflammatory mechanisms of the standardized spray-dried Celtis iguanaea hydroethanolic leaf extract (SDCi). Phytochemical analysis showed that SDCi contains 21.78 ± 0.82 mg/g polyphenols, 49.69 ± 0.57 mg/g flavonoids, and 518.81 ± 18.02 mg/g phytosterols. UFLC-DAD-MS identified iridoid glycosides, p-coumaric acid glycosides, flavones, and unsaturated fatty acids. Antioxidant assays revealed an IC50 of 301.6 ± 38.8 µg/mL for DPPH scavenging and an electrochemical index of 6.1 μA/V. In vivo, SDCi (100–1000 mg/kg, p.o) did not impair locomotor function (rotarod test) but significantly reduced acetic acid-induced abdominal writhing and both phases of the formalin test at higher doses (300 and 1000 mg/kg). The antinociceptive effects were independent of α-2 adrenergic receptors. SDCi also increased latency in the hot-plate test and reduced paw edema in the carrageenan model, accompanied by decreased IL-1β and increased IL-10 levels. Histological analysis showed a 50% reduction in inflammatory cell infiltration. These findings support SDCi as an effective anti-inflammatory and antinociceptive phytopharmaceutical intermediate, with potential applications in managing pain and inflammation.
Effects of curcumin on functional capacity and pulmonary function in children and adolescents with cystic fibrosis: a feasibility study
(2025) Albuquerque, Izabela Zibetti de; Costa, Lusmaia Damaceno Camargo; Moura, Rayssa Barbary Pedroza; Taveira, Stephânia Fleury; Marreto, Ricardo Neves; Costa, Paulo Sérgio Sucasas da
This study aims to evaluate the efficacy of curcumin complexed with γ-cyclodextrin on pulmonary function and functional capacity in children and adolescents with Cystic Fibrosis (CF). A double-anonymized, randomized, placebo-controlled clinical trial was conducted involving children and adolescents with CF at a referral center. Over a 6-week period, the control group received a placebo while the intervention group received curcumin complex with γ-cyclodextrin (500 mg). Functional capacity was assessed usingthe 6-minute Walk Test (6MWT), and pulmonary function was evaluated through spirometry. The study enrolled eight patients (four adolescents in each group). The predominant mutation among the groups was heterozygous for ΔF508. There was no change in pulmonary function after the treatment period. The variation in 6MWT showed a trend of increase in the curcumin group (13.5%) compared to the control (8.3%), but it did not reach statistical significance. The preliminary results of this study demonstrated a relevant clinical impact on functional capacity measured by the 6MWT in favor of curcumin use in children and adolescents with CF.
Liquid chromatographic separation and FT-ICR MS of crude oils: insights from polar fractions
(2025) Lima, Nerilson Marques; Machado, Hugo Gontijo; Lima, Gesiane da Silva; Silva Junior, Joveilton Batista da; Cardoso, Juliene Aljahara Sousa; Santos, Gabriel Franco dos; Chaves, Andrea Rodrigues; Silva, Rodrigo Cabral da; Ferreira, Alexandre de Andrade; Vaz, Boniek Gontijo
Molecular characterization of petroleum and reservoir fluids is fundamental to the oil exploration and production sector. However, the complexity of the sample has been an analytical challenge, requiring modern analysis techniques such as ultrahigh-resolution mass spectrometry techniques integrated with chromatographic separation systems. The focus of this study was the detailed molecular characterization of the polar fraction of crude oils, supported by chromatographic fractionation to improve class identification and support geochemical interpretation. Chromatographic fractionations were conducted using H-MPLC, followed by characterization using ESI (±) and APPI (+) FT-ICR MS. Polar compounds from ten Brazilian crude oils were separated into six fractions (low polarity-LP, low medium polarity-LMP, high medium polarity-HMP, high polarity-HP, basic-BAS, acidic-ACD). Molecular profiles through ESI (±) and APPI (+) FT-ICR-MS allowed for the characterization of geochemical processes, formation mechanisms, and the discrimination of oils based on their origin classification and thermal evolution.
Interfacial material in water-in-oil emulsions characterized by ESI(−) FT-ICR MS: evaluation of the influence of centrifugation conditions
(2025) Souza, Luciara Costa de; Souza, Lindamara Maria de; Barros, Eliane Valéria de; Carvalho, Emily Azevedo de; Petroni, Marcos Henrique Oliveira; Folli, Gabriely Silveira; Sad, Cristina Maria dos Santos; Franco, Danielle Mitze Muller; Dufrayer, Gabriel Henry Morais; Vaz, Boniek Gontijo
Emulsion represents a major challenge in the petroleum industry due to its stabilization promoted by polar fractions. In this study, interfacial material (IM) residues were isolated from a naturally emulsified crude oil using a centrifugation-based methodology under different times and temperature conditions. The recovered interfacial materials were characterized by negative-ion electrospray Fourier transform ion cyclotron resonance mass spectrometry (ESI(−) FT-ICR MS). Results showed that longer centrifugation times and higher temperatures reduced the abundance of nitrogen species while enriching oxygenated classes, particularly naphthenic acids and mixed heteroatomic species. Highly aromatic compounds migrated into NO2[H] and NO3[H] classes, whereas both linear and aromatic naphthenic acids, O2[H] class, became more prominent. Van Krevelen diagrams confirmed the increase in aromaticity of the IMR compared with the original emulsion. These findings highlight the role of centrifugation parameters in modulating the composition of IM and provide new insights into the molecular species responsible for emulsion stability.
Impact of professional/behavioral profile on interpersonal relationships in the corporate environment
(2025) Martins, Ana Carolinne Renovato; Araujo, Stefani Florentino de; Kogawa, Ana Carolina
Introduction: The analysis of the professional's behavioral profile has a relevant influence on the individual's development and the dynamics of relationships between employees in the corporate environment. The increasing interdependence of tasks in today's workplace makes effective interaction skills essential. Consequently, individuals' attitudes and actions impact organizational success, covering aspects such as productivity and performance. Objective: This work reviews classical and contemporary behavioral theories. Literature review/Results: It explores behavioral assessment tools, in addition to their application in optimizing organizational results. Furthermore, personal beliefs and values also play a crucial role in professional behavior. The way an individual perceives their role within the organization, their personal goals and their worldview can directly influence their performance. Conclusion: Therefore, an accurate assessment of the professional/behavioral profile is crucial for the adequate allocation of functions and the productive development of interpersonal relationships in institutions, directly impacting self-knowledge and collaboration, innovation and job satisfaction.
Crude oil mixture resolution by FT-ICR MS and multivariate modeling: quantitative source attribution considering different thermal maturities
(2025) Oliveira, João Victor Ataíde; Roque, Jussara Valente; Franco, Danielle Mitze Muller; Ferreira, Leonardo Matos; Rangel, Mário D.; Lopes, Joelma Pimentel; Rocha, Ygor dos Santos; Vaz, Boniek Gontijo
Quantitative determination of the relative contributions from multiple sources in mixed source crude oils has consistently been posed as a significant challenge in petroleum geochemistry. In this context, this work explores the evaluation of crude oil mixtures using Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) with positive atmospheric pressure photoionization (APPI (+)). Two mixture designs (Plans 1 and 2) were evaluated, involving lacustrine and marine endmembers with moderate and high thermal maturities. Classical petroleomics characterization was combined with multivariate curve resolution-alternating least-squares (MCR-ALS) and partial least-squares (PLS) regression to investigate compositional behavior across these systems. In Plan 1, which involved mixtures of oils with distinct thermal maturity, substantial differences were observed in molecular class distributions. Plan 2, composed of highly mature lacustrine and marine oils, showed more subtle, yet detectable, differences, confirming the role of thermal evolution in shaping class profiles. MCR-ALS successfully recovered pure spectral profiles for both crude oil origins in each design, with Pearson correlation coefficients exceeding 0.97. PLS regression proved to be a robust tool for estimating the lacustrine content in the mixtures. For Plan 1, the model using only hydrocarbon (HC) class variables achieved the best performance, while in Plan 2, the model based on nitrogen-, oxygen-, and sulfur-containing (NOS) compounds provided the most accurate predictions. This study demonstrated the application of different chemometric tools and approaches to understand the behavior of crude oil mixtures with different origins and thermal maturity.
A Cost-effective hybrid method for homogeneous matrix coating in matrix-assisted laser desorption/ionization mass spectrometry imaging using simultaneous spin and spray deposition
(2026) Maciel, Lanaia Ítala Louzeiro; Roque, Jussara Valente; Batista Junior, Almir Custodio; Dufrayer, Gabriel Henry Morais; Balbino, Naará da Silva; Cavalcante, Keilah Valéria Naves; Ferreira Junior, Marcos Divino; Chaves, Andrea Rodrigues; Vaz, Boniek Gontijo
A cost-effective, thin-film spin-coating method for homogeneousmatrix deposition in matrix-assisted laser desorption/ionizationmass spectrometry imaging (MALDI-MSI) is presented. In thismethod, the matrix solution is nebulized directly onto the samplesurface during continuous rotation in the spin coater, enablingsimultaneous spraying and centrifugal spreading for uniform filmformation. Although spin coating produces highly uniform matrixlayers, its widespread adoption in MALDI-MSI is hindered by thehigh cost of commercial instruments. To address this limitation,an in-house spin coater is developed and optimized. A fractionalfactorial design identified flow rate, matrix volume, and rotationspeed as the most critical parameters for achieving uniform depo-sition. Under optimal conditions (60 psi, 10 μL·min1, 400 μL, and10 cm at 35 a.u.), the system produces homogeneous matrix filmsacross entire glass slides. The effectiveness of this integratedspray during spin method is demonstrated by imaging the dis-tinct spatial distributions of key lipids and metabolites in mousebrain, strawberry, and carrot tissues. This work establishes the in-house spin coater as a feasible and robust tool for enhancingreproducibility and data quality in routine MALDI-MSI workflows.
Green method for quantification of clindamycin in capsules by National Environmental Methods Index, Eco-Scale Assessment and Analytical GREEnness Metric
(2025-06) Lustosa, Isadora Alves; Kogawa, Ana Carolina
Clindamycin (CLIN) is an antibiotic derived from lincosamide, produced from Streptomyces lincolnensis. Studies in the literature demonstrate that the evaluation of this drug, although effective, predominantly uses analytical conditions with the use of toxic solvents, which are against the principles of Green Analytical Chemistry (GAC). In this context, the objective was to develop and validate an eco-friendly method by spectrophotometry in the ultraviolet (UV) region for the quantitative evaluation of CLIN in capsules. In addition, the proposed method was evaluated for greenness by the National Environmental Methods Index (NEMI), Ecological Scale Assessment (ESA) and Analytical GREEnness Metric (AGREE). Purified water and ethanol (50:50, v/v), quartz cuvette and wavelength of 318 nm and potassium permanganate as an oxidizing agent were used. The method was linear in the range of 0.5 to 5 µg mL-1 (0.9998), precise (RSD < 5 %); selective through spectral overlap and forced degradation; accurate (99.85%); robust to changes in wavelength and cuvette capacity; content analysis was of 102.55 % and NEMI presented all 4 green quadrants; ESA, score of 79, which characterizes an excellent green analysis; and AGREE score of 0.8, thus characterizing it as a green method through the 12 GAC principles. The method was developed and validated and can be used for quantitative evaluation of CLIN in capsules. Furthermore, the method was considered green through the greenness profiling tools NEMI, ESA and AGREE.
Unlocking PAH Ionization in negative-mode ESI Orbitrap MS using tetramethylammonium hydroxide: a petroleomic strategy
(2025) Aguiar, Deborah Victoria Alves de; Silva, Lidya Cardoso da; Medeiros Júnior, Iris; Gomes, Alexandre de Oliveira; Vaz, Boniek Gontijo
The selective ionization of cyclopentadiene-derived polycyclic aromatic hydrocarbons (PAHs) in complex matrices remains a persistent challenge in direct ionization mass spectrometry, particularly under atmospheric pressure ionization (API) conditions. In this study, tetramethylammonium hydroxide (TMAH) was evaluated as a solvent modifier to enhance the ionization efficiency of PAHs in negative-ion mode using high-resolution Orbitrap MS. A systematic assessment with equimolar mixtures of neutral and acidic model compounds was performed to elucidate the fundamental effects of TMAH on ion suppression, deprotonation mechanisms, and gas-phase ion chemistry. The incorporation of TMAH significantly improved the detection of weakly acidic and neutral PAHs by promoting efficient gas-phase deprotonation, thus overcoming conventional ESI limitations. To demonstrate the method’s analytical robustness, TMAH-assisted ESI was subsequently applied to crude oil samples, enabling the detection of hydrocarbon species otherwise inaccessible under standard conditions, with a particular focus on low-alkylated fluorene derivatives. These results establish a simple and effective strategy for expanding the analytical scope of ESI-MS toward nonpolar and weakly acidic hydrocarbons, offering a valuable tool for the advanced molecular characterization of complex organic mixtures.
Excellent green analysis for quantification of gatifloxacin in eye drops by Eco-Scale Assessment
(2025) Freire, Rafael Lima; Oliveira, Aline Sinzervinch de; Marreto, Ricardo Neves; Kogawa, Ana Carolina
Gatifloxacin (GAT), a fourth-generation fluoroquinolone, is currently marketed primarily in the form of eye drops. The literature shows physical-chemical methods with a predominance of the use of toxic organic solvents, which promote the generation of potentially harmful residues both for the environment and for the operator. The objective was to develop and validate an excellent green method in the visible region for quantification of GAT in eye drops. Purified water and NaOH 0.1 M, as a diluent, and phenolphthalein 1 %, for reaction, at 552 nm were used. The method was linear in the range of 7-12 μg/mL (0.9996), precise (relative standard deviation < 5 %), selective through sample adjuvants, exact (mean recovery of 100.88 %) and robust against changes in wavelength and microplate usage. The content obtained with the proposed method was 98.21 % and is in agreement with the official compendium and other methods described in the literature. The method is a green proposal to quantify GAT in eye drops according to the Eco-Scale Assessment tool.
A green and lean method certified by NEMI, ESA, AGREE, GAPI and BAGI for the analysis of ivermectin in injection solution for veterinary use
(2026) Galvão, Natália Sabina dos Santos; Kogawa, Ana Carolina
The use of antiparasitics, such as ivermectin (IVE), is extremely important to public health and the economy. Quality control and analytical development are necessary to guarantee the efficacy, safety, and quality of medicines. This work covered the development and validation of a green and lean method by UV to quantify IVE in injection solution for veterinary use. UV methodology using ethanol as a diluent, a quartz cuvette and a spectrophotometer at 245 nm were used. In order to bring objectivity in relation to the greenness of the proposed method, 5 tools were used: National Environmental Method Index (NEMI), Eco-Scale Assessment (ESA), Analytical GREEnness Metric (AGREE), Green Analytical Procedure Index (GAPI), and Blue Applicability Grade Index (BAGI). The proposed method was linear in the range of 6-16 µg mL-1, precise (RSD < 5%), selective and indicative of stability by forced degradation, exact (100.07%) and robust against small and deliberate modifications. NEMI showed the 4 green quadrants, GAPI showed predominantly green and yellow quadrants, ESA, AGREE and BAGI showed scores of 93, 0.82 and 65, respectively. The method is an excellent and lean green option for evaluating f inal IVE product. It has an environmentally friendly footprint, which can be advantageously employed by pharmaceutical chemical laboratories worldwide.
Influência da variação sazonal na composição e biopotencial do óleo volátil de Psidium cattleyanum (Myrtaceae) contra larvas de Aedes aegypti (Diptera: Culicidae)
(2025) Oliveira, Fernanda Miguel de; Romano, Camila Aline; Santos, Adelair Helena dos; Oliveira Neto, Jerônimo Raimundo de; Cunha, Luiz Carlos da; Borges, Leonardo Luiz; Paula, José Realino de

Navegar

Submissões Recentes