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Assessing volatile organic compounds (VOCs) as cancer signatures is one of the most promising techniques toward developing non-invasive, simple, and affordable diagnosis. Here, we have evaluated the feasibility of employing static headspace extraction (HS) followed by gas chromatography with flame ionization detector (GC-FID) as a screening tool to discriminate between cancer patients (head and neck-HNC,n= 15; and gastrointestinal cancer-GIC,n= 19) and healthy controls (n= 37) on the basis of a non-target (fingerprinting) analysis of oral fluid and urine. We evaluated the discrimination considering a single bodily fluid and adopting the hybrid approach, in which the oral fluid and urinary VOCs profiles were combined through data fusion. We used supervised orthogonal partial least squares discriminant analysis for classification, and we assessed the prediction power of the models by analyzing the values of goodness of prediction (Q2Y), area under the curve (AUC), sensitivity, and specificity. The individual models HNC urine, HNC oral fluid, and GIC oral fluid successfully discriminated between healthy controls and positive samples (Q2Y = 0.560, 0.525, and 0.559; AUC = 0.814, 0.850, and 0.926; sensitivity = 84.8, 70.2, and 78.6%; and specificity = 82.3; 81.5; 87.5%, respectively), whereas GIC urine was not adequate (Q2Y = 0.292, AUC = 0.694, sensitivity = 66.1%, and specificity = 77.0%). Compared to the respective individual models, Q2Y for the hybrid models increased (0.623 for hybrid HNC and 0.562 for hybrid GIC). However, sensitivity was higher for HNC urine and GIC oral fluid than for hybrid HNC (75.6%) and hybrid GIC (69.8%), respectively. These results suggested that HS-GC-FID fingerprinting is suitable and holds great potential for cancer screening. Additionally, the hybrid approach tends to increase the predictive power if the individual models present suitable quality parameter values. Otherwise, it is more advantageous to use a single body fluid for analysis.

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Absolute content of terpenes in inflorescences of two strains of Cannabis sativa L., CAT 1 and CAT 3, has been determined. Twenty terpenes commonly present in these samples were quantified by solid phase microextraction combined with gas chromatography and flame ionization detection (SPME/GC-FID). High amounts of ß-myrcene, α-pinene, ß-pinene, limonene, (E)-ß-ocimene, ß-caryophyllene, α-humulene, (E)-nerolidol, and linalool, were found in both strains. Lower concentrations (< 20 µg·g-1) of other terpenes were also determined. Only (E)-ß-ocimene was detected at 50 µg·g-1 in CAT 3 whereas it was below the LOD in CAT 1. Concentrations of other compounds for which standards were not available, were estimated based on a response factor obtained from the calibration curves of compounds with similar chemical structures. Fingerprints of both CAT strains were obtained and the identities of most volatile compounds were assigned using gas chromatography coupled to mass spectrometer detector (GC-MS). Additionally, an assessment of variability of terpenes was achieved by analyzing ten plants of each strain grown under controlled conditions and harvested at the same time. This variability was about 20%, considering terpenes at concentration above 20 µg·g-1.

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The aim of this study was to evaluate the effect of light on anatomy, physiology and essential oil content and composition of Varronia curassavica. They were analysed two light conditions (full sunlight and protected environment with 50% shade screen) and five accessions (VCUR-101, VCUR-102, VCUR-201, VCUR-302, VCUR-802). V. curassavica cultivated in full sun presented a greater development of the leaf blade and palisade parenchyma thickness for all accessions. Chlorophyll levels did not differ according to the two light environments. The leaf area was larger in the protected environment. The essential oil yield of the accessions ranged from 0.26 to 0.87 mL/plant in full sun and from 0.34 to 0.53 mL/plant in the protected environment. The composition of the essential oil was influenced by the light and the accession. All accessions presented (E)-caryophyllene and α-humulene. The influence of light on the evaluated variables is genotype dependent.

El objetivo de este estudio fue evaluar el efecto de la luz sobre la anatomía, fisiología, el contenido y composición de aceites esenciales de Varronia curassavica. Se analizaron dos condiciones de luz (pleno sol y ambiente protegido con 50% de pantalla de sombra) y cinco accesiones (VCUR-101, VCUR-102, VCUR-201, VCUR-302, VCUR-802). V. curassavica cultivada a pleno sol presentó mayor desarrollo del limbo foliar y espesor del parénquima en empalizada para todas las accesiones. Los niveles de clorofila no difirieron según los dos entornos de luz. El área foliar fue mayor en el ambiente protegido. El rendimiento de aceite esencial de las accesiones varió de 0,26 a 0,87 mL/planta a pleno sol y de 0,34 a0,53 mL/planta en el ambiente protegido. La composición del aceite esencial fue influenciada por la luz y la accesión. Todas las accesiones presentaron (E)-cariofileno y α-humuleno. La influencia de la luz sobre las variables evaluadas depende del genotipo.

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Escherichia coli is a pathogen associated with infections in piglets in the post-weaning phase, its pathogenicity is related to the animal's susceptibility to bacterial enterotoxins. The objective of the present study was to determine the EOs activity against E. colistrain, in the form planktonic and sessile. Although the Disc-Diffusion tests to determine the Minimum Inhibitory Concentration, do not fully corroborate with the other analyzes of this study, it was noticed bacteria inhibition. The EOs were prepared at 0.4%, 0.8% and 1.0% for tests. The tested EOs were effective against E. coliplanktonic cells (p<0.05). As for the sessile cells, the most significant result was inhibition and 100% sessile cells at the concentration of 1.0% of Cymbopogon citratusEO. Although there was resistance in some treatments, the tested EOs demonstrated inhibition capacity, constituting promising alternatives for the control of E. coli, especially of planktonic cells.

Escherichia coli es un patógeno asociado con infecciones en lechones en la fase posterior al destete, su patogenicidad está relacionada con la susceptibilidad del animal a las enterotoxinas bacterianas. El objetivo del presente estudio fue determinar la actividad de contra E. coli, en la forma planctónico y sésil. Aunque las pruebas de difusión de disco para determinar la concentración inhibitoria mínima, no corroboran completamente con los otros análisis de este estudio, se observó inhibición de la bacteria. Las soluciones basadas en AE se prepararon al 0.4%, 0.8% y 1.0% para pruebas. Los AEs probados fueron efectivos contra las células planctónicas (p<0.05). En cuanto a las células sésiles, el resultado más significativo fue la inhibición y el 100% de las células sésiles a la concentración de 1,0% de Cymbopogon citratus. Aunque hubo resistencia en algunos tratamientos, los AEs probados demostraron capacidad de inhibición, constituyendo alternativas prometedoras para el control de E. coli, especialmente de células planctónicas.

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BACKGROUND: The COVID-19 pandemic sharply increased the demand for ethanol-based gel hand sanitizers, leading to a shortage of these products. Consequently, regulatory health agencies worldwide have altered their regulatory guidelines on ethanol quality to meet this high demand, raising concerns about product quality. OBJECTIVE: The aim of this study was to quantify ethanol content and to qualitatively assess common impurities in ethanol-based gel hand sanitizers by headspace (HS) gas chromatography (GC) with flame ionization detector (FID). METHODS: To quantify the ethanol content, 0.10 g of the sample was weighed in a 20 mL HS vial and 5 mL of deionized water was added. Regarding the qualitative approach, 0.25 g of the sample was weighed and 4 mL of deionized water was added. The samples were incubated and then 400 µL of the HS was injected into the GC/FID. Forty-eight products purchased in Brazil were analyzed. RESULTS: Thirteen products presented at least one nonconformity regarding the ethanol quantity. Two samples presented an average ethanol concentration below the lower limit considered effective. Twelve samples presented acetaldehyde or ethyl acetate. CONCLUSION: The huge demand for ethanol-based gel hand sanitizers may have impacted their quality. Because concern with proper hand hygiene tends to remain an issue for a long period, more studies about quality control of hand sanitizers will be needed. HIGHLIGHTS: A simple and fast HS-GC/FID method to quantify ethanol in ethanol-based gel hand sanitizers was developed, validated, and applied to commercial samples in Brazil. The regulatory authorities must be more vigilant to ensure that the commercially available products meet the recommended specifications.

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Chemical compositions of plants are affected by the initial nutrient contents in the soil and climatic conditions; thus, we analyzed for the first time the effects of soil and leaf nutrients on the compositions of the essential oils (EOs) of Siparuna muricata in four different localities in Ecuador. EOs were obtained by hydrodistillation and analyzed by gas chromatography/mass spectrometry (GC/MS) and a gas chromatography/flame ionization detector (GC/FID). Enantiomeric distribution by GC/MS was determined, modifying the enantiomeric separation of ß-pinene, limonene, δ-elemene, ß-bourbonene, cis-cadina-1 (6), 4-diene and atractylone. A total of 44 compounds were identified. The most representative for L1 were guaiol, atractylone and 4-diene; for L2, cis-cadina-1(6),4-diene and myrcene; for L3, atractylone, myrcene and germacrene B; and finally, L4 germacrene B, myrcene and cis-cadina-1(6),4-diene. Correlations between soil- leaf chemical elements such as Al, Ca, Fe, Mg, Mn, N and Si in the different localities were significant with chemical composition of the essential oil of Siparuna muricata; however, correlations between soil and leaf K, P, and Na were not significant. Cluster and NMDS analysis showed high dissimilarity values of secondary metabolites between four localities related with changes in soil- leaf nutrients. Thus, the SIMPER routine revealed that not all secondary metabolites contribute equally to establishing the differences in the four localities, and the largest contributions are due to differences in guaiol, cis-cadina-1(6),4-diene, atractylone and germacrene. Our investigation showed for the first time the influences of altitude and soil- leaf chemical elements in the chemical composition of the EOs of S. muricata.

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AIMS: Toxaphene is a persistent organic pollutant, composed of approximately 1000 highly chlorinated bicyclic terpenes. The purpose of this study was to evaluate if camphor, a structural analogue of toxaphene, could stimulate aerobic biotransformation of weathered toxaphene. METHODS AND RESULTS: Two enrichment cultures that degrade camphor as the sole carbon source were established from contaminated soil and biosolids. These cultures were used to evaluate aerobic transformation of weathered toxaphene. Only the biosolids culture could transform compounds of technical toxaphene (CTTs) in the presence of camphor, while no transformation was observed in the presence of glucose or with toxaphene as a sole carbon source. The transformed toxaphene had lower concentration of CTTs with longer retention times, and higher concentration of compounds with lower retention times. Gas chromatography with electron capture negative ion mass spectrometry (GC/ECNI-MS) showed that aerobic biotransformation mainly occurred with Cl8 - and Cl9 -CTTs compounds. The patterns of Cl6 - and Cl7 -CTTs were also simplified albeit to a much lesser extent. Seven camphor-degrading bacteria were isolated from the enrichment culture but none of them could degrade toxaphene. CONCLUSION: Camphor degrading culture can aerobically transform CCTs via reductive pathway probably by co-metabolism using camphor as a co-substrate. SIGNIFICANCE AND IMPACT OF THE STUDY: Since camphor is naturally produced by different plants, this study suggests that stimulation of aerobic transformation of toxaphene may occur in nature. Moreover plants, which produce camphor or similar compounds, might be used in bioremediation of contaminated soils.

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Introduction: Tea tree oil is an essential oil recognized for its antimicrobial properties. Objective: To evaluate the composition, features, and antimicrobial effect at 2% v/v, and its minimal inhibitory concentration (MIC) against Cutibacterium acnes (Propionibacterium acnes). Materials and methods: Three different batches of tea tree oil were evaluated. We characterized its chemotype by gas chromatography and its 2% v/v antimicrobial activity against C. acnes by agar diffusion assay (guide M11-A8 CLSI). Results: The three batches of oil had the chemotypes required by the ISO 4730 standard, which indicates that it is a high-quality product. Additionally, they had 30% to 40% of terpinen-4-ol, a compound that favors its antimicrobial activity. Antimicrobial activity against C. acnes for all batches had a concentration-dependent effect with microbial growth inhibitory activity in all assays at 2% v/v. The MIC obtained against C. acnes for all batches was 0.25% v/v. The antimicrobial activity of tea tree oil against this microorganism has been previously reported with a MIC between 0.05% and 1.25% v/v, a range that covers the one obtained in this study. Conclusion: These results show the high quality of the oil and its capacity as an antibacterial agent against C. acnes. New studies should be conducted to confirm its activity and that of its components in isolates of the microorganism from patients with acne vulgaris.

Introducción. El aceite del árbol de té es un aceite esencial reconocido por sus propiedades antimicrobianas. Objetivos. Evaluar la composición, características y efecto antimicrobiano del aceite al 2 % del árbol de té y su concentración inhibitoria mínima (CIM) contra Cutibacterium acnes (Propionibacterium acnes). Materiales y métodos. Se evaluó el quimiotipo en tres lotes diferentes de este aceite mediante cromatografía de gases, así como su actividad antimicrobiana en concentración al 2 % v/v y la CIM contra C. acnes mediante ensayo de difusión en agar (guía M11-A8 CLSI). Resultados. Los lotes evaluados presentaron los quimiotipos ajustados a la norma ISO 4730, lo que indicó la alta calidad del producto. Los lotes contenían de 30 a 40 % de terpinen-4-ol, compuesto que favorece la actividad antimicrobiana, la cual presentó en todos los lotes un efecto dependiente de la concentración contra C. acnes, con una inhibición del crecimiento microbiano en concentración al 2 % v/v en todas las pruebas. La concentración inhibitoria mínima fue de 0,25 % v/v. La actividad antimicrobiana del aceite del árbol de té contra este microorganismo ya ha sido reportada con una concentración inhibitoria mínima entre 0,05 y 1,25 % v/v, rango que cobija la obtenida en este estudio. Conclusiones. Los resultados evidenciaron la gran calidad de este producto y su capacidad como agente antibacteriano contra C. acnes. Se deben hacer estudios con otros aislamientos del microorganismo provenientes de pacientes con acné vulgar para confirmar su actividad general y la de cada uno de sus componentes.

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Quantification of the gas streams from chemical systems such as catalytic reactors are routinely performed by on-line gas chromatography. Gas chromatographs used for this purpose are typically provided with a combination of thermal conductivity (TCD) and flame ionization (FID) detectors to be able to detect and quantify both permanent gases; COx, N2, H2, etc., and hydrocarbons. However, the accuracy of the quantification is hindered by the intrinsic limitations of each type of detector. Namely, TCD has low sensitivity and FID does not detect permanent gases. Therefore, modern gas chromatographs include methanizer units to partially overcome this shortcoming by converting COx to methane. However, as far as these authors know, the literature has not presented an analytical method to characterize gas streams with high accuracy by the simultaneous use of a combination of a TCD-FID detection system provided with a methanizer. This work is an attempt to solve this problematic; it consists of the formulation of a mathematical model for the well-known external and internal standard quantification methods in gas chromatography. The analysis of the gas stream from a catalytic reactor performing the combustion of methane was used to validate the developed method. The concentration ranges of the analysed gases were: 0.8-7.7 vol% of CH4, CO2, and CO, 7.7-38.5 vol.% of O2, and 46.2-90.8 vol.% of N2 at a total flow of 130 mL min-1. It was found that the commonly applied external standard method leads not only to inaccurate quantification but also to physically meaningless carbon balances and conclusions on the behaviour of the selected model system. In contrast, the internal standard method led to a highly accurate quantification with a physically meaningful carbon balance. Considering these findings, this contribution also draws attention to the need for a thoughtful application of chromatographic methods when studying the reactivity of gas systems.

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ANTECEDENTES: Se desconoce el contenido de grasas saturada (GS) y trans (Gtrans) en panes sin etiqueta y sin vigilancia por entidad regulatoria de Colombia. PROPÓSITO: Comparar el contenido de GS y Gtrans en panes de algunas panaderías de Medellín con lo reglamentado: 0,5 g/50 g de pan, para ambos tipos de grasa según resolución 2508 de 2012 del Ministerio de Salud. MATERIALES Y MÉTODOS: Se muestrearon 45 panes de tres tipos (aliñado, leche y croissant) en tres niveles socioeconómicos (NSE) según ubicación de la panadería. Se cuantificó grasa total gravimétricamente y GS y Gtrans por cromatografía de gases. RESULTADOS: El porcentaje de GS y Gtrans con respecto a la grasa total extraíble fue 43,8% y 0,6% en pan aliñado, 37,4% y 0,6% en pan leche y 32,2% y 0,9% en pan croissant, sin diferencia significativa entre ellos (p= 0,155 y 0,184, respectivamente). CONCLUSIONES: Comparado con la resolución 2508, el contenido de GS fue mayor al límite establecido en resolución y el contenido de Gtrans fue menor en pan aliñado, leche o croissant. Los panes evaluados en las panaderías del NSE bajo contenían mayor Gtrans que los otros.

BACKGROUND: The content of saturated (GS) and trans (Gtrans) fats in unlabeled and breads that are not regulated by the Colombian government is unknown. PURPOSE: To compare the content of GS and Gtrans in breads of bakeries in Medellín with the following regulation: 0.5 g/50 g of bread, for both types of fat according to the 2012 Ministry of Health resolution #2508. MATERIALS AND METHODS: 45 breads of three types (seasoned, milk and croissant) were sampled at bakeries from three socioeconomic levels (NSE) according to the location. Total fat was quantified gravimetrically and GS and Gtrans by gas chromatography. RESULTS: The percentage of GS and Gtrans with respect to the total extractable fat was 43.8% and 0.6% in seasoned bread, 37.4% and 0.6% in milk bread and 32.2% and 0.9% in croissant bread, with no significant difference by bread type (p= 0.155 and 0.184, respectively). CONCLUSIONS: GS content of sampled breadswas greater than the limit established in the resolution. Gtrans content was lower in seasoned bread andmilk bread compared to croissant. The breads evaluated in the bakeries of lower NSE contained higher Gtrans than the others.

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