GC-MS Method Research Articles

Zinc Oxide Nanoparticles Affect Early Seedlings' Growth and Polar Metabolite Profiles of Pea (Pisum sativum L.) and Wheat (Triticum aestivum L.).

The growing interest in the use of zinc oxide nanoparticles (ZnO NPs) in agriculture creates a risk of soil contamination with ZnO NPs, which can lead to phytotoxic effects on germinating seeds and seedlings. In the present study, the susceptibility of germinating seeds/seedlings of pea and wheat to ZnO NPs of various sizes (≤50 and ≤100 nm) applied at concentrations in the range of 100-1000 mg/L was compared. Changes in metabolic profiles in seedlings were analyzed by GC and GC-MS methods. The size-dependent harmful effect of ZnO NPs on the seedling's growth was revealed. The more toxic ZnO NPs (50 nm) at the lowest concentration (100 mg/L) caused a 2-fold decrease in the length of the wheat roots. In peas, the root elongation was slowed down by 20-30% only at 1000 mg/L ZnO NPs. The metabolic response to ZnO NPs, common for all tested cultivars of pea and wheat, was a significant increase in sucrose (in roots and shoots) and GABA (in roots). In pea seedlings, an increased content of metabolites involved in the aspartate-glutamate pathway and the TCA cycle (citrate, malate) was found, while in wheat, the content of total amino acids (in all tissues) and malate (in roots) decreased. Moreover, a decrease in products of starch hydrolysis (maltose and glucose) in wheat endosperm indicates the disturbances in starch mobilization.

Investigation of Antioxidant and Antibacterial Effect of Chemical Compounds Cardamine uliginosa Plant

Background & Aims: Brassicaceae is a medium-sized family of flowering plants. The family contains more than 327 genera. Cardamine uliginosa is a type of plant of this species. Chemical and biochemical findings of this genus are very limited. This study aimed to investigate the chemical compounds and antioxidant and antibacterial properties of C. uliginosa. Materials and Methods: Essential oil was prepared by hydrodistillation method and microwave assisted hydrodistillation (MAHD). The chemical composition of essential oil was evaluated by GC and GC-MS methods. The antioxidant property of the hydroalcoholic extract was investigated by 2, 2-dipheny1-1-picrylhydrazyl (DPPH) solution. Finally, the antibacterial activity of C. uliginosa was investigated using minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) methods. Results: Phetalic acid, Phenil, Caryophyllene, Eicosane, and other chemical compounds were found in the essential oil of C. uliginosa. The half maximum inhibitory concentration (IC50) of hydroalcoholic extract was 0.42 µg/mL. The MIC and the MBC against both Escherichia coli and Staphylococcus aureus were 15.62 and 31.25 respectively. The major compounds in the essential oils were 3-methyl-4-isopropylphenol (15.20%) and 1, 2-benzenedicarboxylic acid (16.75%). Conclusion: Considering the chemical compounds of C. uliginosa and the finding of the antibacterial and antioxidant activity of C. uliginosa in vitro, capability of this plant needs to be further investigated for use in health and medical industries.

Assessment of machine learning-based methods predictive suitability for migration pollutants from microplastics degradation

The aim of the work was to assess the usefulness of machine learning in predicting the migration of pollutants from microplastics. The search for methods to reduce unnecessary laboratory analyzes is a necessary action both to protect the environment and from an economic perspective. Multiple regression, artificial neural networks, support vector method and random forest regression were used in the study to predict leaching of plasticizers and other contaminants from microplastics. The development of the methods were based on the results of laboratory tests obtained by the GC-MS method. The results obtained confirm the potential of artificial neural networks and the support vector method for effective modelling and prediction of chemical compounds leached from microplastics. Correlation results were obtained for the analyzed parameters between the data obtained in the model and laboratory data in the range of 0.96–0.98 and 0.93–0.99 for artificial neural networks and the support vector method, respectively. Multiple regression showed the lowest performance in all cases in predicting plastic phthalic acid esters (coefficient of determination (R2) in the range of 0.03–0.24). Environmental implicationThe results presented in this paper will provide new insight into the influence of different parameters and factors on the leaching of plastic additives. This information is necessary to assess the harmfulness of these materials. The collected data is unique on a global scale. For the first time, machine learning were used to predict the leaching rate of plasticizers from different polymers under different environmental conditions. The use of machine learning allows to reduce unnecessary laboratory tests and reduce costs and protect the environment. Currently, there are no research results in this field in the scientific literature.

DETERMINATION OF THE CHEMICAL COMPOSITION OF COUSINIA MINDSCHELKENSIS B. FEDTSCH. BY GAS CHROMATOGRAPHY-MASS SPECTROMETRY METHOD

Vegetation is important component and factor of the redistribution of chemical elements in the landscape. One or another type of vegetation determines the amount and nature of soil organic matter, often affects the degree of development of browning processes, affects the chemical composition of the air, is an environmental indicator. The study and isolation of physiologically active compounds from plant raw materials and the determination of the place of their demand is the most important urgent task. Cousinia mindschelkensis B. Fedtsch. It is a rare species from the Asteraceae. Methods. In the Research Center of Medicinal Plants of the Al-Farabi KazNU, analyses were carried out for the determination of organic compounds by gas chromatography with mass spectrometric detection and analyses of 70% of alcohol extracts of the aboveground and underground parts species by the method of high-performance liquid chromatography on a liquid chromatograph. Results. Some of the components identified by GC-MS are biologically active compounds. The GC-MS method revealed the presence of 55 phytochemical compounds in the aboveground and 38 in the underground part of plants that can contribute to the medicinal properties of this species. Conclusion. Compounds have some important biological potential for future drug development. Of the aboveground part of the plant includes bicyclo[2.2.1]heptan-2-one, 1.7.7-trimethyl-, (1S)- (9.50%), hexadecanoic acid (8.05%), cis-Vaccenic acid (7.66%), 9.12-Octadecadienoic acid (Z,Z)- (7.40%), hanphyllin (7.01%), 5.8-Dihydroxy-4a-methyl-4,4a,4b,5,6,7,8,8 a,9,10-decahydro-2(3H)-phenanthrenone (6.51%), dibutyl phthalate (5.64%), while the underground part of the plant has a spike of components such as octacosane (26.84%), β-amyrin (22.35%), β-sitosterol (12.63%), 9.12-Octadecadienoic acid (Z,Z)- (8.43%).9,12-Octadecadienoic acid (Z,Z)- it is present both in the aboveground (7.40%) and in the underground part of the plant (8.43%).

Isolasi Dan Identifikasi Terpenoid Fraksi Heksan Daun Premna serratifolia L. Menggunakan GC-MS

Buas-buas (Premna serratifolia L.) is a plant that belongs to the Verbenaceae family. Terpenoid compounds that exist in buas-buas plants have bioactivity as medicine. Terpenoid compounds are soluble compounds in n-hexane. The purpose of this study was to isolate and identify the terpenoid compounds contained in the n-hexane fraction of buas-buas leaves using the GC-MS method. The buas-buas leaves were macerated with 96% ethanol solvent and then fractionated using a separating funnel with n-hexane as solvent. The n-hexane fraction of buas-buas leaves was isolated using column chromatography with a gradient mobile phase combination of n-hexane and ethyl acetate, then identified using the GC-MS instrument. The terpenoid compounds found in the n-hexane fraction of buas-buas leaves are estimated to be neophytadiene; 3,7,11,15-tetramethyl-2-hexadecen-1-ol; and 2 hydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl) octahydronaphthalen-1-(2H)-one.

Determination of 323 pesticide residues in Iran’s cereal by GC-MS and HPLC-UV combined with QuEChERS extraction and mixed-mode SPE clean-up method

The conventional QuEChER method (easy, fast, effective, inexpensive, safe and rugged) was used and studied 323 pesticide residues in most common cereals in Iran. Dispersive solid-phase extraction (D-SPE) and clean up by primary-secondary amines (PSA) were used to complement the extraction of acetonitrile-based sample. This study demonstrates the validity of the QuEChERS method in three rice, wheat and corn matrices. The blank samples were spiked with a solution of 300 pesticides at 0.005–0.750 mg kg− 1 level (GC-MS) and 23 pesticides at level 0005–0.2 mg kg− 1 (HPLC-UV). In addition, linearity, recovery, limit of detection, quantification, matrix effects, inter-day and intra-day precision were evaluated. About 70–120% have been recorded to recover most compounds and less than 20 % Precision. The limits of detection (LOD) for pesticide residues was in the range of 0.0025–0.005 for GC-MS method and for pesticides analyzed by HPLC-UV was in the range of 0.003–0.027 mg kg-1.

Quantitative detection of formaldehyde using solid phase microextraction gas chromatography–mass spectrometry coupled to cysteamine scavenging

Formaldehyde (HCHO) is a toxic and carcinogenic pollutant and human metabolite that reacts with biomolecules under physiological conditions. Quantifying HCHO is essential for ongoing biological and biomedical research on HCHO; however, its reactivity, small size and volatility make this challenging. Here, we report a novel HCHO detection/quantification method that couples cysteamine-mediated HCHO scavenging with SPME GC–MS analysis. Our NMR studies confirm cysteamine as an efficient and selective HCHO scavenger that out-competes O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine, the most commonly used scavenger, and forms a stable thiazolidine amenable to GC–MS quantification. Validation of our GC–MS method using FDA and EMA guidelines revealed detection and quantification limits in the nanomolar and micromolar ranges respectively, while analysis of bacterial cell lysate confirmed its applicability in biological samples. Overall, our studies confirm that cysteamine scavenging coupled to SPME GC–MS analysis provides a sensitive and chemically robust method to quantify HCHO in biological samples.

Identification and classification of ATS in oral fluid based on Ag nanoassemblies on Si surface doped with Au nanobipyramids

Herein, a novel Ag NP substrate doped with Au nanobipyramids was designed and fabricated via a convenient procedure of galvanic reaction for the identification and classification of amphetamine-type stimulants (ATS) in oral fluids in combination with surface enhanced Raman scattering (SERS). The substrate was shown to have a three-dimensional nanostructure, high SERS activity, and good stability. In combination with SERS, the Ag NP substrate doped with Au nanobipyramids was able to detect ultra-low traces of ATS, including amphetamine, methylamphetamine (MA), 3,4-methylenedioxyamphetamine (MDA), and 3,4-methylenedioxymethylamphetamine (MDMA) in oral fluid with limit of detection (LOD) and limit of determination quantitation (LOQ) as low as 10–9 mg/mL, which is much better than the current spectroscopic techniques. The equations between concentration and peaks intensity for quantitative analysis displied good doublelogarithmic linear relations and reliability figures of merit at nanogram concentration level in compartion with GC–MS method. The approach can be broadly applied to the ultra-low trace detection of ATS in oral fluid and would be particularly useful for the analyses of nitrogenous organic compounds.

Could Zingiber officinale plant be effective against Omicron BA.2.75 of SARS-CoV-2?

Zingiber officinale plant was examined in this study. The chemicals found in this plant were identified using the GC-MS method. The activities of the determined chemical molecules against the SARS-CoV-2 Omicron variant were compared. We focused to determine whether Zingiber officinale plant would be an inhibitor against Omicron of SARS-CoV-2 in silico. As a result of theoretical calculations, Zingiber officinale plant was found to contain many chemicals as a result of GC-MS analysis. These chemicals were detected one by one and their activity values were calculated for the SARS-CoV-2 virus. As a result, molecules with high activity were detected. ADME/T properties were investigated in order to examine the drug properties of molecules with high activity. According to ADME/T results, these five molecules examined are suitable for use in human metabolism as drug molecules.

Development and Validation of a Solvent-Free Headspace GC-MS Method for the Screening of Benzyl Chloride in Pharmaceutical Products

This study presents a solvent-free headspace gas chromatography–mass spectrometry (SF-HS-GC/MS) method for robustly screening benzyl chloride, a mutagenic carcinogen, impurities in active pharmaceutical ingredients (APIs) and drug products. The SF-HS-GC/MS method simplifies analysis by eliminating solvent use, reducing matrix interference. Optimized headspace parameters include incubation temperature, time, and sample amount. Validation, aligned with Q2(R1) ICH guidelines and ICH M7 recommendations, covers selectivity, linearity, limit of detection (LOD), limit of quantification (LOQ), precision, accuracy, system suitability, and robustness. Employing a DB-5MS column (30 m × 0.25 mm, 0.25 µm) with solvent-free split injection, the method’s calibration curve (0.05–5 μg/g) exhibits a strong correlation (>0.9998). The LOQ was 0.1 μg/g, with precision (%CV) consistently <5% and accuracy within 95–105%. Furthermore, an investigation confirmed the absence of artefactual benzyl chloride formation in drug products under headspace conditions. The developed SF-HS-GC/MS method successfully screened benzyl chloride in cinnarizine drug substances and products.

Performance Evaluation of Bacterial Consortia from Low-Permeability Reservoir in Ordos Basin

The combination of strains of different species and genera may enhance the effects of single bacteria, surpass the tolerance upper limit, and optimize the viscosity reduction and degradation. In this study, six strains were isolated in low permeability layers of the Ordos Basin and were combined to verify the effect of the consortium strains. The selected single strains have good emulsifying and viscosity-reducing effects, but their degradation components are different. SC4561 (Bacillus cereus), SC4551 (Bacillus sp.), and H-1 (Brevibacillus sp.) form consortium A, and SC4534 (2) (Bacillus sp.), SC4542 (Bacillus licheniformis), and A-3 (Bacillus licheniformis) form consortium B. The performance of the mixed strains was evaluated by the analysis of change in emulsification rate, crude oil composition, viscosity, and the tolerance (temperature, salinity, and pH) through GC-MS, rotational rheometer, and other methods. The results showed that the temperature tolerance of the consortium strains was improved by 5-7°C. Consortium B had higher emulsibility ( E 24 was higher than 40% in average) and viscosity degradation (above 35%), and the crude oil in consortium B has almost no wall adhesion. The components of crude oil that consortia use were still diverse, including both long- and short-chain hydrocarbons. However, the proportion of long-chain n-alkanes is further reduced compared with that of single bacteria, and the highest ratio was reduced by 23.81% (B-ALL). At the same time, they also had effects on aromatic hydrocarbons with complex structures (phenanthrene and phenanthrene). This research confirms the enhanced effect of consortium bacteria on single bacteria, facilitating the implementation of microbial enhanced oil recovery technology in the future.

Microwave Assisted Hydrodistillation Essential Oil from Lime Peel Waste as Aromatherapy Candles

Flavonoids belong to the extensive group of polyphenol compounds. They can function as antioxidants and antibacterials by denaturing bacterial cell proteins and damaging bacterial cells. One source of essential oils is lime peel, which is often discarded and goes unused. The distillation method utilizes microwaves, offering an alternative to conventional distillation techniques and resulting in enhanced effectiveness and efficiency. The Microwave Assisted Hydrodistillation (MAHD) method proves to be more energy-efficient, environmentally friendly, rapid, safe, and cost-effective. This study aims to assess the impact of the MAHD method on the quantity and quality of essential oils extracted from lime peels. Laboratory tests are conducted in accordance with Indonesian national standards. The overarching objective is to establish a process that transforms discarded lime peels into aromatherapy candles, contributing to respiratory health. The MAHD method is employed with a sample mass to distilled water solvent ratio of 1:1. The resulting essential oil undergoes analysis using the GC-MS method. According to the GC-MS test results, the compound with the highest percentage area is limonene at 98%. This is followed by trans-caryophyllene at 99% with a retention time of 12.422, and beta-selinene at 99% with a retention time of 13.191.

Volatile compounds of grapefruit (Citrus Grandis (L.) Osbeck) peel essential oil by cold pressing and hydrodistillation methods

The study of the essential oils (EOs) extraction with high medicinal properties is necessary to contribute to the use of natural compounds. By using cold pressing and hydrodistillation methods, the content of grapefruit peel (Citrus grandis (L.) Osbeck) EOs was extracted. The chemical components of EOs was determined by GC-MS method. Results have shown that 10-12 compounds were detected in the grapefruit peel EOs, which are mainly monoterpenes such as D-Limonene (71.21%-74.83% and γ-Terpinene (15.70%-17.68%). The findings from the present study demonstrated a new research direction on chemical composition of the grapefruit EO, thereby contributing to applications ofthe natural compounds with high medicinal properties from grapefruit.

GC-MS method for identification of organic chemical compounds nutmeg flesh of North Minahasa local varieties

The organic chemical compound Myristica fragrans has been identified in North Minahasa Regency. This study succeeded in identifying Neoisolongifolane, hydroxy-, 1HCyclopropa [a]naphthalene, 1a, 2, 3, 5, 6, 7, 7a, 7b-octahydro-1, 1, 7, 7a-tetramethyl, [1aR(1aα,7a,7aα,7bα)]-; 4,7-Methanoazulene, 1, 2, 3, 4, 5, 6, 7, 8-octahydro-1, 4, 9, 9-tetramethyl-, [1S-(1a,4a,7a)]-; Patchouli alcohol, 1(2H)- Naphthalenone, octahydro-4a, 8a-dimethyl-7-(1-ethylethyl)- [4aR-(4aα,7ß,8aα)]-, and Isoleden.

GC-MS Analysis of Chemical Substances from Ethanolic Extract of Prosopis juliflora Leaves

The nutraceuticals in leaves are among the major contributors of their therapeutic relevance to human. This study evaluates the relevance of nutraceuticals obtained from the GC-MS analyses of ethanolic extracts of leaves of Prosopis juliflora. Leaves of Prosopis juliflora harvested from their natural territory and identified at the Plant Science Department of Mohmed Sathak A.J. College of Pharmacy, Sholinganallur, Chennai. Ethanol was used for extracting the crushed plant leaves (5 g) in order. Hot continuous soxhlet extraction was used to complete the extraction. The resulting extracts were kept at -4 °C until their next usage. The current investigation made use of ethanol extract. In the present investigation, the phytocomponents in the extracted substances were identified using the GC-MS method. Results shows 72 phytoconstituents in leaves of Prosopis juliflora, with gamma-Sitosterol, Epilupeol, Benzene methanol, 2-hydroxy-5-methyl-, as highest nutraceutical components with percentage concentrations of 12.94, 11.92 and 10.07 respectively. In order to improve human health, broad-spectrum pharmaceutical formulations are being developed that take advantage of the multiple therapeutic potentials of the main nutraceuticals found in Prosopis juliflora.

Chemical components and anti-acetylcholinesterase activity of Piper lolot leaves oil

Essential oil of Piper lolot leaves in Quang Nam-Da Nang do obtain via the steam distillation method with oil collection efficiency reaching 0.68%. The chemical components of the essential oil from Piper lolot leaves in Quang Nam-Da Nang are determined via the GC-MS method that includes 20 compositions (99.97%), among which the main compositions are myristicin (72.70%), asarone (5.16%), β-bisabolene (3.59%), γ-asarone (3.52%), caryophyllene (2.63%), and α-copaene (1.93%). The essential oil of Piper lolot leaves in Quang Nam-Da Nang also showed potent anti-acetylcholinesterase activity with IC50 (µg/mL) = 28.72±2.80 compared to galantamine (a positive control) and essential oils, extract from Piper species

Chemical composition and antimicrobial activity of Rosa Damascena mill. (variety rainbow) from clonal micropropagation

Damask rose of the Veselka variety is an important industrial rose variety used to obtain essential oil. It is widely used in modern cosmetology, perfumery, and aromatherapy. In addition, the essential oil of Damask rose has a whole spectrum of pharmacological properties.
 The scientific innovation of this research lies in its foundation on cultivating and acquiring planting materials of the Damask rose in vitro. This approach guarantees controlled conditions for plant growth, the production of robust seedlings, and an enhancement in the precision and credibility of the research outcomes.
 Moreover, the study has scientific novelty in that it explores to assess both the quantitative and qualitative constituents of the essential oil in the acquired plant material of the Damask rose. This assessment takes place within the context of cultivating regenerative plants in an outdoor environment. Such an approach acknowledges the potential distinctions in the oil's component composition acquired from plants propagated through this method in comparison to traditional vegetative reproduction. Lastly, the research has scientific novelty in investigating the potential antimicrobial properties of Damask rose essential oil, which could have significant practical implications in the development of new drugs and combatting infectious diseases.
 The purpose of the study was to establish the component composition of the essential oil of Rosa damascena Mill., which was grown in vitro, and to determine its antimicrobial effect.
 Methods. The object of the study was the essential oil of Damask rose of the Veselka variety, which was grown by the method of clonal micropropagation in vitro. The essential oil was extracted from fresh petals collected during dry weather conditions prior to sunrise by hydrodistillation. Determination of the qualitative composition and quantitative content of volatile substances was carried out by the GC-MS method using an Agilent 7890B chromatograph. Antimicrobial activity was studied in vitro using the disk diffusion method with reference test strains of microorganisms Escherichia coli ATCC 25922, Pseudomonas aeruginosa ATCC 27853, Staphylococcus aureus ATCC 25923, Candida albicans ATCC 885-653.
 Results. According to the results of the chromato-mass spectrometric study, 41 compounds (6 of which were in the isomeric state) were identified, which was belong to 13 different classes of chemicals. Dominant compounds among terpenoid substances were shown: geraniol – 30.96 %, citronellol – 27.08 %, alkanes: nonadecane – 17.29 %, and heneicosene – 5.46 %.
 It was established that the essential oil of Damask rose had a significant antimicrobial effect against strains of C. albicans and E. coli, the diameters of which growth retardation zones ranged from 32-35 mm and 20-23 mm, respectively. In studies with P. aeruginosa and S. aureus, the essential oil showed moderate antibacterial activity: the diameters of the growth retardation zone of these microorganisms ranged from 13 to 15 mm and 11 to 12 mm, respectively.
 Conclusion. For the first time, the qualitative composition and quantitative content of volatile substances in the essential oil extracted from the petals of Rosa damascena Mill., Veselka variety, cultivated through the clonal micropropagation in vitro, were explored by chromatography-mass spectrometry techniques. The results of the study of antimicrobial activity showed that the studied essential oil exhibits significant fungicidal effects against Candida microorganisms, along with moderate bactericidal effects on gram-negative (E. coli, P. aeruginosa) and gram-positive (S. Aureus) bacteria. These results highlight the potential of this essential oil for further investigation in the realm of developing novel medicines and herbal preparations. Further clinical studies are needed to assess this potential.

Quantification of (9R)- and (9S)-hexahydrocannabinol (HHC) via GC-MS in serum/plasma samples from drivers suspected of cannabis consumption and immunological detection of HHC and related substances in serum, urine, and saliva.

The semisynthetic cannabinoid hexahydrocannabinol (HHC) is currently getting a lot of media attention because the legal status in many countries is not clearly specified. In this study, a GC-MS method for the quantification of Δ9-tetrahydrocannabinol (THC), 11-hydroxy-Δ9-tetrahydrocannabinol (11-OH-THC), and 11-nor-9-carboxy-Δ9-tetrahydrocannabinol (THC-COOH) was extended to (9R)- and (9S)-HHC. The applicability was proven by serum/plasma samples from drivers suspected of cannabis consumption. Limit of detection (LOD) and lower limit of quantification (LLOQ) were 0.15 and 0.25 ng/mL, respectively. Within-run imprecision was <6.5% and between-run imprecision was <10.0%. Inter-injection stability, processed sample stability (3 days), freeze-thaw stability (three cycles), and storage stability (1 week room temperature; 1 month 4°C, -20°C) could be proven. Both HHC diastereomers could be detected in 17 (5.3%) out of 321 analyzed samples from traffic controls in Western Saxony. The mean ratio between (9R)- and (9S)-HHC was 1.99 (CV = 14.6%). Quantification resulted in concentrations between <LLOQ and 35.35 ng/mL for (9R)-HHC and <LLOQ and 21.76 ng/mL for (9S)-HHC. Additionally, cross-reactivities of HHC, 11-hydroxy-hexahydrocannabinol (11-OH-HHC), 11-nor-9-carboxy-hexahydrocannabinol (HHC-COOH), hexahydrocannabiphorol (HHC-P), hexahydrocannabinol acetate (HHC-O), and tetrahydrocannabidiol (H4-CBD) were evaluated in five immunological screening tests for serum, urine, and saliva. Urine test strips and ELISA tests for the detection in serum seem to be beneficial to detect HHC consumption in comparison with saliva tests. HHC analogs and H4-CBD showed no cross-reactivity with any of the tests.

The Characterization of Volatile Compounds Belonging to Some Lupin Genotypes By SPME GC-MS Method

Bu çalışmada, üç Lupinus albus L. ve iki L. angustifolius L. genotipi GC-MS ve SPME teknikleri kullanılarak uçucu veya yarı uçucu maddeler açısından araştırılmış ve karşılaştırılmıştır. Bu amaçla acı bakla tohumları el değirmeni yardımıyla öğütülmüş ve bu toz, ham madde içeriğinin belirlenmesinde kullanılmıştır. Bu acı bakla genotiplerinde yaklaşık olarak 102 bileşik ilk defa tanımlanmıştır. Bu bileşiklerden başlıcaları; benzene-methyl (1-methyl ethyl), 5-Allyl-4-(1-(p-aminophenyl) ethylidenehyl, 2-propen-1-ol, 3-phenyl-, m-Mentha-4,8, diene-(1S,3S)-(+), gamma terpinene dir. Bu bileşiklerin farklı genotiplerde ve farklı oranlarda bulunduğu tespit edilmiştir. Sonuç olarak, bitkilerden veya bitki parçalarından gelen aktif maddeleri ve olası potansiyellerini ortaya koymayı amaçlayan bu tür çalışmalar, gelecekte yapılacak daha spesifik çalışmalar açısından büyük önem taşımaktadır.

Effects of a Very-Low-Calorie Ketogenic Diet on the Fecal and Urinary Volatilome in an Obese Patient Cohort: A Preliminary Investigation.

Several recent studies deepened the strong connection between gut microbiota and obesity. The effectiveness of the very-low-calorie ketogenic diet (VLCKD) has been measured in terms of positive impact on the host homeostasis, but little is known of the modification exerted on the intestinal metabolome. To inspect this complex relationship, we analyzed both fecal and urinary metabolome in terms of volatile organic compounds (VOCs) by the GC-MS method in 25 obese patients that were under VLCKD for eight weeks. Partial least square discriminant analysis evidenced specific urinary and fecal metabolites whose profile can be considered a signature of a partial restore toward the host eubiosis. Specifically, among various keystone VOCs, the decreased concentration of four statistically significant fecal esters (i.e., propanoic acid pentyl ester, butanoic acid hexyl ester, butanoic acid pentyl ester, and pentanoic acid butyl ester) supports the positive effect of VLCKD treatment. Our pilot study results suggest a potential positive effect of VLCKD intervention affecting fecal and urinary volatilome profiles from obese patients. Meta-omics techniques including the study of genes and transcripts will help in developing new interventions useful in preventing or treating obesity and its associated health problems.