Harnessing Mass Spectrometry for Molecular Analysis in Energy: From Fossil Fuels to Renewables.

Mass spectrometry (MS) has become an indispensable tool for the detailed chemical analysis of materials used in energy production, spanning both traditional fossil fuels and modern renewable alternatives. This review explores advanced ionization sources and ultrahigh-resolution MS technologies in analyzing energy materials such as petroleum, biomass, biofuels, and bio-oil. Highlighted ionization techniques include electrospray ionization, atmospheric pressure chemical ionization, atmospheric pressure photoionization, laser desorption/ionization, and matrix-assisted laser desorption/ionization, all crucial for qualitative and quantitative assessments, as well as ultrahigh-resolution Fourier transform ion cyclotron resonance and Orbitrap mass analyzers.

Metabolic signatures by LC-HRMS/MS of jabuticaba (Plinia cauliflora) juice, liqueur, and wines reveal the wealthiest sources of bioactive metabolites.

This study aimed to determine the total phenolic content, antioxidant and anti-inflammatory activities, and metabolomic profiling of Jabuticaba beverages. The metabolomic profiling showed a greater abundance of flavonoids in liqueur samples, while sweet wine predominantly contained phenolic acids. On the other hand, dry wine was characterized by a higher abundance of terpenes.

Anthelmintic Potential of Conjugated Long-Chain Fatty Acids Isolated from the Bioluminescent Mushroom .

With praziquantel being the sole available drug for schistosomiasis, identifying novel anthelmintic agents is imperative. A chemical investigation of the fruiting body of the bioluminescent mushroom Berk. resulted in the isolation of new conjugated long-chain fatty acids (8,10,12,13)-12,13-dihydroxy-7-oxo-octadeca-8,10-dienoic acid () and (7,8,9,11)-7,8-dihydroxy-13-oxo-octadeca-9,11-dienoic acid () and three previously described compounds, (7,8,9)-7,8-dihydroxyoctadec-9-enoic acid (), (2)-dec-2-ene-1,10-dioic acid (), and a ketolactone marasmeno-1,15-dione ().

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.

Immunomodulatory Effects of Bark Extract in Experimental Autoimmune Encephalomyelitis.

This study aimed to evaluate the efficacy of the ethanolic extract of in modulating the immune response in the Experimental Autoimmune Encephalomyelitis (EAE) model. The ethanolic extract of the dried bark was analyzed by ESI (+) Orbitrap-MS to obtain a metabolite profile, demonstrating a wide variety of polyphenols, such as flavonoids and phenolic acids. Various parameters were evaluated, such as clinical signs, cytokines, cellular profile, and histopathology in the central nervous system (CNS).

Anthocyanin Profiles in the Tropical Fruits Eugenia jambolana and Inga edulis: A Comparative Study Using Paper Spray Ionization (PSI-MS), Tissue Spray Ionization (TSI-MS), and Direct Infusion (DI-MS).

Paper spray ionization (PSI-MS) and tissue spray ionization (TSI-MS) mass spectrometry are simple and rapid ambient ionization mass spectrometry techniques that offer numerous advantages over conventional analysis methods. This study aims to analyze the efficiency of detecting anthocyanins from Eugenia jambolana fruit peel and Inga edulis seeds using PSI-MS, TSI-MS, and DI-MS (direct infusion). DI-MS exhibited high efficiency, detecting all compounds in abundance, with anthocyanins malvidin 3,5-O-diglucoside (1) and petunidin 3,5-O-diglucoside (2) being the most prevalent.

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.

antitumor effects of aqueous extract and protease inhibitors from st. Hil. et naud and metabolite profiling.

The present study aims to assess the cytotoxic effect of the aqueous and protease inhibitors extracts of on breast cancer cell lines. The results showed significant reductions in the highest concentrations from the seed extract for all cell lines. The aqueous extract reduced the viability by up to 35% in the MCF-7, 25% in the 4T1, and 35% in the MDA-MB-231 cell lines.

Exploring salivary lipid profile changes in COVID-19 patients: Insights from mass spectrometry analysis.

The most common COVID-19 testing relies on the use of nasopharyngeal swabs. However, this sampling step is very uncomfortable and is one of the biggest challenges regarding population testing. In the present study, the use of saliva as an alternative sample for COVID-19 diagnosis was investigated.

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.

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.

Phytochemical characterization, isolation, antioxidant and cytogenotoxic activity of leaves of (Lehm) I.M. Johnst.

is used to treat inflammation, cough, and flu. This study aimed to characterize the phytochemical profile and determine the total phenolic content (TPC), antioxidant and cytogenotoxic activity of the ethanolic extract (EE), and fractions of leaves. In the phytochemical profile analysis, organic acids, reducing sugars, flavonoids, saponins, anthraquinones, steroids/triterpenes, and depsides/depsidones were detected in the EE and/or fractions (hexanic/FH, chloroformic/FC, ethyl acetate/FAE, and hydromethanolic/FHM).

Protease inhibitors characterisation by SDS-PAGE and MALDI-TOF from and their modulation of macrophage immune-inflammatory properties.

This study describes the extraction and identification by electrophoretic and spectrometric techniques of protease inhibitor from the medicinal plant as well as investigates their immunomodulatory properties and cell viability. The tubers were subjected to protease inhibitor extractions and characterised using SDS-PAGE and MALDI-TOF. The protein extracts were assessed for activities trypsin inhibition stoichiometry, haemagglutinating, cell viability, NO and TNF-α production inhibition.

Assessing the Effectiveness of Chemical Marker Extraction from Amazonian Plant Cupuassu () by PSI-HRMS/MS and LC-HRMS/MS.

Employing a combination of liquid chromatography electrospray ionization and paper spray ionization high-resolution tandem mass spectrometry, extracts from cupuassu () pulp prepared with either water, methanol, acetonitrile or combinations thereof were subjected to metabolite fingerprinting. Among the tested extractors, 100% methanol extracted preferentially phenols and cinnamic acids derivatives, whereas acetonitrile and acetonitrile/methanol were more effective in extracting terpenoids and flavonoids, respectively. And while liquid chromatography- mass spectrometry detected twice as many metabolites as paper spray ionization tandem mass spectrometry, the latter proved its potential as a screening technique.

LC-HRMS/MS-Based Metabolomics Approaches Applied to the Detection of Antifungal Compounds and a Metabolic Dynamic Assessment of Orchidaceae.

The liquid chromatography-mass spectrometry (LC-MS)-based metabolomics approach is a powerful technology for discovering novel biologically active molecules. In this study, we investigated the metabolic profiling of Orchidaceae species using LC-HRMS/MS data combined with chemometric methods and dereplication tools to discover antifungal compounds. We analyze twenty ethanolic plant extracts from and (Orchidaceae) genera.

The Free Radical Scavenging Property of the Leaves, Branches, and Roots of DC: In Vitro Assessment, 3D Pharmacophore, and Molecular Docking Study.

In this work, a metabolic profile of was investigated, and in vitro assays and theoretical approaches were carried out to evaluate its antioxidant potential. The phytochemical screening detected saponins, organic acids, phenols, tannins, flavonoids, and alkaloids in extracts of leaves, branches, and roots. Through LC-MS analysis, the triterpenes oleanolic acid (/ 455 [M-H]) and ursolic acid (/ 455 [M-H]) were identified as the main bioactive components.

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.

Alternative method for microenzymatic inhibition activities monitoring from Baccharis trimera extracts by CZE-UV.

Introduction: Capillary zone electrophoresis with direct UV detection (CZE-UV) was used to investigate the hypothesis about the extract of Baccharis trimera enzymatic activities as an analytical approach to monitoring the phenomenon.

Objective: The aim of this work was to investigate enzymatic bioactivities of the hydroalcoholic and infusion extracts of B. trimera through screening evaluation of the inhibition of the enzymes acetylcholinesterase (AChE) and α-glycosidase (α-GLY).

Metabolic Profiling of Species with Antitumor Activity.

This work evaluated the metabolic profiling of species with antitumor potential. In addition, we described the antigenotoxicity of polyphenols isolated from and a proteomic approach using HepG2 cells after treatment with these metabolites. The in vitro cytotoxic activity against HepG2, HT-29 and T98G cancer cell lines was investigated.

Evaluation of Antioxidant Potential of Commercial Cinnamon Samples and Its Vasculature Effects.

Growing concerns on free radicals are the oxidative processes associated with physiological damage. The consumption of functional foods and use of plants with antioxidant capacity are widespread. Given the importance of determining antioxidant capacity in relation to the therapeutic effect, this study was aimed at evaluating cinnamon extract ( sp.

Mass spectrometry applied to diagnosis, prognosis, and therapeutic targets identification for the novel coronavirus SARS-CoV-2: A review.

Mass spectrometry (MS) has found numerous applications in medicine and has been widely used in the detection and characterization of biomolecules associated with viral infections such as COVID-19. COVID-19 is a multisystem disease and, therefore, the need arises to carry out a careful and conclusive assessment of the pathophysiological parameters involved in the infection, to develop an effective therapeutic approach, assess the prognosis of the disease, and especially the early diagnosis of the infected population. Thus, the urgent need for highly accurate methods of diagnosis and prognosis of this infection presents new challenges for the development of laboratory medicine, whose methods require sensitivity, speed, and accuracy of the techniques for analyzing the biological markers involved in the infection.

Metabolic profiling by LC-DAD-MS, FTIR, NMR and CE-UV of polyphenols with potential against skin pigmentation disorder.

In traditional Brazilian medicine, tubers extracts from are widely used in the treatment of skin pigmentation disorder. However, studies that evaluate its benefits in the treatment of this disorder are non-existent. Thus, this work aims to investigate the bioactivity of extracts in cell culture and murine model of Vitiligo and correlating with its phenolic profile.

Medicinal Plants from Brazilian Cerrado Biome: Potential sources of new anti-inflammatory compounds and antitumor agents on Ehrlich carcinoma.

This work describes a pharmacological screening of Brazilian medicinal plants through their anti-inflammatory and cytotoxicity activities. Cytotoxicity activity of Mouriri elliptica and Alchornea glandulosa as well as the drugs celecoxib and doxorubicin were evaluated in cultures of peritoneal macrophages. The immune system influence of these samples was analyzed by determining production/inhibition of NO, production of tumor necrosis factor-α and production of interleukin-10.

Miconia albicans and Curcuma longa herbal medicines positively modulate joint pain, function and inflammation in patients with osteoarthritis: a clinical study.

This study aims to evaluate the analgesic and modulating effect of Curcuma longa and Miconia albicans herbal medicines in knee's osteoarthritis (OA) treatment. This longitudinal study evaluated 24 patients with OA. The patients were divided into three groups: ibuprofen (1200 mg/day), C.

Hydroalcoholic extract of Caryocar brasiliense Cambess. leaves affect the development of Aedes aegypti mosquitoes.

Introduction: Curtailing the development of the aquatic immature stages of Aedes aegypti is one of the main measures to limit their spread and the diseases transmitted by them. The use of plant extracts is a promising approach in the development of natural insecticides. Thus, this research aimed to characterize the inhibitory effect of the hydroalcoholic extract of Caryocar brasiliense leaves on the emergence of adult A.