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Myrtaceae is one of the most diverse and abundant botanical families, exhibiting wide diversity in the chemical composition of essential oils (EOs). EOs have various biotechnological applications such as controlling the populations of organisms that negatively impact humans. This study aimed to extract EOs from Myrtaceae species, chemically characterize them, and evaluate their larvicidal and fungicidal effects. EOs were extracted from the leaves of Eugenia brasiliensis, Eugenia uniflora, Psidium cattleyanum, Psidium guajava, and Syzygium cumini by hydrodistillation for 3 h and characterized by chromatographic analysis. Larvaes of Aedes aegypti and colonies of Fusarium oxysporum were subjected to increasing EO concentrations to determine the larvicidal and fungicidal potential. The EOs of Eugenia and Psidium species are primarily composed of sesquiterpenes (>80 %), whereas S. cumini EO is rich in monoterpenes (more than 60 %). The Eugenia species had similar amounts of oxygenated monoterpenes, which may explain their higher larvicidal potential compared to other species, with CL50 of 86.68 and 147.46 PPM, respectively. In addition to these two study species, S. cumini showed a high inhibition of fungal growth, with more than 65 % inhibition. We demonstrated that the actions of five EOs from Myrtaceae with different biological activities are associated with chemical diversity.

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Port-related activities have a detrimental impact on the air quality both at the point of source and for considerable distances beyond. These activities include, but are not limited to, heavy cargo traffic, onboard, and at-berth emissions. Due to differences in construction, operation, location, and policies at ports, the site-specific air pollution cocktail could result in different human health risks. Thus, monitoring and evaluating such emissions are essential to predict the risk to the community. Environmental agencies often monitor key pollutants (PM2.5, PM10, NO2, SO2), but the volatile organic carbons (VOCs) most often are not, due to its analytical challenging. This study intends to fill that gap and evaluate the VOC emissions caused by activities related to the port of Paranaguá - one of the largest bulk ports in Latin America - by characterizing BTEX concentrations at the port and its surroundings. At seven different sites, passive samplers were used to measure the dispersion of BTEX concentrations throughout the port and around the city at weekly intervals from November 2018 to January 2019. The average and uncertainty of BTEX concentrations (µg m-3) were 0.60 ± 0.43, 5.58 ± 3.80, 3.30 ± 2.41, 4.66 ± 3.67, and 2.82 ± 1.95 for benzene, toluene, ethylbenzene, m- and p-xylene, and o-xylene, respectively. Relationships between toluene and benzene and health risk analysis were used to establish the potential effects of BTEX emissions on the population of the city of Paranaguá. Ratio analysis (T/B, B/T, m,p X/Et, and m,p X/B) indicate that the BTEX levels are mainly from fresh emission sources and that photochemical ageing was at minimum. The cancer risk varied across the sampling trajectory, whereas ethylbenzene represented a moderate cancer risk development for the exposed population in some of the locations. This study provided the necessary baseline data to support policymakers on how to change the circumstances of those currently at risk, putting in place a sustainable operation.

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Serjania triquetra is a medicinal plant widely used in traditional medicine for the treatment of urinary tract diseases, renal affections, and its complications. The population can buy this plant in folk markets as a raw material mixed with several herbal remedies or as a health supplement. On the market, two commercial presentations were found for the vegetal material; one had a bulk appearance and the other was marketed wrapped in cellophane bags (HESt-2, HESt-3). Nevertheless, the plant has not been exhaustively investigated and quality control techniques have not been developed. This research aimed to realize a phytochemical study using an authentic, freshly collected sample as a reference for S. triquetra (HESt-1), using the compounds identified. A method for the determination of preliminary chromatographic fingerprinting was developed. Additionally, the vasorelaxant effect from three samples was evaluated with ex vivo rat models. Thus, three hydroalcoholic extracts (HESt-1, HESt-2, and HESt-3) were prepared by maceration. A total of nine compounds were fully identified from HESt-1 after the extract was subjected to open-column chromatography. Seven metabolites were detected by gas chromatography, while ursolic acid (UA) and allantoin were isolated and identified using UPLC-MS and NMR, respectively. Three extracts were analyzed for their chromatographic fingerprint by UPLC-MS. Biological activity was explored by ex vivo rat aorta ring model to evaluate vasorelaxant activity. All extracts showed a vasorelaxant effect in a concentration-dependent and endothelium-dependent manner. S. triquetra vascular activity may be attributed to UA and allantoin compounds previously described in the literature for this activity.

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Centaurea calcitrapa has been intensively utilized in ethnomedicinal practices as a natural therapeutic recipe to cure various ailments. The current study aimed to chemically characterize ethanolic extract of C. calcitrapa (EECC) aerial parts (leaves and shoots) by use of gas chromatography-mass spectrometry analyses (GC-MS) and investigate its antioxidant and in vitro anticancer activities, elucidating the underlying molecular mechanism by use of flow cytometry-based fluorescence-activated cell sorting (FACS) and conducting in silico assessment of binding inhibitory activities of EECC major compounds docked to caspase-3. CG-MS profiling of EECC identified a total of 26 major flavonoids and polyphenolic compounds. DPPH and ABTS assays revealed that EECC exhibits potent antioxidant activity comparable to standard reducing agents. Results of the proliferation assay revealed that EECC exhibit potent, dose-dependent cytotoxic activities against triple-positive (MCF-7) and triple-negative (MDA-MB-231) breast cancer cell models, with IC50 values of 1.3 × 102 and 8.7 × 101 µg/mL, respectively. The observed cytotoxic effect was specific to studied cancer cells since EECC exhibited minimal (~<10%) cytotoxicity against MCF-12, a normal breast cell line. FACS analysis employing annexin V-FITC/propidium iodide double labeling demonstrated that the observed anti-proliferative activity against MCF-7 and MDA-MB-231 was mediated via apoptotic as well as necrotic signaling transduction processes. The increase in fluorescence intensity associated with DCFH oxidation to DCF, as reported by FACS, indicated that apoptosis is caused by generation of ROS. The use of caspase-3-specific fluorogenic substrate revealed a dose-dependent elevation in caspase-3 substrate-cleavage activity, which further supports EECC-mediated apoptosis in MCF-7 cells. The major EECC compounds were examined for their inhibitory activity against caspase-3 receptor (1HD2) using molecular docking. Three compounds exhibited the highest glide score energy of −5.156, −4.691 and −4.551 kcal/mol, respectively. Phenol, 2,6-dimethoxy established strong binding in caspase-3 receptor of hydrogenic type, with residue ARG 207 and of PI-PI stacking type with residue HIS 121. By contract, hexadecenoic acid showed 3 H-bond with the following residues: ASN 615, ASN 616a and THR 646. Taken together, the current findings reveal that EECC exhibits significant and specific cytotoxicity against breast cancer cells mediated by the generation of ROS and culminating into necrosis and apoptosis. Further investigations of the phytoconstituents-rich C. calcitrapa are therefore warranted against breast as well as other human cancer cell models.

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Biotransformation has been successfully employed to conduct uncommon reactions, which would hardly be carried out by chemical synthesis. A wide diversity of compounds may be metabolized by fungi, leading to chemical derivatives through selective reactions that work under ecofriendly conditions. Endophytic fungi live inside vegetal tissues without causing damage to the host plant, making available unique enzymes for interesting chemical derivatization. Biotransformation of steroids by endophytic fungi may provide new derivatives as these microorganisms came from uncommon and underexplored habitats. In this study, endophytic strains isolated from Handroanthus impetiginosus leaves were assayed for biotransformation of progesterone, and its derivatives were identified through GC-EI-MS analysis. The endophyte Talaromyces sp. H4 was capable of transforming the steroidal nucleus selectively into four products through selective ene-reduction of the C4-C5 double bond and C-17 oxidation. The best conversion rate of progesterone (>90 %) was reached with Penicillium citrinum H7 endophytic strain that transformed the substrate into one derivative. The results highlight endophytic fungi's potential to obtain new and interesting steroidal derivatizations.

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Abstract: This article describes the chemical composition, physical properties and acetylcholinesterase (A ChE) and butyrylcholinesterase (BuChE) activity of stem - distilled essential oil (E O ) from Bursera graveolens wood chips, Burseraceae. The plant material was acquired in Quimis (Bosque de Sancán), city of Jipijapa in the province of Manabí, coastal region o f Ecuador. Thirty - six components were identified by CG - MS, which represented 98.54% of the volatile oil. The main components were limonene (68.52%) and mentofuran (20.37%). The hydrocarbon monoterpenes constituted the most abundant fractions. The average y ield of the E O was 1.26%. Regarding the physical properties of E O , the following values were obtained: relative density (1,029 g/mL), refractive index (1,477) and specific rotation (+4,567). The E O presented IC 50 inhibition values of 47.2 and 51.9 µg/mL fo r the enzymes AChE and BuChE, respectively.

Resumen: Este artículo describe la composición química, propiedades físicas y actividad acetilcolinesterasa (AChE) y butirilcolinesterasa (BuChE) del aceite esencial (AE) destilado a vapor de astillas de madera de Bursera graveolens , Burseraceae. La materia vegetal fue adquirida en Quimis (Bosque de Sancán), ciudad de Jipijapa en la provincia de Manabí, región costera d e Ecuador. Treinta y seis componentes fueron identificados por CG - MS, que representaron al 98.54 % del aceite volátil. Los componentes principales fueron limoneno (68.52%) y mentofurano (20.37%). Los monoterpenos hidrocarburos constituyeron las fracciones m ás abundantes. El rendimiento medio del AE fue de 1.26%. Con respecto a las propiedades físicas del AE se obtuvo los siguientes valores, densidad relativa (1.029 g/mL), índice de refracción (1.477) y rotación específica (+4.567). El AE presentó valores de inhibición IC 50 de 47.2 y 51.9 µg/mL para las enzimas AChE y BuChE, respectivamente.

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This study presents the use of high resolution Nuclear Magnetic Resonance (NMR) as an outstanding tool for identifying with accuracy the structure of the polymers used as binders and the additives used as plasticizers in samples from a mural painted by David Alfaro Siqueiros between 1964 and 1972, an important period in which his artistic production has not been previously studied. Additionally, the presence of some organic pigments was detected. The mural Trazos de composición piramidal currently located outside of Siqueiros' studio La Tallera, in Cuernavaca Morelos (Mexico) was an artistic experiment done by Siqueiros to test outdoor painting. Eight micro-samples of paint were thoroughly analyzed by Optical Microscopy (OM), Scanning Electron Microscopy - Energy Dispersive X-Ray Spectroscopy (SEM-EDS), Fiber Optics Reflectance Spectra (FORS), Transmission Fourier Transform Infrared Spectroscopy with Attenuated Total Reflectance mode (FTIR-ATR) and Pyrolysis-Gas Chromatography/Mass Spectrometry (Py-GC/MS). Through these studies, contrasted with an historical investigation, we demonstrate that the samples present a multi-layered and complex painting system because Siqueiros made at least two versions of the painting. The multi-layered structure and the variable composition of each layer challenged the application of several analytical methodologies traditionally used for cultural heritage materials. In one sample, each layer was separated and they were studied in detail by FTIR-ATR, Py-GC/MS and NMR. This study revealed the presence of two main binders: acrylics in the first layers and nitrocellulose in the last one, also some phthalates and fatty acids were detected as additives. Inorganic pigments and fillers were identified as titanium dioxide and iron red oxide as well as diatoms and carbonates. The main contribution of this study, where NMR spectroscopy was applied for the first time in modern mural painting analysis, is the characterization of the materials used by Siqueiros during the last years of his artistic production.

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Prevention and control programs for Ceratitis capitata require a large supply of lures and traps for use in established trapping networks and mass-trapping suppression measures. The main lures currently used are: Trimedure (TML), three-component Biolure (BL), and Ceratrap (CT). The aim of this study was to determine the release rates of these lures, the chemical composition of their volatiles, and how these parameters change with exposure time. Tests were conducted under field conditions at three different elevations (25, 500, and 1,300 masl) during the dry and rainy seasons in Chiapas, Mexico. We found that for TML and BL, the release rate was similar in both seasons and at all three elevations. In the case of CT, the release rate was greater during the dry season and at the lowest elevation during the rainy season. With the caveat of using solid-phase microextraction technique for identification of lure compounds in this study, we found that the volatile compounds of TML were maintained throughout the rainy season, however, in the dry season, some compounds could not be detected. The volatile compounds emitted by BL were trimethylamine, ammonium acetate, and acetamide. Among volatile compounds of CT, acetic acid was the most abundant in the rainy season, while minor compounds were only detected during the first five weeks. Recapture rates were affected by elevation in the three lures tested and there was a significant interaction between elevation in exposure time for TML and BL.

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The current body of literature points monoterpenes as one of the determinant factors of the interaction between forests and human health. The present study aims at analyzing the monoterpene absorption by humans during a 2 -hs forest exposure in a Mediterranean holm oak forest focusing on the four most abundant monoterpene compounds: alpha-pinene, beta-pinene, alpha-phellandrene and limonene. Participants' blood samples were collected before and after exposure to forest or urban environment (control). We conducted air and blood sampling using cartridges and head space method and determined the monoterpene compounds through CGMS. We identified the four compounds in forest air during the experimental study being alpha-pinene the monoterpene with the greatest concentration. Results show no significant changes in monoterpene blood concentrations for the forest and control group. However, a negative significant relationship between absorption and baseline blood concentration of the most abundant forest air monoterpenes, alpha-pinene and beta-pinene, was found in individuals visiting the forest, i.e. higher absorption was found the lower the baseline blood concentration was. Although no significant lineal correlation could be spotted between the vital variables and the monoterpene absorption, we found significant correlations between the absorption of the monoterpene compounds. This attempt, first in a Mediterranean holm oak forest, can serve as a starting point and constitute a valuable contribution for further research in regard to experimental design and laboratory analysis.

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Plant tissue culture has emerged as an important tool to produce bioactive compounds from various plant species, including the sustainable production of limonoids that are receiving considerable attention due to the benefits associated with human health such as anticancer activities. The purpose of the present study was to evaluate the capacity of limonoids aglycone production from callus culture from sweet orange cv. Pera (Citrus sinensis) seeds and identify the compounds produced in this cell line. Callus induction occurred in Murashige and Skoog medium supplemented with 2,4-dichlorophenoxyacetic (2,4-D), malt extract, agar and coconut water. For the analysis and identification of the limonoids, CG-MS-EI ion-positive mode and UPLC-QTOF-ESI were used operating in positive and negative mode. An intense peak corresponding to limonin appeared in the callus extracts at a retention time of 58.1 min. in CG-MS-EI and four major limonoids aglycone by positive ion mode UPLC-QTOF-ESI: limonin, nomilin, deacetylnomilin, and nomilinic acid. The culture medium was efficient at the bioproduction of limonoids aglycone in callus cultures of C. sinensis seeds. Therefore, data obtained from UPLC-QTOF-ESI proved its importance at identifying new compounds that benefit human health, and may assist future work in the identification of known or new limonoids in Citrus species and related genera.

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The effects of processing on the chemical, physicochemical, enzymatic, and volatile metabolic composition of pitaya pulp were assessed for the first time. To this end, the following treatments to obtain pitaya pulp were evaluated: Treatment A (TA, pulp processing without ascorbic acid), Treatment B (TB, whole fruit processing with ascorbic acid), and Control (whole fruit processing without ascorbic acid). The treatment employed in TB resulted in low polyphenol oxidase and peroxidase activity, and no significant chemical or physicochemical alterations in most parameters evaluated. In addition, TB presents high yields and fiber content compared to the TA or Control. For metabolic analysis, Gas Chromatography-Mass Spectrometry (GC-MS) was effective for the simultaneous determination of 80 volatile metabolites in pitaya. Chemometric analyses was used to efficiently distinguish the volatile compounds of each treatment, and demonstrated that TB presents an interesting volatile profile due the conservation or agregation of compounds.

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Root exudation is considered to regulate the abundance of the microbial community. It may vary both qualitatively and quantitatively in response to the environment in which the plant is growing. A part of exuded N derives from amino acids (AAs). This, in turn, may help plants to cope with abiotic stresses by favouring positive interactions with the rhizosphere environment, thus playing a potential role in maintaining healthy plants. In this respect, an under-investigated area is the effect of stress due to water deficit (WD). It is proposed that the AA profile in the rhizosphere may be altered by WD, reflecting a modulation of root AA exudation linked to a physiological response of the plant to water stress. To investigate this, Pisum sativum L. plants, grown in unsterilised Rhizobium leguminosarum-enriched soil, were stem-labelled with 15N-urea for 96 h, and then subjected/not subjected to 72 h of WD. The concentrations and abundance of 15N-labelling in individual AAs were determined in both roots and the associated rhizosphere at 24, 48 and 72 h after stress application. It was found that both AAs metabolism in the pea root and AAs exudation were strongly modified in WD conditions. After 24 h of WD, the concentrations of all measured AAs increased in the roots, accompanied by a dramatic stress-related increase in the 15N-labelling of some AAs. Furthermore, after 48-72 h of WD, the concentrations of Pro, Ala and Glu increased significantly within the rhizosphere, notably with a concomitant increase in 15N-enrichment in Pro, Ser, Asn, Asp, Thr and Ile. These results support the concept that, in response to WD, substantial amounts of recently assimilated N are rapidly translocated from the shoots to the roots, a portion of which is exuded as AAs. This leads to the rhizosphere being relatively augmented by specific AAs (notably HSer, Pro and Ala) in WD conditions, with a potential impact on soil water retention.

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BACKGROUND: The genus Lippia comprises 150 species, most of which have interesting medicinal properties. Lippia sidoides (syn. L. origanoides) exhibits strong antimicrobial activity and is included in the phytotherapy program implemented by the Brazilian Ministry of Health. Since species of Lippia are morphologically very similar, conventional taxonomic methods are sometimes insufficient for the unambiguous identification of plant material that is required for the production of certified phytomedicines. Therefore, genetic and chemical analysis with chemotype identification will contribute to a better characterization of Lippia species. METHODS: Amplified Length Polymorphism and Internal Transcribed Spacer molecular markers were applied to determine the plants' genetic variability, and the chemical variability of Lippia spp. was determined by essential oil composition. RESULTS: Amplified Length Polymorphism markers were efficient in demonstrating the intra and inter-specific genetic variability of the genus and in separating the species L. alba, L. lupulina and L. origanoides into distinct groups. Phylogenetic analysis using Amplified Length Polymorphism and markers produced similar results and confirmed that L. alba and L. lupulina shared a common ancestor that differ from L. origanoides. Carvacrol, endo-fenchol and thymol were the most relevant chemical descriptors. CONCLUSION: Based on the phylogenetic analysis it is proposed that L. grata should be grouped within L. origanoides due to its significant genetic similarity. Although Amplified Length Polymorphism and Internal Transcribed Spacer markers enabled the differentiation of individuals, the genotype selection for the production of certified phytomedicines must also consider the chemotype classification that reflects their real medicinal properties.

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The first phytochemical investigation of the aerial parts of Bituminaria basaltica, an endemic species from the Aeolian Islands, led to the isolation and identification of eight compounds including plicatin B (3), two furanocoumarins: angelicin (1), psoralen (2), three pterocarpans: erybraedin C (4), 3,9-dihydroxy-4-isoprenyl-pterocarpan (5), bitucarpin A (8) and two flavonoid glycosides: isoorientin (6), daidzin (7). Their structures were elucidated by spectroscospic techniques and compared with data reported in the literature. Sesquiterpenes characterised the essential oil composition of the title plant where ß-caryophyllene and germacrene D were the main constituents.

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Objective: To analyze and compare the difference in volatile components in Achyranthesbidentatae Radix, salt-pro-cessed product of Achyranthes bidentatae Radix and wine-processed product of Achyranthes bidentatae Radix. Methods:Headspace sol-id-phase microextraction ( HS-SPME) was used to extract the volatile components from Achyranthes bidentatae Radix and the two pro-cessed product of Achyranthes bidentatae radix. The chemical compositions were analyzed by gas chromatography-mass spectrometry ( GC-MS) , and their relative mass fraction of each component was determined by an area normalization method. Results:A total of 38 chemical components were identified, and 23, 16 and 15 components were respectively identified from Achyranthes bidentatae Radix, the salt-processed product of Achyranthes bidentatae Radix and the wine-processed product of Achyranthes bidentatae Radix accounted for 79. 14%, 49. 80% and 44. 57% of the total content of volatile components, respectively. There were 4 types of common volatile chemical constituents in the three products. Compared with Achyranthes bidentatae Radix, 10 types of new compounds were produced and 17 types of old compounds disappeared in the salt-processed product, and 9 types of new compounds were produced and 17 types of old compounds disappeared in the wine-processed product. Conclusion:Different processing methods have some influence on the type and the content of the volatile components in Achyranthes bidentatae Radix. Using HS-SPME-GC-MS combination technique can quickly and effectively obtain the volatile components information for Achyranthes bidentatae Radix, which can provide scientific reference for the quality evaluation and application of the processed products of Achyranthes bidentatae Radix.

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Objective: To analyze and compare the difference in volatile components in Achyranthesbidentatae Radix, salt-pro-cessed product of Achyranthes bidentatae Radix and wine-processed product of Achyranthes bidentatae Radix. Methods:Headspace sol-id-phase microextraction ( HS-SPME) was used to extract the volatile components from Achyranthes bidentatae Radix and the two pro-cessed product of Achyranthes bidentatae radix. The chemical compositions were analyzed by gas chromatography-mass spectrometry ( GC-MS) , and their relative mass fraction of each component was determined by an area normalization method. Results:A total of 38 chemical components were identified, and 23, 16 and 15 components were respectively identified from Achyranthes bidentatae Radix, the salt-processed product of Achyranthes bidentatae Radix and the wine-processed product of Achyranthes bidentatae Radix accounted for 79. 14%, 49. 80% and 44. 57% of the total content of volatile components, respectively. There were 4 types of common volatile chemical constituents in the three products. Compared with Achyranthes bidentatae Radix, 10 types of new compounds were produced and 17 types of old compounds disappeared in the salt-processed product, and 9 types of new compounds were produced and 17 types of old compounds disappeared in the wine-processed product. Conclusion:Different processing methods have some influence on the type and the content of the volatile components in Achyranthes bidentatae Radix. Using HS-SPME-GC-MS combination technique can quickly and effectively obtain the volatile components information for Achyranthes bidentatae Radix, which can provide scientific reference for the quality evaluation and application of the processed products of Achyranthes bidentatae Radix.

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The method allowed simultaneous characterization of PAHs, nitro-PAHs and quinones in atmospheric particulate matter. This method employs a miniaturized micro-extraction step that uses 500 µL of an acetonitrile-dichloromethane mix and instrumental analysis by means of a high-resolution GC-MS. The method was validated using the SRM1649b NIST standard reference material as well as deuterated internal standards. The results are in good agreement with the certified values and show recoveries between 75% and 145%. Limit of detection (LOD) values for PAHs were found to be between 0.5 pg (benzo[a]pyrene) to 2.1 pg (dibenzo[a,h]anthracene), for nitro-PAHs ranged between 3.2 pg (1-nitrobenzo[e]pyrene) and 22.2 pg (3-nitrophenanthrene), and for quinones ranged between 11.5 pg (1,4-naphthoquinone) and 458 pg (9,10-phenanthraquinone). The validated method was applied to real PM10 samples collected on quartz fiber filters. Concentrations in the PM10 samples ranged from 0.06 to 15 ng m(-3) for PAHs, from

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Abstract The goals of the study were to determinethe antimicrobial and antioxidant activities of essential oil and plant extracts aqueous and ethanolic of Psidium cattleianum Sabine; the chemical composition of the essential oil of P. cattleianum; and the phytochemical screening of aqueous and ethanolic extracts of the same plant. Regarding the antimicrobial activity, the ethanolic extract exhibited moderate antimicrobial activity with respect to bacteria K. pneumoniae and S. epidermidis, whereas, regarding other microorganisms, it showed activity considered weak. The aqueous extract and the essential oil showed activity considered weak, although they inhibited the growth of microorganisms. About the antioxidant potential, the ethanolic and aqueous extracts exhibited a scavenging index exceeding 90%, while the essential oil didn´t show significant antioxidant activity. Regarding the phytochemical composition, the largest class of volatile compounds identified in the essential oil of P. cattleianum included the following terpenic hydrocarbons: α-copaene (22%); eucalyptol (15%), δ-cadinene (9.63%) and α-selinene (6.5%). The phytochemical screening of extracts showed the presence of tannins, flavonoids, and triterpenoids for aqueous and ethanolic extracts. The extracts and essential oils inhibit the growth of microrganisms and plant extracts showed significant antioxidant activity. Also, the phytochemical characterization of the essential oil showed the presence of compounds interest commercial, as well as extracts showed the presence of important classes and compounds with biological activities.

Resumo Os objetivos do trabalho foram determinar as atividades antimicrobiana e antioxidante do óleo essencial e dos extratos vegetais aquoso e etanólico de Psidium cattleianum Sabine; a composição química do óleo essencial P. cattleianum e a triagem fitoquímica dos extratos vegetais aquoso e etanólico da mesma planta. Quanto à atividade antimicrobiana, o extrato etanólico apresentou atividade antimicrobiana moderada frente as bactérias K. pneumonieae e S. epidermidis, enquanto frente aos demais micro-organismos apresentou atividade considerada fraca. O extrato aquoso e o óleo essencial apresentaram atividade considerada fraca, embora tenham inibido o crescimento dos micro-organismos. Em relação ao potencial antioxidante, os extratos etanólico e aquoso apresentaram índice de sequestro superior a 90%, enquanto o óleo essencial não apresentou atividade antioxidante significativa. Para a composição fitoquímica, a maior classe de compostos voláteis identificados no óleo essencial de P. cattleianum foram os hidrocarbonetos terpênicos, sendo eles: α-copaeno (22%), eucaliptol (15%), δ-cadineno (9,63%) e α-selineno (6,5%). Na triagem fitoquímica dos extratos verificou-se a presença de taninos, flavonóides e triterpenóides tanto para o extrato aquoso quanto etanólico. Os extratos e óleo essencial inibiram o crescimento dos micro-organismos e os extratos vegetais apresentaram atividade antioxidante significativa. Também, a caracterização fitoquímica do óleo essencial mostrou a presença de compostos de interesse comercial, assim como os extratos apresentaram a presença de classes e compostos com importantes atividades biológicas.

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OBJECTIVE: The essential oil from the leaves of Ocimum kilimandscharicum (EOOK), collected in Dourados-MS, was investigated for anticancer, anti-inflammatory and antioxidant activity and chemical composition. MATERIALS AND METHODS: The essential oil was extracted by hydrodistillation, and the chemical composition was performed by gas chromatography-mass spectrometry. The essential oil was evaluated for free radical-scavenging activity using the DPPH assay and was tested in an anticancer assay against ten human cancer cell lines. The response parameter (GI50) was calculated for the cell lines tested. The anti-inflammatory activity was evaluated using carrageenan-induced pleurisy in mice. RESULTS: The chemical composition showed 45 components with a predominance of monoterpenes, such as camphor (51.81%), 1,8 cineole (20.13%) and limonene (11.23%). The EOOK exhibited potent free radical-scavenging activity by the DPPH assay with a GI50 of 8.31 µg/ml. The major constituents, pure camphor (IC50=12.56 µg/ml) and mixture of the limonene: 1, 8 cineole (IC50=23.25 µg/ml) displayed a potent activity. The oral administration of EOOK (at 30 and 100 mg kg(-1)), as well as the pure camphor or a mixture of 1,8 cineole with limonene, significantly inhibited the carrageenan (Cg) induced pleurisy, reducing the migration of total leukocytes in mice by 82 ± 4% (30 mg kg(-1) of EOOK), 95 ± 4% (100 mg kg(-1) of EOOK), 83 ± 9% (camphor) and 80 ± 5% (mixture of 1,8 cineole:limonene 1:1). In vitro cytotoxicity screening against a human ovarian cancer cell line displayed high selectivity and potent anticancer activity with GI50=31.90 mg ml(-1). This work describes the anti-inflammatory, anticancer and antioxidant effects of EOOK for the first time. CONCLUSIONS: The essential oil exhibited marked anti-inflammatory, antioxidant and anticancer effects, an effect that can be attributed the presence of majorital compounds, and the response profiles from chemical composition differed from other oils collected in different locales.

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RESUMEN

Como resultado de una investigación impulsada por la justicia, se analizaron muestras provenientes de un posiblederrame intencional de plaguicidas sobre colmenas con abejas. En los análisis realizados se utilizó GC-MS previa extracción con solventes orgánicos. Debido a dificultades iniciales en la identificación de plaguicidas sobre tres de las muestras, se procedió alreprocesamiento de los cromatogramas utilizando selección de las relaciones de masas m/z 158, 173 y 143. Utilizando esa herramienta analítica se obtuvieron los correspondientes cromatogramas, y los espectros de masas con coincidencia frente al divulgado para el producto de descomposición de bromadiolona (PDB), determinando que tanto las abejas como las colmenas habían tenido contacto con bromadiolona (3-[3-(4’-bromobifenil-4-il)- 3-hidroxi-1-fenilpropil]-4- hidroxicumarina), un anticoagulantecumarínico de utilización agraria para combatir roedores, que parece ser prácticamente no tóxico para las abejas según informes internacionales. Se observó que en la literatura no se halla propuesta una estructura química definida para el PDB, lo cual podría constituir el fundamento para encarar trabajos futuros con el fin de elucidar el comportamiento de la droga madre enel contexto del caso.

As a result of an investigation boosted by ordinary justice, samples from a probable deliberate spill of pesticide over bees and hives were analyzed. Solvent extractions and then GC-MS were used to perform the tests. Due to difficulties since the beginning in pesticide identification upon three samples, chromatograms were reprocessed using mass selection at m/z 158, 173 y 143 mass rates. The correspondent chromatograms were gathered by these analytical tool, and their mass spectrums were found coincident with the previously reported as bromadiolone decomposition product (BDP), showing that hives as well asbees had been in contact with bromadiolone (3-[3-(4’-bromobiphenyl-4-yl)- 3-hydroxy-1-phenylpropyl]-4- hydroxycoumarin) - a coumarin rodenticide (anticoagulant) for agricultural use – which seems to be, according to international reports, practically non toxic for bees. It was observed that in the literature has not been proposed a defined chemical structure for BDP, so this could bea challenge for a future research in order to clarify its behavior in a similar situation.

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