Assessing Antiparasitic Compounds Persistence in Cattle Hair by DART-MS.

This study introduces an alternative strategy for evaluating antiparasitic persistence compounds in cattle hair by Direct Analysis in Real Time Mass Spectrometry (DART-MS). The developed DART-MS method aimed to determine fenthion, chlorpyrifos, and cypermethrin in cattle hair samples. DART-MS analyses were performed in positive ion mode, and parameters related to the DART source were evaluated.

Agronomic Performance, Oil Yield and Hydrolate Quality of Patchouli Cultivated in Different Soil Covers.

This study describes the evaluation of the effectiveness of different soil covers on the development, productivity, yield and metabolic content of patchouli oil (Pogostemon cablin) and its hydrolate. The agronomic experiments were carried out in the field, including four types of soil cover and six replications (4 x 6), using green cover (peanut), straw (crotalaria and millet straw), white plastic cover, and no mulch (weeding). After transplanting, the initial growth of seedlings was analyzed through weekly monitoring of plant height, stem diameter, and the number of leaves.

Characterization and Quantification of Naphthenic Acids in Produced Water by Orbitrap MS and a Multivariate Approach.

Naphthenic acids (NAs) naturally occur in crude oil and its associated produced water, presenting significant challenges, such as corrosion, in refinery apparatus and ecotoxicity in aquatic habitats. This study delineates a multivariate method to quantify NAs in produced water via electrospray ionization coupled with high-resolution Orbitrap mass spectrometry (ESI-Orbitrap MS). By employing liquid-liquid extraction, followed by direct infusion ESI(-)-Orbitrap MS, we characterized and quantified NAs employing a partial least-squares regression (PLS) model enhanced by the ordered predictor selection (OPS) algorithm.

Novel matrix formulation for resin composite: Chemical and biomechanical characterization - Part 1.

Objective: This study aimed to investigate the effects of adding cholesteryl methacrylate (CM) monomer to experimental composite resins and evaluate its impact on polymerization shrinkage force (PSF), Knoop microhardness (KHN), sorption and solubility (SS), vulnerability to spontaneous oxidation (VOE), porosity (BES), viscosity (V), and cross-link density (CLD). CM was synthesized, mixed with varying proportions of Bis-GMA, 70 wt% filler particles, and 40 % TEGDMA. The groups tested were: CM0 (60 % Bis-GMA), CM6 (54 % Bis-GMA/6 % CM), CM12 (48 % Bis-GMA/12 % CM), CM18 (42 % Bis-GMA/18 % CM) and CM24 (36 % Bis-GMA/24 % CM).

Infraspecific Chemical Variability and Metabolomic Profiling by Paper Spray Ionization (PSI-MS) of Averrhoa carambola from Different Brazilian Biomes.

This research focused on the molecular diversity of A. carambola collected from three Brazilian biomes (Cerrado, Amazônia, and Mata Atlântica), whose results revealed significant differences in metabolite profiles among these biomes through PSI-MS analysis. Chemometric analysis provided valuable insights into the clustering patterns and metabolic distinctions.

An Agile and Accurate Approach for N-Nitrosamines Detection and Quantification in Medicines by DART-MS.

N-nitrosamines (NAs) are prevalent mutagenic impurities in various consumer products. Their discovery in valsartan-containing medicines in 2018 prompted global regulatory agencies to set guidelines on their presence and permissible levels in pharmaceuticals. In order to determine the NAs content in medicines, efficient and sensitive analytical methods have been developed based on mass spectrometry techniques.

A novel arylpiperazine derivative (LQFM181) protects against neurotoxicity induced by 3- nitropropionic acid in in vitro and in vivo models.

In the pursuit of novel antioxidant therapies for the prevention and treatment of neurodegenerative diseases, three new arylpiperazine derivatives (LQFM181, LQFM276, and LQFM277) were synthesized through a molecular hybridization approach involving piribedil and butylated hydroxytoluene lead compounds. To evaluate the antioxidant and neuroprotective activities of the arylpiperazine derivatives, we employed an integrated approach using both in vitro (SH-SY5Y cells) and in vivo (neurotoxicity induced by 3-nitropropionic acid in Swiss mice) models. In the in vitro tests, LQFM181 showed the most promising antioxidant activity at the neuronal membrane and cytoplasmic levels, and significant neuroprotective activity against the neurotoxicity induced by 3-nitropropionic acid.

Direct sulfur-containing compound speciation in crude oils and high-boiling fractions by APCI (+) FT-ICR mass spectrometry.

In this study, we focus on advancing the methodology for detecting sulfur-containing compounds (SCCs) in crude oils and their derivatives. These compounds are critical for geochemical analysis, crude oil evaluation, and overcoming production and refining challenges. Although various analytical techniques exist, the precision and resolution power of Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS) stand out.

Chrysin bonded to β-d-glucose tetraacetate enhances its protective effects against the neurotoxicity induced by aluminum in Swiss mice.

Objectives: To evaluate whether the glycosylation of chrysin (CHR) enhances its protective effects against aluminum-induced neurotoxicity.

Methods: To compare the antioxidant, anticholinesterase, and behavioral effects of CHR with its glycosylated form (CHR bonded to β-d-glucose tetraacetate, denoted as LQFM280), we employed an integrated approach using both in vitro (SH-SY5Y cells) and in vivo (aluminum-induced neurotoxicity in Swiss mice) models.

Key Findings: LQFM280 demonstrated higher antioxidant activity than CHR in both models.

Leishmanicidal activity and 4D quantitative structure-activity relationship and molecular docking studies of vanillin-containing 1,2,3-triazole derivatives.

The assessment of the antileishmanial potential of 22 vanillin-containing 1,2,3-triazole derivatives against is reported. Initial screening was performed against the parasite promastigote form. The most active compound, , targeted parasites within amastigotes (IC = 4.

Advances in Mass Spectrometry-Metabolomics Based Approaches.

Highly selective and sensitive analytical techniques are necessary for microbial metabolomics due to the complexity of the microbial sample matrix. Hence, mass spectrometry (MS) has been successfully applied in microbial metabolomics due to its high precision, versatility, sensitivity, and wide dynamic range. The different analytical tools using MS have been employed in microbial metabolomics investigations and can contribute to the discovery or accelerate the search for bioactive substances.

Oral Squamous Cell Carcinoma Lipid Evaluation in Gingiva Tissue Stored in TRIzol via Shotgun Lipidomics and MALDI Mass Spectrometry Imaging.

Oral squamous cell carcinoma (OSCC) is the prevalent type of oral cavity cancer, requiring precise, accurate, and affordable diagnosis to identify the disease in early stages, Comprehending the differences in lipid profiles between healthy and cancerous tissues encompasses great relevance in identifying biomarker candidates and enhancing the odds of successful cancer treatment. Therefore, the present study evaluates the analytical performance of simultaneous mRNA and lipid extraction in gingiva tissue from healthy patients and patients diagnosed with OSCC preserved in TRIzol reagent. The data was analyzed by partial least-squares discriminant analysis (PLS-DA) and confirmed via matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI).

Combining LAESI Imaging and Tissue Spray Ionization Mass Spectrometry To Unveil Pesticides Contaminants in Fruits.

There is an increasing need for developing a strategy to analyze the penetration of pesticides in cultures during postharvest control with minimal or no sample preparation. This study explores the combined use of laser ablation electrospray ionization mass spectrometry imaging (LAESI imaging) and tissue spray ionization mass spectrometry (TSI-MS) to investigate the penetration of thiabendazole (TBZ) in fruits, simulating a postharvest procedure. Slices of guava and apple were prepared, and an infrared laser beam was used, resulting in the ablation of TBZ directly ionized by electrospray and analyzed by mass spectrometry.

Desorption electrospray ionization and matrix-assisted laser desorption/ionization as imaging approaches for biological samples analysis.

The imaging of biological tissues can offer valuable information about the sample composition, which improves the understanding of analyte distribution in such complex samples. Different approaches using mass spectrometry imaging (MSI), also known as imaging mass spectrometry (IMS), enabled the visualization of the distribution of numerous metabolites, drugs, lipids, and glycans in biological samples. The high sensitivity and multiple analyte evaluation/visualization in a single sample provided by MSI methods lead to various advantages and overcome drawbacks of classical microscopy techniques.

Integrated Metabolic and Inflammatory Signatures Associated with Severity of, Fatality of, and Recovery from COVID-19.

Severe manifestations of coronavirus disease 2019 (COVID-19) and mortality have been associated with physiological alterations that provide insights into the pathogenesis of the disease. Moreover, factors that drive recovery from COVID-19 can be explored to identify correlates of protection. The cellular metabolism represents a potential target to improve survival upon severe disease, but the associations between the metabolism and the inflammatory response during COVID-19 are not well defined.

L-proline transporter inhibitor (LQFM215) promotes neuroprotection in ischemic stroke.

Background: L-proline transporter (PROT/SLC6A7) is closely associated with glutamatergic neurotransmission, where L-proline modulates the NMDA receptor (NMDAR) function. NMDAR-mediated excitotoxicity is a primary cause of neuronal death following stroke, which is triggered by the uncontrolled release of glutamate during the ischemic process. After ischemic stroke, L-proline levels show a reduction in the plasma, but high circulating levels of this molecule indicate good functional recovery.

Dereplication of extract with anti-inflammatory activity.

is a medicinal plant widely used by indigenous communities of the Amazon rainforest to treat inflammatory diseases and related pathologies. Considering its ethnopharmacological application, it constitutes an important source of biologically active molecules in the development of anti-inflammatory drugs. This study describes a dereplication methodology of the bioactive extract from leaves and the evaluation of the anti-inflammatory potential in an inflammatory model with mice of the BALB/c lineage and using cell lines, as well as determining the production of an inflammatory mediator.

Bisphenol determination in UHT milk and packaging by paper spray ionization mass spectrometry.

This study evaluates the use of paper spray ionization mass spectrometry (PSI-MS) for rapid determination of bisphenol A (BPA) and bisphenol S (BPS) in UHT milk and milk packaging. The packages were analyzed by cutting the cartons into triangular shapes and submitting them to PSI-MS analysis. The milk samples were subjected to a simple liquid-liquid extraction and the supernatant was deposited onto a triangular paper that was subsequently used for PSI-MS analysis.

Synthesis of bis(ylidene) cyclohexanones and their antifungal activity against selected plant pathogenic fungi.

Botrytis cinerea, Rhizoctonia solani and Hemileia vastatrix are three species of phytopathogenic fungi behind major crop losses worldwide. These have been selected as target models for testing the fungicide potential of a series of bis(ylidene) cyclohexanones. Although some compounds of this chemical class are known to have inhibitory activity against human pathogens, they have never been explored for the control of phytopathogens until now.

Structure-activity relationship of three new piperazine derivates with anxiolytic-like and antidepressant-like effects.

Anxiety and depression are common mental disorders affecting millions of people worldwide. Unsatisfactory clinical outcomes with the use of the available pharmacological interventions among some patients demand newer drugs with proven efficacy, safety, and tolerability profile. In this study, the LQFM211, LQFM213, and LQFM214 were designed from the piperazine scaffold and administered orally in mice.

Synthesis of Tyrosol 1,2,3-Triazole Derivatives and Their Phytotoxic Activity against .

The synthesis and phytotoxic activity of a series of tyrosol 1,2,3-triazole derivatives are reported herein. Target compounds were synthesized through the copper(I)-catalyzed azide-alkyne cycloaddition reaction (CuAAC), known as click reaction, and these were tested for phytotoxic activity on leaves of wild poinsettia (), fleabane (), and tropical spiderwort (). These are three highly noxious agricultural weeds that challenge available weed control methods, including the use of chemical herbicides.

Bioassay-Guided Fractionation of -Butanol Extract with Inhibitory Activity against Influenza A(H1N1)pdm09 Virus by Centrifugal Partition Chromatography (CPC).

occurs in the Amazon region, and some species of this genus are used in Brazilian folk medicine. A recent study showed the inhibitory effect of this species against influenza A(H1N1)pdm09 virus, and in order to acquire active fractions, a polar solvent system -butanol-methanol-water (9:1:10, /) was selected and used for bioassay-guided fractionation of -butanol extract by centrifugal partition chromatography (CPC). The upper phase was used as stationary phase and the lower phase as mobile (descending mode).

Hazardous effects of road-side soils on the redox and cholinesterasic homeostasis of mound-building termite (Cornitermes cumulans).

For our knowledge, the roadside soils end up being the deposit of various residues discarded by drivers or passengers, plus, that coming from the runoff of rainwater. Basically, we do not know the impacts that this pollution causes on animals which inhabit these environments. Thus, in this study, our objective was to evaluate how the presence of plastic microfibers (MPFs), organic compounds and heavy metals affect the redox and cholinesterase homeostasis of mound-building termite [Cornitermes cumulans (workers) adults].

Laser ablation electrospray ionization mass spectrometry imaging as a new tool for accessing patulin diffusion in mold-infected fruits.

This work describes the use of laser ablation electrospray ionization mass spectrometry imaging (LAESI imaging) to investigate the diffusion of the mycotoxin patulin from rotten to healthy areas of fruits. Slices of mold-infected and uninfected (control) apples and strawberries were prepared, and this was the only sample preparation step used. An infrared laser beam (2.