Lanthanides (Lns) have been increasingly used in different fields, raising some concerns due to potential adverse effects to human life. In this work, it is proposed a laser ablation-inductively coupled plasma mass spectrometry (LA-ICP-MS) method for Lns determination in tea. Cellulose powder, leave powder and filter paper were evaluated as matrix matched standards and 13C, 103Rh, 115In, 197Au and 205Tl as internal standards (IS). Operating conditions of the LA-ICP-MS system, sample preparation procedures, and spiking samples with IS and standards were optimized. Better conditions of IS mixed with powdered standards or samples was achieved when the powder particles size was lower than 50 μm and 2 mL of IS or standard solutions were added to 500 mg of sample. Best results were obtained using Au as IS and filter paper. The method was applied to Lns determination in mint tea, where Ce, La and Nd concentrations were 580 ± 50, 282 ± 15 and 340 ± 60 ng g–1, respectively. The concentrations of the other Lns were below their limit of quantification (LOQ). The Lns concentrations determined by LA-ICP-MS were in good agreement (95% confidence level, t-test) with those found using ultrasonic nebulization-ICP-MS with a precision better than 20%.

This work evaluated the elemental content and toxicology of the primary materials of the e-liquids without adding nicotine and other additives. Elemental content was determined through inductively coupled plasma mass spectrometry (ICP-MS) analyses, and biological effects were evaluated in Saccharomyces cerevisiae and H9c2 cells. Elemental analysis did not detect toxic elements above the limit of quantification (LOQ). Toxic concentration with significant difference (p < 0.05) between the samples and the non-exposed cells for glycerin (7.5% m/v) and propylene glycol (12.5% m/v) and at 70/30 proportions (12.5% m/v), 50/50 (12.5% m/v), and 30/70 (6.25% m/v) were encountered. Yeast toxicity presented a concentration-dependent relation with growth inhibition and lethality. Cytotoxicity tests in mammalian cells presented significant differences (p < 0.05) at low concentrations of glycerin and propylene glycol exposition (1.25 and 0.25% m/v, respectively). High concentrations of glycerin and propylene glycol induced increased reactive oxygen species/lactate dehydrogenase, decreased catalase activity, and interference in cell viability. On acute exposure, pure glycerin and propylene glycol are toxic for yeast and H9c2 cells, increasing with proportions of glycerin/propylene glycol and the increased amount of propylene glycol in the solution. No correlation between elemental content and toxicity was observed.

Spondias tuberosa (umbu) has been studied from the perspective of natural product and pharmacology, revealing relevant biological activities. Therefore, from the point of view of chemical and biological studies, deepening knowledge about this species is of great importance. Additionally, the evaluation related to the metabolic variations of the same species during different phenological evolution stages is also an interesting aspect of the research. Thereby, ultra performance liquid chromatography coupled to mass spectrometry (UPLC-QToF-MSE) was used to trace the chemical profile from umbu leaves at different phenological stages, allowing the detection of 40 metabolites, which 16 were annotated, such as phenolics and anacardic acids. Furthermore, the use of chemoinformatics tools allowed obtaining information on phenological development in the three leaves phases: post-flowering (young leaves), full production and senescence. The antiglycation activity assay revealed a potential inhibition of the formation of advanced glycation end-products (AGEs) in the leaves at different phenological stages. The antioxidant activity was satisfactory and in agreement with previously reported results, evidencing the potential for using umbu leaves, currently completely discarded, as an alternative source of antioxidants, which may provide increased added value to the cultivation of umbu, stimulating family farming and the recovery of tree density in degraded areas.

The Dipteryx genus, a member of the Fabaceae family with approximately 14 species, is found in Brazil’s Amazon Rainforest, Northeast and Central regions, and Central America. Plants of this genus are used in popular medicine and contain coumarins, flavonoids, terpenoids, and fatty acids. Dipteryx lacunifera Ducke, known as “garampara” or “fava de morcego”, occurs in Brazil’s central-north region and has economic and energy value, along with antioxidant properties. For this study, ethyl acetate and ethylic ether soluble fraction of ethanol extract were subjected to chromatographic analysis leading to the isolation of two flavonoids, vitexin (1) and isoquercetin (6). In addition, analysis by electrospray ionization-ion trap mass spectrometry (ESI(-)-ITMS) and ultra-performance liquid chromatography coupled with electrospray ionization quadrupole-time-of-flight mass spectrometry (UPLC-ESI-QTOF-MS/MS) annotated twenty-one compounds (1-21), with seventeen of these being reported for the first time in D. lacunifera. Molecular network (GNPS) analysis grouped compounds (7-21) into flavonoids-O-glucoside, flavononol-O-glucoside, flavone-C-glucoside, proanthocyanidin, flavonol, and flavonoid-O-methoxylated classes. The FEtOAc fraction demonstrated potential antioxidant activity (half maximal effective concentration (EC50) 39.50 ± 6.51 mg mL−1), suggesting it as a promising source of antioxidants. However, neither fraction exhibited inhibition of tumor cell lines tested. These findings enhance our understanding of the chemical and biological potential of the D. lacunifera species.

ABSTRACT Rhodococcus equi is an opportunistic soil-borne bacterium that is eliminated in feces of multi-host animals. An increase in multidrug-resistant R. equi isolates has been reported in humans and domestic animals, and it has been hypothesized that the treatment of R. equi in foals could increase the selective pressure on multidrug-resistant isolates and favor human infections by resistant isolates. We investigated the in vitro antimicrobial susceptibility/resistance of 41 R. equi strains from humans, which were isolated from patients with pulmonary signs, using 19 antimicrobials from 10 distinct classes, recommended exclusively to humans, recommended exclusively to domestic animals and used in both. All isolates were subjected to mass spectrometry and identified as R. equi. Among the antimicrobials used exclusively in humans, tigecycline and vancomycin showed 100% efficacy. Amikacin, amoxicillin/clavulanic acid, imipenem, levofloxacin, clarithromycin, rifampin, ciprofloxacin, and gentamicin, used in both humans and animals, revealed high efficacy (97–100%). Conversely, a higher frequency of isolates was resistant to penicillin (87.8%) and trimethoprim/sulfamethoxazole (43.9%), which are used in both humans and animals. Among the antimicrobials used only in animals, isolates were resistant to florfenicol (46.4%), ceftiofur (17.1%), and enrofloxacin (2.5%). Multidrug resistance was observed in 34% of isolates. The identification of drug-resistant R. equi isolated from humans used exclusively in animals is circumstantial evidence of the pathogen transmission from domestic animals to humans. This study contributes to the molecular identification of Rhodococcus species from humans and to the epidemiological vigilance of the multidrug-resistant isolates.

Plants of the genus Crotalaria are known for their antagonistic effect against nematodes. It has been found that pyrrolizidine alkaloids are the main metabolites involved in such antagonistic activity. Aiming at obtaining extracts with higher alkaloid content and enhanced potential for use as bionematicides, we investigated the chemical composition and nematicidal activity of extracts obtained from Crotalaria juncea and Crotalaria ochroleuca cultivated in vitro through micropropagation. Remarkably, extracts from the callus of C. ochroleuca (lethal concentration of 95% (LC95) = 157.7 μg mL-1) and C. juncea (LC95 = 189.9 μg mL-1) exhibited high toxicity against Meloidogyne javanica. The ultra performance liquid chromatography coupled to quadrupole time-of-flight with high mass spectrometry (UPLC-QTOF-MSE) analysis revealed the presence of pyrrolizidine alkaloids, flavones, flavone glycosides, and isoflavones. These findings highlight the potential of tissue culture to obtain extracts from Crotalaria species compared to conventionally cultivated plants and provide a higher concentration of metabolites with nematicidal effects, paving the way for sustainable agriculture.

Abstract Antimicrobial drug resistance is a challenge to public health. Various microorganisms, including methicillin-resistant Staphylococcus aureus (MRSA), Pseudomonas aeruginosa, carbapenemase-producing Klebsiella pneumoniae, Pythium insidiosum, and Candida auris, have developed resistance to commonly used antimicrobials in infection disease treatments. Consequently, there is an urgent need to explore and develop novel therapeutic drugs. Natural products, particularly medicinal plants, have received attention in the quest for innovative treatments for various diseases. Plantago major is a plant endowed with several biological properties, such as antibacterial, antifungal, and healing actions. This study aimed to investigate the antimicrobial activities of the methanolic extract obtained from the leaves of P. major. Microdilution assays were conducted to determine the minimum inhibitory concentration and minimum bactericidal and fungicidal concentration. Additionally, synergism with antimicrobial drugs was assessed using a time-kill curve analysis. A synergistic bactericidal interaction between the extract and imipenem was observed against carbapenemase-producing K. pneumoniae. For MRSA, a bacteriostatic synergism was noted in combinations of the extract with cephalotin and oxacillin. For C. auris, a fungistatic interaction was observed between the extract and amphotericin B. These results suggest the presence of bioactive compounds within the extract with therapeutic potential for combating infections caused by these microorganisms.

Abstract Tagetes minuta L. is a naturalized species that is not endemic to the high-altitude fields of Santa Catarina in southern Brazil. In this study, we investigated the composition of the essential oil (EO) from the flowers of the plant and its larvicidal activity against Aedes aegypti. The EO was obtained by hydrodistillation using a Clevenger apparatus. The chemical composition was determined using gas chromatography coupled with mass spectrometry (GC-MS). The EO extraction yield was 4.9%, and the major compounds (Z)-tagetone, (Z)-β-ocimene, and dihydrotagetone were identified. The 24 h larvicidal activity was verified against that of L3 larvae of the Rockefeller strain of Ae. Aegypti. The EO showed larvicidal activity against Ae. aegypti, with LC50 = 17.28 μg/mL-1. The results indicate that the bioinsecticidal potential of T. minuta EO is promising for the development of research in the field of natural products.

PRODUCTION OF BIONAPHTHA FROM (C3-C5) PRIMARY ALCOHOLS VIA CATALYTIC DEHYDROGENATION/DEHYDRATION PROCESSES. A sequence of dehydrogenation/dehydration reactions of homologous alcohols: propanol, butanol and pentanol was conducted using heterogeneous catalysts composed of mixed metal oxides basically of Mg and Al derived from hydrotalcites in the ratio M2+/Al3+ = 3, with 10 and 20% of the Mg substituted by Cu. The reactions were carried out in a fixed-bed reactor over a duration of 6 h at temperatures of 450 and 500 °C and yielded products of significant interest to the chemical industry. Product identification and quantification were achieved through gas chromatography coupled with mass spectrometry (GC-MS). A range of compounds were obtained, including alcohols, aldehydes, ethers, carboxylic acids, ketones, and hydrocarbons, with condensed alcohols and aldehydes being the predominant products. Reaction pathways were proposed for conversion of alcohols into their respective products, based on the Guerbet reaction mechanism. Catalysts containing copper proved to be more efficient in selectivity and stability throughout the reaction.

Three undescribed non-cyanogenic cyanoglycosides, designated as trichotomoside A (1), B (2), and C (3) along with three known ones (4-6) were isolated from the roots of Cordia trichotoma. In addition, miscellaneous compounds such as acid (1’R,3’S,5’R,8’S,2Z,4E)-dihydrophaseic 3’-O-β-D-glycopyranoside (7), N-(2E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran5-yl]acryloylglycine (8), syringaldehyde (9), scoparone (10), 12,16-epoxyglobiferin (11), α-cadinol (12), trichotomol (13), and 1-(3’-methoxypropanoyl)-2,4,5-trimethoxybenzene (14) were also isolated. The structures of all compounds were elucidated by an extensive analysis of spectroscopic data (infrared (IR), nuclear magnetic resonance (NMR), and high-resolution electrospray ionization mass spectrometry (HRESIMS)). The non-cyanogenic cyanoglycosides (1-6) were screened for their α-glucosidase inhibitory activities. None of the compounds exhibited antioxidant or xanthine oxidase activity. Compound 3 exhibited considerable inhibitory ability on α-glucosidase, showing a halfmaximal inhibitory concentration (IC50) = 646 ± 69 μmol L-1 close to the standard acarbose (IC50 = 521 ± 23 μmol L-1), demonstrating its promising antidiabetic action.

This study aims to propose a new method for derivatizing fatty acids (FAs) from human milk (HM), eliminating the lipid extraction step, and simplifying the preparation for gas chromatography with a flame ionization detection (GC-FID) analysis to quantify the FAs. The Design Expert software optimized the reaction times, concentrations, and sample amount. The proposed method (PM) was validated for lyophilized HM and results for the figures of merit for precision in relative standard deviation (RSD) (RSDintra-day 1.34-4.03% and RSDinter day 2.08 5.16%), accuracy (99.87-102.16%), and robustness are within a linear range of 3 to 38% lipids in HM samples. The atmospheric solids analysis probe tandem mass spectrometry (ASAP-MS/MS) technique confirmed the efficiency of PM by expressing the molecular composition of triacylglycerol formed by FAs from the GC-FID technique. The PM requires a small sample size and conducts derivatization directly in the sample matrix, minimizing extraction errors. (FAs HM, , (HM) step GCFID GC FID (GC-FID times concentrations amount (PM RSD (RSD RSDintraday RSDintra 1.344.03% 134403 1.34 4.03% 1 34 4 03 1.34-4.03 208 2 08 2.0 5.16%, 516 5.16% 5 16 5.16%) 99.87102.16%, 998710216 99.87 102.16% 99 87 102 (99.87-102.16%) 38 samples ASAPMS/MS ASAPMSMS ASAP MS/MS MS (ASAP-MS/MS matrix errors (HM 344 1.344.03 13440 134 1.3 403 4.03 0 1.34-4.0 20 2. 51 5.16 87102 99.87102.16% 99871021 9987 99.8 10216 102.16 9 8 10 (99.87-102.16% ASAPMS MSMS 1.344.0 1344 13 1. 40 4.0 1.34-4. 5.1 8710 99.87102.16 9987102 998 99. 1021 102.1 (99.87-102.16 1.344. 4. 1.34-4 5. 871 99.87102.1 998710 102. (99.87-102.1 1.344 1.34- 99.87102. 99871 (99.87-102. 99.87102 (99.87-102 99.8710 (99.87-10 99.871 (99.87-1 (99.87- (99.87 (99.8 (99. (99 (9 (

In this work, a miniaturized version of the QuEChERS (quick, easy, cheap, effective, rugged, and safe) method was optimized, validated, and applied for extracting eight pesticide residues in anuran liver tissue samples. The extracts were quantified by high-performance liquid chromatography with diode array detection, and the detected residues in liver tissue samples were identified by tandem mass spectrometry-liquid chromatography. The optimized extraction method entailed the scale reduction of the QuEChERS method twenty times using 500 mg of liver tissue sample, 200 mg Mg2SO4, 50 mg NaCl, 1.5 mL of acetonitrile, and a mixture of 25 mg C18 + 25 mg PSA (primary-secondary amine) as dispersive solid-phase extraction sorbent. The method was validated using liver tissue samples spiked at two levels of pesticide concentrations according to the SANTE/11312/2021 document. Recoveries ranged from 91-110% with a relative standard deviation < 20%. The method robustness assessed by the Steiner and Youden test resulted in recovery rate variations of less than 2% for all pesticides after deliberated changes in seven variables. The validated method was applied to 72 liver tissue samples from two anuran species, registering residues of some pesticides in 31 samples. The proposed method proved to be efficient, precise, and robust for determining pesticide residues in anuran liver tissues. work quick, quick (quick easy cheap effective rugged safe highperformance high performance detection spectrometryliquid spectrometry sample 20 Mg2SO4 MgSO Mg SO 5 NaCl 15 1 1. acetonitrile 2 C C1 primarysecondary primary secondary amine solidphase solid phase sorbent SANTE113122021 SANTE 11312 2021 SANTE/11312/202 document 91110% 91110 91 110% 110 91-110 20% variables 7 species 3 efficient precise tissues Mg2SO SANTE11312202 1131 202 SANTE/11312/20 9111 9 11 91-11 SANTE1131220 113 SANTE/11312/2 911 91-1 SANTE113122 SANTE/11312/ 91- SANTE11312 SANTE/11312 SANTE1131 SANTE/1131 SANTE113 SANTE/113 SANTE11 SANTE/11 SANTE1 SANTE/1 SANTE/

In the Amazon, Euterpe oleracea Mart. (açaí), is part of the identity of traditional communities, and the fruit is integrated into their everyday sociocultural dynamics. Hydrolysis and pyrolysis of residual biomass can be alternatives to yield sugars, ethanol, biochar and bio-oil. The açaí seeds subjected to oxidative pretreatment followed by acid hydrolysis increased cellulose to fermentable sugars (reaching 23.5%) and second-generation ethanol production (17.441 L t−1). Açaí oil (ca. 30%) was extracted using a Soxhlet apparatus (using hexane as solvent) and detected through gas chromatography coupled to mass spectrometry (GC-MS), where acids accounted for 82.43% of the total composition, while alcohols comprised only 13.15%. For pyrolysis, temperatures (500 and 550 °C), time (20 and 30 min), and activation temperature (750 and 800 °C) were evaluated, resulting in yields of ca. 22% for biochar and 30% for bio-oil. For the bio-oil, the main compounds detected by GC-MS were acids (16.3%), aldehydes (13.08%), amides (12.19%), alcohols (6.72%), and phenols (4.64%). The obtained biochar displayed surface area values of 553.7 m2 g−1 and 10% crystallinity, indicating its more amorphous nature. Amazon Mart açaí, , (açaí) communities dynamics biooil. biooil bio oil. bio-oil reaching 23.5% 235 23 5 secondgeneration second generation 17.441 17441 17 441 (17.44 t−1. t1 t t−1 . 1 t−1) ca (ca solvent GCMS, GCMS GC MS (GC-MS) 8243 82 43 82.43 composition 1315 13 15 13.15% 500 (50 55 °C, C °C 20 (2 3 min, min min) 750 (75 80 evaluated 22 biooil, oil, 16.3%, 163 16.3% 16 (16.3%) 13.08%, 1308 13.08% 08 (13.08%) 12.19%, 1219 12.19% 12 19 (12.19%) 6.72%, 672 6.72% 6 72 (6.72%) 4.64%. 464 4.64% 4 64 (4.64%) 5537 553 7 553. m g1 g g− 10 crystallinity nature (açaí 23.5 2 17.44 1744 44 (17.4 t− (GC-MS 824 8 82.4 131 13.15 50 (5 ( 75 (7 16.3 (16.3% 130 13.08 0 (13.08% 121 12.19 (12.19% 67 6.72 (6.72% 46 4.64 (4.64% 23. 17.4 174 (17. 82. 13.1 16. (16.3 13.0 (13.08 12.1 (12.19 6.7 (6.72 4.6 (4.64 17. (17 13. (16. (13.0 12. (12.1 6. (6.7 4. (4.6 (1 (16 (13. (12. (6. (4. (13 (12 (6 (4

Protium ovatum Eng. Burseraceae is an endemic species in Brazil used in traditional medicine. This study investigated the chemical variation and the in vitro antioxidant and antimicrobial properties of dichloromethane soluble fraction of hydrolate (DSFH) from leaves of P. ovatum collected from five different vegetation physiognomies within the Cerrado Goiano. The region was characterized based on the DSFH chemical composition by gas chromatography coupled to mass spectrometry (GC-MS) analysis. Principal component analysis (PCA) and hierarchical cluster analysis (HCA) were performed to compare the different DSFHs from five Savannah regions in Brazil. The DSFHs from the Cerrado stricto sensu (CSS), Mata de Galeria (MG) and Cerradão (C) regions were grouped in the negative part of PC1, showing high similarity. Samples from the C and MG regions showed antioxidant activity of IC50 = 0.98 and 0.78 mg mL-1, respectively, and 0.250 mg mL-1 of butylated hydroxytoluene (positive control). DSFH from different regions exhibited antifungal activity against Candida albicans. The results show that the chemical composition and the biological activity of DSFHs can be affected according to the area of collection. Eng medicine (DSFH P Goiano GCMS GC MS (GC-MS PCA (PCA HCA (HCA CSS, CSS , (CSS) (MG (C PC1 PC similarity IC IC5 098 0 98 0.9 078 78 0.7 mL1, mL1 mL 1, 1 respectively 0250 250 0.25 mL- positive control. control . control) albicans collection (CSS 09 9 0. 07 7 025 25 0.2 02 2

Alzheimer’s disease (AD) is a neurodegenerative disorder characterized by extracellular accumulation of amyloid-β (Aβ) peptides in the brain. This study demonstrates the direct association of the disposable pipette extraction (DPX) with tandem mass spectrometry (MS/MS) for the analysis of Aβ peptides in cerebrospinal fluid (CSF) samples. Different parameters were optimized in order to improve detectability in the MS/MS including mobile phase percentage of ammonium hydroxide, mobile phase flow rate and acquisition mode. Also, this method used an electrospray ionization (ESI) low-flow probe and direct infusion of an organic solution in the MS/MS. The DPX-MS/MS method showed adequate linearity for determining Aβ peptides in CSF-linearity ranged from 0.1 to 1.5 ng mL 1. The coefficients of determination were higher than 0.99; the precision coefficient of variation (CV) ranged from 0.3 to 12.7%; and the accuracy relative standard deviation (RSD) ranged from -13.6 to 13.2%. Alzheimers Alzheimer s AD (AD amyloidβ amyloid β (Aβ brain DPX (DPX MSMS MS (MS/MS CSF (CSF samples hydroxide mode Also ESI (ESI lowflow low DPXMS/MS DPXMSMS CSFlinearity 01 0 1 0. 15 5 0.99 099 99 CV (CV 03 3 12.7% 127 12 7 RSD (RSD 13.6 136 13 6 -13. 132 2 13.2% DPXMS 0.9 09 9 12.7 13. -13 13.2 12. -1 -