Chemical profiling of bioactive compounds in the methanolic extract of wild leaf and callus of Vitex negundo using gas chromatography-mass spectrometry.

BACKGROUND: The investigation of plant-based therapeutic agents in medicinal plants has revealed their presence in the extracts and provides the vision to formulate novel techniques for drug therapy. Vitex negundo (V. negundo), a perennial herb belonging to the Varbanaceae family, is extensively used in conventional medication. AIM: To determine the existence of therapeutic components in leaf and callus extracts from wild V. negundo plants using gas chromatography-mass spectrometry (GC-MS). METHODS: In this study, we conducted GC-MS on wild plant leaf extracts and correlated the presence of constituents with those in callus extracts. Various growth regulators such as 6-benzylaminopurine (BAP), 2,4-dichlorophenoxyacetic acid (2,4-D), α-naphthylacetic acid (NAA), and di-phenylurea (DPU) were added to plant leaves and in-vitro callus and grown on MS medium. RESULTS: The results clearly indicated that the addition of BAP (2.0 mg/L), 2,4-D (0.2 mg/mL), DPU (2.0 mg/L) and 2,4-D (0.2 mg/mL) in MS medium resulted in rapid callus development. The plant profile of Vitex extracts by GC-MS analysis showed that 24, 10, and 14 bioactive constituents were detected in the methanolic extract of leaf, green callus and the methanolic extract of white loose callus, respectively. CONCLUSION: Octadecadienoic acid, hexadecanoic acid and methyl ester were the major constituents in the leaf and callus methanolic extract. Octadecadienoic acid was the most common constituent in all samples. The maximum concentration of octadecadienoic acid in leaves, green callus and white loose callus was 21.93%, 47.79% and 40.38%, respectively. These findings demonstrate that the concentration of octadecadienoic acid doubles in-vitro compared to in-vivo. In addition to octadecadienoic acid; butyric acid, benzene, 1-methoxy-4-(1-propenyl), dospan, tridecanedialdehyde, methylcyclohexenylbutanol, chlorpyrifos, n-secondary terpene diester, anflunine and other important active compounds were also detected. All these components were only available in callus formed in-vitro. This study showed that the callus contained additional botanical characteristics compared with wild plants. Due to the presence of numerous bioactive compounds, the medical use of Vitex for various diseases has been accepted and the plant is considered an important source of therapeutics for research and development.

Dynamics of alkaloid accumulation in Narcissus cv. Hawera: a source of Sceletium-type alkaloids.

The Sceletium-type alkaloids, known for their anxiolytic and antidepressant activities, have been recently found to be biosynthesized in Narcissus cv. Hawera, which is largely used as an ornamental plant. An alkaloid fraction enriched with Sceletium-type alkaloids from the plant has shown promising antidepressant and anxiolytic activities. In the present study, qualitative and quantitative analyses of the alkaloids in the plant organs were performed during one vegetation season by GC-MS. The alkaloid pattern and total alkaloid content was found to depend strongly on the stage of development and plant organ. The alkaloid content of bulbs was found to be highest during the dormancy period and lowest in sprouting bulbs. The leaves showed the highest alkaloid content during the intensive vegetative growth and lowest during flowering. In total, 13 alkaloids were detected in the methanol extracts of Narcissus cv. Hawera, six Sceletium-type and seven typical Amaryllidaceae alkaloids. Major alkaloids in the alkaloid pattern were lycorine, 6-epi-mesembrenol, mesembrenone, sanguinine, and galanthamine. The leaves of flowering plants were found to have the highest amount of 6-epi-mesembrenol. Mesembrenone was found to be dominant alkaloid in the leaves of sprouting bulbs and in the flowers. Considering the biomass of the plant, the dormant bulbs are the best source of alkaloid fractions enriched with 6-epi-mesembrenol. The flowers and the young leaves can be used for preparation of alkaloid fractions enriched with mesembrenone. The results indicates that Narcissus cv. Hawera is an emerging source of valuable bioactive compounds and its utilization can be extended as a medicinal plant.

Multifaceted analysis of the effects of roasting conditions on the flavor of fragrant Camellia oleifera Abel. seed oil.

Fragrant Camellia oleifera Abel. seed oil (FCSO), produced by a roasting process, is popular for its characteristic aroma. This study investigated the effects of various roasting temperatures (90℃, 120℃, 150℃, 180℃) and durations (20 min, 40 min, 60 min) on the flavor of FCSO by physicochemical properties, hazardous substances, sensory evaluation, and flavor analyses. The results showed that FCSO roasted at 120℃/20 min had a reasonable fatty acid composition with a lower acid value (0.16 mg/g), peroxide value (0.13 g/100 g), p-anisidine value (2.27), dibutyl phthalate content (0.04 mg/kg), and higher 1,1-diphenyl-2-picrylhydrazyl free radical scavenging activity (224.51 µmol TE/kg) than other samples. A multivariate analysis of FCSO flavor revealed that the 120℃/20 min group had a higher grassy flavor score (5.3 score) from nonanoic acid and a lower off-flavor score (2.2 score) from 2-methylbutyric acid. The principal component analysis showed that 120℃/20 min could guarantee the best flavor and quality of FCSO. Therefore, this information can guide the preparation of FCSO.

Reducing microplastics in tea infusions released from filter bags by pre-washing method: Quantitative evidences based on Raman imaging and Py-GC/MS.

Microplastics released from plastic-based filter bags during tea brewing have attracted widespread attention. Laser confocal micro-Raman and direct classical least squares were used to identify and estimate micron-sized microplastics. Characteristic peaks from pyrolysis-gas chromatography/mass spectrometry of polyethylene terephthalate, polypropylene, and nylon 6 were selected to construct curves for quantification submicron-sized microplastics. The results showed that microplastics released from tea bags in the tea infusions ranged from 80 to 1288 pieces (micron-sized) and 0 to 63.755 µg (submicron-sized) per filter bag. Nylon 6 woven tea bags released far fewer microplastics than nonwoven filter bags. In particular, a simple strategy of three pre-washes with room temperature water significantly reduced microplastic residues with removal rates of 76 %-94 % (micron-sized) and 80 %-87 % (submicron-sized), respectively. The developed assay can be used for the quantitative evaluation of microplastics in tea infusions, and the pre-washing reduced the risk of human exposure to microplastics during tea consumption.

A small-scale silica gel column chromatography method for separating carbazole compounds from highly mature crude oil.

The concentration of carbazoles in highly mature crude oil is quite low, making it challenging to separate carbazole compounds for the gas chromatography-mass spectrometry (GC-MS) detection. This study presents a small-scale column chromatography method for separating carbazoles from highly mature crude oil using silica gel as a solid phase adsorbent and a Pasteur pipette as a separation device. The carbazole-rich crude oil from the Pearl River Mouth Basin was selected to explore the impact of reagent polarity and injection mode on the separation of carbazoles. The oil sample was eluted with solvents mixed with different volume proportions of n-hexane and dichloromethane and each eluted fraction was collected for GC-MS testing. The results indicated that increasing the reagent polarity caused the aromatic hydrocarbons and carbazole compounds in crude oil to be eluted sequentially. Most aromatic compounds in the crude oil could be selectively eluted using a reagent polarity ratio of 9:1 (Vn-hexane: Vdichloromethane), with no carbazole compounds. A significant amount of carbazole compounds were eluted in the polar segments of 8:2-6:4, with the eluted carbazoles concentration accounting for more than 98 % of the total concentration. Moreover, the concentration and recovery of carbazoles eluted by direct injection mode were about 10 % higher than those after adsorption by silica gel. The standard deviation of the parameter ratio for the separated carbazole compounds in the three groups of repeatable parallel experiments was less than 0.2 %. Our method is superior to traditional two-step method and C18 column method in separation efficiency and damage to human body. This method can be applied to both highly mature crude oil and other kinds of oils including biodegradable oil. It could be a versatile method for the carbazoles separation and provide technical support in unveiling the geochemical implications of these compounds in complex areas.

Effect of a Composite Alginate/Grape Pomace Extract Packaging Material for Improving Meat Storage.

The development of food packaging materials that reduce the production of plastic, preserving at the same time the quality of food, is a topic of great interest today for the scientific community. Therefore, this article aims to report the effectiveness of an eco-friendly packaging material based on alginic acid and grape pomace extract from Vitis vinifera L. (winemaking by-products) for storing red meat in a domestic refrigerator. Specifically, biogenic amines are considered "sentinels" of the putrefactive processes, and their presence was thus monitored. For this purpose, an experimental analytical protocol based on the use of solid-phase microextraction coupled with gas chromatography-mass spectrometry was developed during this work for the determination of six biogenic amines (butylamine, cadaverine, isobutylamine, isopentylamine, putrescine, and tyramine). Moreover, by combining the analytical results with those of pH and weight loss measurements, differential scanning calorimetry, and microbiological analysis, it was proved that the studied materials could be proposed as an alternative packaging material for storing foods of animal origin, thus lowering the environmental impact according to sustainability principles.

Network pharmacology-based anti-colorectal cancer activity of piperlonguminine in the ethanolic root extract of Piper longum L.

Colorectal cancer (CRC) has the second highest incidence and fatality rates of any malignancy, at 10.2 and 9.2%, respectively. Plants and plants-based products for thousands of years have been utilized to treat cancer along with other associated health issues. Alkaloids are a valuable class of chemical compounds with great potential as new medicine possibilities. Piper longum Linn contains various types of alkaloids. In this research, the ethanolic root extract of P. longum (EREPL) is the subject of study based on network pharmacology. Two alkaloids were chosen from the gas chromatography mass spectrometry (GC-MS) analysis. However, only piperlonguminine received preference because it adhered to Lipinski's rule and depicted no toxicity. Web tools which are available online, like, Swiss ADME, pkCSMand ProTox-II were used to evaluate the pharmacokinetics and physiochemical properties of piperlonguminine. The database that SwissTargetPrediction and TCMSP maintain contains the targets for piperlonguminine. Using DisGeNET, GeneCards and Open Targets Platform databases, we were able to identify targets of CRC. The top four hub genes identified by Cytoscape are SRC, MTOR, EZH2, and MAPK3. The participation of hub genes in colorectal cancer-related pathways was examined using the Kyoto Encyclopaedia of Genes and Genomes (KEGG) database. The colorectal cancer pathway, the ErbB signaling pathway and the mTOR signaling pathway emerged to be important. Our findings show that the hub genes are involved in the aforementioned pathways for tumor growth, which calls for their downregulation. Additionally, piperlonguminine has the potential to become a successful medicine in the future for the treatment of CRC.

Effects of different over-fired drying methods on the aroma of Lu'an Guapian tea.

Over-fired drying, a crucial process in the production of Lu'an Guapian (LAGP) tea, greatly enriches the tea's aroma. In this study, the aroma compounds of LAGP tea processed through pulley charcoal drying (PCD), roller drying (RD), roller-conveyor drying (RCD), and hot air drying (HD) were analyzed using gas chromatography-mass spectrometry. A subsequent analysis of aroma extraction dilution analysis and odor activity values revealed that (E)-ß-ionone, dimethyl sulfide, (E,E)-2,4-heptadienal, geraniol, linalool, benzeneacetaldehyde, coumarin, 2-ethyl-3,5-dimethyl-pyrazine, indole, hexanal, (Z)-jasmone, and (Z)-3-hexen-1-ol were the key contributors to the samples' aroma variation. Moreover, a quantitative descriptive analysis and aroma recombination and omission experiments analysis revealed that (E)-ß-ionone is the most critical contributor to the formation of floral aroma in tea processed using PCD, whereas (E,E)-2,4-heptadienal is responsible for the more pronounced fresh aroma in tea processed using HD. In addition, 2-ethyl-3,5-dimethyl-pyrazine contributes to the formation of a roasted aroma in tea processed using RD and RCD. The study results provide a theoretical basis for choosing the processing method, especially for drying, to obtain high-quality LAGP tea.

<i>In vitro</i> Characterization of the Essential Oil Extracted from <i>Lavandula dentata</i> and its Application in the Field of Biotherapy.

&lt;b&gt;Background and Objective:&lt;/b&gt; &lt;i&gt;Lavandula dentata &lt;/i&gt;essential oil holds promise as a valuable natural resource with diverse therapeutic potential. The main objective of this study was to investigate the bioactivities of &lt;i&gt;Lavandula dentata &lt;/i&gt;essential oil, specifically its antimicrobial, analgesic, anti-diabetic and anticoagulant properties. &lt;b&gt;Materials and Methods:&lt;/b&gt; The Algerian medicinal plant &lt;i&gt;Lavandula dentata &lt;/i&gt;EO was collected from Tipaza City (Algeria). The hydro-distillation method was used to get yield of essential oil. The GC/MS analysis was done to identify the bioactive compound of &lt;i&gt;Lavandula dentata&lt;/i&gt; EO. The antimicrobial activity of&lt;i&gt; L. dentata &lt;/i&gt;essential oil (EO) was assessed using the disc diffusion method against eight different microorganisms. The antidiabetic and anticoagulant activity was also studied. &lt;b&gt;Results:&lt;/b&gt; The hydrodistillation method yielded approximately 0.4% of essential oil. The GC/MS results showed that &lt;i&gt;L. dentata&lt;/i&gt; EO contains a total of 18 elements and the main constituents were 1.8-cineole (41.48%) and β-pinene (33.43%). The EO exhibited a robust inhibitory effect on the growth of all tested microorganisms, with inhibitory diameters ranging from 16.6 to 38.5 mm. &lt;i&gt;Lavandula dentata&lt;/i&gt; EO presented anti-diabetic activity by inhibiting the α-amylase enzyme, with an IC&lt;sub&gt;50&lt;/sub&gt; value of approximately 135.08±0.25 μg mL&lt;sup&gt;–1&lt;/sup&gt;, demonstrating significant anti-diabetic activity and anti-coagulant activity. &lt;b&gt;Conclusion:&lt;/b&gt; &lt;i&gt;Lavandula dentata&lt;/i&gt; EO processes great antimicrobial, analgesic, anti- diabetic and anticoagulant properties. Further investigations into its mechanisms of action and safety profile are warranted to fully exploit its therapeutic potential.

Structural characterisation of bioactive compounds of Gymnosporia senegalensis (Lam.) Loes. using advanced analytical technique like FT-IR, GC-MS and 1H-NMR spectroscopy.

The present investigation was carried out to characterise bioactive components from G. senegalensis by using Fourier-transform infra-red (FT-IR) spectroscopy, 1H-nuclear magnetic resonance spectroscopy, and gas chromatography-mass spectrometry (GC-MS). The FTIR analysis confirmed the presence of > CH2, -CH3, C = C-C, C-H, C-F, C = C, -C = N-, C-C = N-, and -OH functional groups. The 1H-NMR spectrum revealed the presence of structures of four bioactive compounds i.e. tetratetracontana derivative, ß-carotene, amyrin, and terpineol. GC-MS revealed the presence of different types of high and low molecular weight chemical entities with varying quantities including volatile and essential oil, monoterpenoid, tetraterpenoid, carotenoid, terpenoid, triterpenes, and nortriterpenes. From the results, it could be concluded that G. senegalensis contains various bioactive compounds of biological and pharmacological importance. Overall, this study will provide insight into the characterisation and development of drugs from medicinal plants.

Metabolomic analysis for disclosing nutritional and therapeutic prospective of traditional rice cultivars of Cauvery deltaic region, India.

Traditional rice is gaining popularity worldwide due to its high nutritional and pharmaceutical value, as well as its high resistance to abiotic and biotic stresses. This has attracted significant attention from breeders, nutritionists, and plant protection scientists in recent years. Hence, it is critical to investigate the grain metabolome to reveal germination and nutritional importance. This research aimed to explore non-targeted metabolites of five traditional rice varieties, viz., Chinnar, Chithiraikar, Karunguruvai, Kichili samba, and Thooyamalli, for their nutritional and therapeutic properties. Approximately 149 metabolites were identified using the National Institute of Standards and Technology (NIST) library and Human Metabolome Database (HMDB) and were grouped into 34 chemical classes. Major classes include fatty acids (31.1-56.3%), steroids and their derivatives (1.80-22.4%), dihydrofurans (8.98-11.6%), prenol lipids (0.66-4.44%), organooxygen compounds (0.12-6.45%), benzene and substituted derivatives (0.53-3.73%), glycerolipids (0.36-2.28%), and hydroxy acids and derivatives (0.03-2.70%). Significant variations in metabolite composition among the rice varieties were also observed through the combination of univariate and multivariate statistical analyses. Principal component analysis (PCA) reduced the dimensionality of 149 metabolites into five principle components (PCs), which explained 96% of the total variance. Two clusters were revealed by hierarchical cluster analysis, indicating the distinctiveness of the traditional varieties. Additionally, a partial least squares-discriminant analysis (PLS-DA) found 17 variables important in the projection (VIP) scores of metabolites. The findings of this study reveal the biochemical intricate and distinctive metabolomes of the traditional therapeutic rice varieties. This will serve as the foundation for future research on developing new rice varieties with traditional rice grain metabolisms to increase grain quality and production with various nutritional and therapeutic benefits.

In-silico Assessment of Polyherbal Oils as Anti-diabetic Therapeutics.

BACKGROUND: Diabetes mellitus (DM) is characterized by elevated blood glucose levels either due to insufficient insulin production, defective insulin action, or both. It affects nearly 537 million individuals worldwide. Pharmacological treatment involves the use of oral antidiabetic agents as mono or combination therapy that effectively aids in controlling hyperglycemia. Despite providing therapeutic benefits, these medications limit their use owing to adverse side effects. Certain natural products, including essential oils, have promising anti-diabetic properties. OBJECTIVE: The present study explores the effectiveness of two polyherbal oils and their compound towards the treatment of DM based on an In-silico approach to drug investigations. METHODS: Compounds present in the polyherbal oil formulation were identified using GCMS/MS analysis. Selected compounds undergo molecular docking with the receptor, and proteins play an important role in DM. The potential compounds showing higher interactions than the known inhibitors or inducers were evaluated using molecular dynamic simulations RMSD values. RESULTS: The compounds identified through GC-MS analysis possess anti-diabetic and antiinflammatory properties. With the aid of in silico prediction methods, compounds such as geraniol, cinnamaldehyde, anethole, caryophyllene, terpinyl acetate, cymene, linalool, menthol, Phenol,2-methoxy-3-(2-propenyl), and 2,6- octadienal,3,7-dimethyl were identified as strong binders of GLUT4 and insulin receptor proteins. Geraniol and Phenol,2-methoxy-3-(2-propenyl) interaction with GLUT4 were of particular importance owing to their conformational stability. CONCLUSION: Our data suggest an agonistic effect of compounds on target proteins aiding in enhanced insulin activity and could serve as a potential anti-diabetic agent.

Investigation of a membrane bioreactor's performances in treating sunflower oil refinery wastewater containing high oleic acid at different SRTs.

This study investigated the MBR performance, sludge morphology, and membrane fouling potential in treating sunflower oil refinery wastewater containing high oleic acid at three different SRTs of 10 days, 40 days, and infinite. The analysis of mixed liquor morphology including sludge volume index, PSD, EPS, and SMP showed that the sludge flocs compressibility and bioflocculation considerably improved at 40-days SRT. Additionally, at this SRT, the mixed liquor O&G, COD, and SMP accumulation were low, and the microbial activity and COD removal were enhanced. The gas chromatography/mass spectrometry analysis results confirmed the formation of three different new compounds related to non-readily biodegradable recalcitrant oily compounds and SMP at all SRTs. The analysis of mixed liquor EPS, PSD, SMP, and effluent COD at three different SRTs suggests that under the industrial conditions of MBR operation treating SORW with high oleic acid, the optimal operating conditions are predicted to be at 40-days SRT.

Phytochemical Composition and Antibacterial Activity of Barleria albostellata C.B. Clarke Leaf and Stem Extracts.

Barleria albostellata (Acanthaceae) is a shrub located in South Africa and is relatively understudied. However, plants within this genus are well known for their medicinal and ethnopharmacological properties. This study aimed to characterise the phytochemical compounds and antibacterial efficacies of B. albostellata. Phytochemical analysis, fluorescence microscopy and gas chromatography-mass spectrometry (GC-MS) analysis were performed to determine the composition of compounds that may be of medicinal importance. Crude leaf and stem extracts (hexane, chloroform and methanol) were subjected to an antibacterial analysis against several pathogenic microorganisms. The qualitative phytochemical screening of leaf and stem extracts revealed the presence various compounds. Fluorescence microscopy qualitatively assessed the leaf and stem powdered material, which displayed various colours under bright and UV light. GC-MS chromatograms represents 10-108 peaks of various compounds detected in the leaf and stem crude extracts. Major pharmacologically active compounds found in the extracts were alpha-amyrin, flavone, phenol, phytol, phytol acetate, squalene and stigmasterol. Crude extracts positively inhibited Gram-positive and Gram-negative bacteria. Significance was established at p < 0.05 for all concentrations and treatments. These results indicate that the leaves and stems of B. albostellata are rich in bioactive compounds, which could be a potential source of antibacterial agents for treating various diseases linked to the pathogenic bacteria studied. Future discoveries from this plant could advance the use of indigenous traditional medicine and provide novel drug leads.

Nutritional Assessment of Lactarius drassinus and L. controversus from the Cold Desert Region of the Northwest Himalayas for Their Potential as Food Supplements.

Kargil is a cold desert with hostile ecological conditions such as low temperature and precipitation, as well as difficult terrains. However, several wild mushrooms thrive well under such an extreme environment. Despite their abundance, the chemical composition of indigenous mushrooms has not been explored. This study aimed to assess the potential of two wild edible mushrooms from Kargil, Lactarius drassinus and Lactarius controversus, as food supplements by evaluating their nutritional and nutraceutical properties. Nutritional attributes such as total protein, available carbohydrates, soluble sugars, and vitamins were found to be high in the mushroom species. Furthermore, high mineral accumulation and relatively lower antinutrient concentrations resulted in higher bioavailabilities of Zn, Fe, Ca, and Mg. Gas-chromatography-mass-spectrometry-based metabolite profiling revealed that although the two mushroom species showed similar metabolite compositions, their relative concentrations differed. Sugars were the predominant compounds identified in both the species, with sugar alcohols being the major contributor. The second most abundant class of compound in L. drassinus was amino acids, with 5-oxoproline as the major contributor. On the other hand, fatty acids were the second most abundant compounds in L. controversus, with high oleic and linoleic acid concentrations. In the ultra-performance-liquid-chromatography-based quantification of phenolic compounds, chlorogenic acid was found to be highest in in terms of its concentration in both the mushrooms studied, followed by quercetin dihydrate and gallic acid in L. drassinus and L. controversus, respectively. Moreover, high antioxidant activities attributable to their high phenol, flavonoid, and carotenoid concentrations were observed. Overall, the two mushrooms offer well-balanced sources of nutritional and nutraceutical compounds, making them healthy foods.

Quantitative analysis and survey of 9,10-anthraquinone contaminant in Chinese Liupao tea.

Recently, 9,10-anthraquinone (AQ) contamination in Chinese Liupao tea has attracted much attention because the tea for export must meet the EU limit (10 µg kg-1). In this study, a method was developed in which the sample was extracted with n-hexane-acetone solution, then purified with Florisil adsorbent, detected by GC-MS/MS and contamination levels of AQ determined using an internal standard. This method was found to be more suitable for Liupao tea and other dark tea complex substrates than the QuEChERS procedure. The sample pre-treatment method was optimized with respect to extraction reagent and clean-up column adsorbent and n-hexane-acetone selected as the optimal extraction solvent. When the content of Florisil in the column was 1.0 g, the optimum clean-up was achieved. The new method reduced the limit of quantification (LOQ) of AQ to 10 µg kg-1, and accuracy was also further improved. The recovery of AQ-fortified tea samples containing 20-100 µg·kg-1 was 94.5-100.4%, and the relative standard deviation (RSD) was less than 1.3%. In a small survey, 98 Liupao tea samples on the market were tested by the new method. It was found that 61 samples were positive (occurrence rate 63.3%), and thus exceeded the EU limit (10 µg kg-1). This study also found that the contamination of AQ in Liupao tea increased with the length of ageing. The source of AQ in the Liupao tea ageing process will be the focus of further research.

A useful species identification and quality control using volatile patterns of ssajuari-ssuk and sajabal-ssuk (Artemisia princeps Pamp. cv. ssajuari and Artemisia princeps Pamp. cv. sajabal; Korean mugwort) according to air-drying term by fast gas chromatography with uncoated surface acoustic wave sensor.

INTRODUCTION: Ssajuari-ssuk and sajabal-ssuk have many clinical benefits. It is difficult to discriminate between these two species based on general characteristics aside from the shapes of the leaves. Thus, species identification and quality control between ssajuari-ssuk and sajabal-ssuk are of great concern in plant science and clinical therapy. OBJECTIVE: The aim of this study is to determine whether fast gas chromatography with uncoated surface acoustic wave sensor (GC-SAW) can be a useful technique for performing species identification and quality control using volatile patterns of ssajuari-ssuk and sajabal-ssuk air-dried for 4 months and 2 years and 4 months. METHODOLOGY: Fast GC-SAW sensor provides second unit analysis, simple, on-line measurements that do not require pretreatment of the sample and rapid sensory information. Headspace solid-phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC-MS) was employed to confirm the identification of the volatiles and compared to fast GC-SAW sensor. RESULTS: In air-dried sajabal-ssuk, the concentration of 1,8-cineole was higher than that in air-dried ssajuari-ssuk, while the level of α-thujone was considerably lower than that of air-dried ssajuari-ssuk. Each of ssajuari-ssuk and sajabal-ssuk air-dried for 4 months and 2 years and 4 months has its own characteristic volatile pattern owing to its individual chemotypes or chemical compositions. CONCLUSION: Consequently, the fast GC-SAW sensor can be a useful technique for species identification and quality control using volatile patterns of ssajuari-ssuk and sajabal-ssuk air-dried for 4 months and 2 years and 4 months. This method can be used for the standardisation of quality control using volatile patterns of herbal medicines.

Tracing the origin of Taiping Houkui green tea using 1H NMR and HS-SPME-GC-MS chemical fingerprints, data fusion and chemometrics.

The narrow geographical traceability of green tea is both important and challenging. This study aimed to establish multi-technology metabolomic and chemometric approaches to finely discriminate the geographic origins of green teas. Taiping Houkui green tea samples were analyzed by headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry and 1H NMR of polar (D2O) and non-polar (CDCl3). Common dimension, low-level and mid-level data fusion approaches were tested to verify if the combination of several analytical sources can improve the classification ability of samples from different origins. In assessments of tea from six origins, the single instrument data test set results in 40.00% to 80.00% accuracy. Data fusion improved single-instrument performance classification with mid-level data fusion to obtain 93.33% accuracy in the test set. These results provide comprehensive metabolomic insights into the origin of TPHK fingerprinting and open up new metabolomic approaches for quality control in the tea industry.

Evaluation of Different Processes Impact on Flavor of Camellia Seed Oil Using HS-SPME-GC/MS.

In this study, the flavor compounds of Camellia seed oils obtained by four processes were characterized by headspace solid phase microextraction/gas chromatography/mass spectrometry (HS-SPME/GC/MS). A variety of about 76 volatile flavor compounds were identified from all the oil samples. Of the four processing processes, the pressing process can retain a lot of volatile components. Among these, compounds nonanal and 2-undecenal were predominantly in the majority of the samples. Meanwhile, other compounds such as octyl ester formic acid, octanal and 2-nonenal (E), 3-acetyldihydro 2(3H)-furanone, (E)-2-decenal, dihydro-5-penty 2(3H)-furanone, nonanoic acid, and dodecane were also among the most consistently found compounds among the oil samples analyzed. The principal component analysis carried out to categorize the data produced seven clusters of the total oil samples based on the number of flavor compounds obtained in each sample. This categorization would lead to understanding the components which highly contributed to the characteristic volatile flavor and build up the flavor profile of Camellia seed oil.

Metabolic profiles in plasma of patients with herpes labialis based on GC-MS.

OBJECTIVE: This study aims to compare the plasma metabolic profiles of patients with herpes labialis with healthy controls and identify the biomarkers of herpes labialis. SUBJECTS AND METHODS: We collected 18 patients with herpes labialis and 20 healthy individuals. Plasma samples from both groups were analyzed using gas chromatography-mass spectrometry (GC-MS). RESULTS: According to the principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA), we found that metabolic profiles had changed in patients with herpes labialis compared to the controls. By further selecting the different metabolites according to the variable importance in the projection (VIP) and p valve of t-tests, we found that acetic acid, pyroglutamic acid, alanine, ethanedioic acid, cyclohexaneacetic acid, pyruvic acid, d-mannose, phosphoric acid, l-amphetamine, and citric acid were decreased in patients with herpes labialis, while sedoheptulose and ethylamine were increased. Pathway analysis showed that herpes labialis may affect the amino acid and energy metabolism. CONCLUSIONS: Our findings may contribute to elucidating the metabolic basis of herpes labialis and provide a new perspective for further research on the "Shang-Huo" state in traditional Chinese medicine (TCM).