A cagaiteira (Eugenia dysenterica) pertencente à família Myrtaceae, é uma árvore nativa do Cerrado brasileiro, o seu fruto é muito frágil, apresentando casca fina e polpa suculenta, é consumido na forma processada como geleia para prolongar a vida útil. O presente trabalho teve como objetivo elaborar geleia de cagaita e avaliar a alteração de compostos bioativos e compostos voláteis em relação à polpa in natura. A análise de espectrometria de massa por paper spray nos modos positivos e negativos permitiu a identificação de 27 compostos, dentre elas, ácidos orgânicos, açúcares, antocianinas, ácidos hidroxicinâmicos, ácidos hidroxibenzóicos e flavonoides, indicando que a produção de geleia pode ser uma técnica para conservação de compostos fenólicos com suas respectivas qualidades sensoriais como cor e sabor. Na análise de voláteis por microextração em fase sólida no modo headspace, foram detectados no total de 33 compostos, principalmente das classes de monoterpenos, de sesquiterpenos e de ésteresindicando que a produção da geleia pode conservar o aroma característico do fruto. Na caracterização dos compostos voláteis da polpa de cagaita, o 3-careno foi o monoterpeno majoritário encontrado. Enquanto no processamento da geleia houve produção do furaldeído, produto obtido como consequência natural do aquecimento.

Myracrodruon urundeuva Fr. Allem. (Anacardiaceae) is a tree popularly known as the “aroeira-do-sertão”, native to the caatinga and cerrado biomes, with a natural dispersion ranging from the Northeast, Midwest, to Southeast Brazil. Its wood is highly valued and overexploited, due to its characteristics such as durability and resistance to decaying. The diversity of chemical constituents in aroeira seed has shown biological properties against microorganisms and helminths. As such, this work aimed to identify the profile of volatile compounds present in aroeira seeds. Headspace solid phase microextraction was employed (HS-SPME) using semi-polar polydimethylsiloxane-divinylbenzene fiber (PDMS/DVB) for the extraction of VOCs. 22 volatile organic compounds were identified: nine monoterpenes and eight sesquiterpenes, in addition to six compounds belonging to different chemical classes such as fatty acids, terpenoids, salicylates and others. Those that stood out were p-mentha-1,4, 4(8)-diene, 3-carene (found in all samples), caryophyllene and cis-geranylacetone. A virtual docking analysis suggested that around 65% of the VOCs molar content from the aroeiras seeds present moderate a strong ability to bind to cyclooxygenase I (COX-I) active site, oxide nitric synthase (iNOS) active site (iNOSas) or to iNOS cofactor site (iNOScs), corroborating an anti-inflamatory potential. A pharmacophoric descriptor analysis allowed to infer the more determinant characteristics of these compounds’ conferring affinity to each site. Taken together, our results illustrate the high applicability for the integrated use of SPME, in silico virtual screening and chemoinformatics tools at the profiling of the biotechnological and pharmaceutical potential of natural sources.

The characterization of plant compounds with pharmacological activity is a field of great relevance in research and development. As such, identification techniques with the goal of developing new drugs or even validating the bioactive properties of extracts must be explored in order to further expand the knowledge of plant extract composition. Most works in this field employ HPLC, when exploring non-structural and cell wall carbohydrates from Rhynchelytrum repens. Phenolic compounds were studied by classical chromatography techniques and UV-vis spectrophotometry, with C-glycosylated flavonoids being detected but with no further details regarding the chemical structure of these compounds. In this work we employ paper spray ionization mass spectrometry (PS-MS) for the evaluation of the chemical profile of R. repens methanol extract. Positive ionization mode identified 15 compounds, belonging to flavonoids, fatty acids, and other classes of compounds; negative mode ionization was able to identify 20 compounds comprising the classes of quinic acids, stilbenes and flavonoids. PS-MS proved effective for the evaluation of R. repens extracts, making it possible to identify a total of thirty-five compounds. The bioactive properties attributed to R. repens were confirmed by the identification and characterization of compounds identified by PS-MS.

Black pepper (Piper nigrum L.) and pink pepper (Schinus terebinthifolius Raddi) are two plant-based spices, which despite having a common popular name, have a botanical family and distinct centers of origin. Its fruits are known worldwide in cuisine as condiments; in addition, the extraction of essential oil from these species is interesting from a pharmacological and industrial perspective. In this sense, the present study aimed to analyze the chemical profile of volatile organic compounds (VOC's) present in black pepper and pink pepper. The solid phase microextraction method in headspace mode (HS-SPME) was used, using the fiber, polydimethylsiloxane-divinylbenzene (PDMS/DVB) for the extraction of VOCs. In the extraction of volatile compounds, 2g of the seeds of each sample were used, previously ground in an analytical mill, and placed in a 20 ml headspace flask. The adsorption of the compounds was carried out at a temperature of 60ºC, for 20 minutes, with the exposed PDMS/DVB fiber, after extraction, the desorption was carried out in the gas chromatograph injector coupled to mass spectrometry (CG-MS), where the fiber was exposed for 5 minutes. The identification of VOCs was performed by comparing the mass spectra obtained with data from the NIST library. Thirty-six volatile organic compounds (VOCs) were identified and quantified among pink pepper and black pepper seed samples. Of which 16 were found in black pepper, and 20 in pink pepper. These compounds are divided into monoterpenes, sesquitepenes, and other classes such as alkaloids and sesquiterpenoids. The volatile organic compounds found in higher concentrations in black pepper were Carnegine with 36.32 %, beyerene (30.84%), alpha-gurjunene (6.10%) and 1R,4S,7S,11R-2, 2,4,8-Tetramethyltricyclo [5.3.1.0 (4.11)] undec-8-ene also with 6.10%. In pink pepper, the compounds with the highest concentrations were, phyllocladene (36.16%), 3-carene (12.49%), and 1R,4S,7S,11R-2,2,4,8-tetramethyltricyclo [ 5.3.1.0 (4.11)] undec-8-ene (12.43%).

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Ginger is a plant whose rhizome has a high therapeutic potential in combating various diseases due to the action of several of its constituents. The 6-gingerol, phenolic compounds and carotenoids, act on macrophage modulation, antiplatelet aggregation and immunosuppressive activity. This work aimed to determine the total antioxidant capacity as well as to evaluate the use of paper spray mass spectrometry to obtain fingerprints of ginger samples of conventional and organic cultivation. The results demonstrated that organic farming samples showed higher levels of fiber and total protein, as well as 6-gingerol. One must still give preference to organic Ginger intake since it presented significant levels of 6-gingerol, fiber and protein. Several chemical classes such as sugars, fatty acids, phenylpropanoids and flavonoids were identified in organic and conventional ginger through paper spray ionization mass spectrometry. This analysis proved to be a very efficient and fast technique for obtaining fingerprints of ginger, allowing the identification of 19 compounds in the positive mode and 28 in the negative mode.

Avocado (Persea americana) is a widely consumed fruit and a rich source of nutrients and phytochemicals. Its industrial processing generates peels and seeds which represent 30% of the fruit. Environmental issues related to these wastes are rapidly increasing and likely to double, according to expected avocado production. Therefore, this work aimed to evaluate the potential of hexane and ethanolic peel (PEL-H, PEL-ET) and seed (SED-H, SED-ET) extracts from avocado as sources of neuroprotective compounds. Minerals, total phenol (TPC), total flavonoid (TF), and lipid contents were determined by absorption spectroscopy and gas chromatography. In addition, phytochemicals were putatively identified by paper spray mass spectrometry (PSMS). The extracts were good sources of Ca, Mg, Fe, Zn, ω-6 linoleic acid, and flavonoids. Moreover, fifty-five metabolites were detected in the extracts, consisting mainly of phenolic acids, flavonoids, and alkaloids. The in vitro antioxidant capacity (FRAP and DPPH), acetylcholinesterase inhibition, and in vivo neuroprotective capacity were evaluated. PEL-ET was the best acetylcholinesterase inhibitor, with no significant difference (p > 0.05) compared to the control eserine, and it showed neither preventive nor regenerative effect in the neuroprotection assay. SED-ET demonstrated a significant protective effect compared to the control, suggesting neuroprotection against rotenone-induced neurological damage.

The incorporation of Cerrado fruits in food products such as ice cream has many advantages because it represents a source of nutrients and bioactive compounds. Given the demand for less laborious methods to analyze food, the paper spray ionization mass spectrometry technique was applied for the first time for a rapid characterization of the chemical components found cagaita ice cream. PS-MS in positive and negative ionization modes were used. The profile of volatile compounds was determined by headspace solid-phase microextraction combined with gas chromatography-mass spectrometry. Fingerprints obtained through PS-MS identified various classes of compounds, such as flavones, anthocyanins, sugars, organic acids, hydroxybenzoic acids, fatty acids, hydroxycinnamic acids, lignin, and phenylpropanoid. The use of both fibers enabled the extraction and identification of 18 volatile compounds in cagaita, and 16 of them were also identified in cagaita ice cream. The most common volatile compound found in both cagaita and ice cream was 3-carene monoterpene. Considering the effect of processing on cagaita constituents, 89% of the volatile compounds remained in the ice cream. Also, 78% of the fruit chemical compounds analyzed by PS-MS were found in the product. Thus, the results indicate that most of the fruit compounds remained in the ice cream after processing.