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This work focuses on the profiling of semiochemicals (SCS) from Callosobruchus maculatus, Sitophilus oryzae and Tribolium castaneum by headspace solid-phase microextraction (HS-SPME) coupled with gas chromatography–mass spectrometry (GC–MS) technique. Totally, 6, 9 and 8 volatile compounds (VCS) were detected from C. maculatus, S. oryzae and T. castaneum, respectively. As a result of pherobase analysis and preference bioassay, stearic acid (C. maculatus); nonanal, lauric acid and stearic acid (S. oryzae); stearic acid (T. castaneum) were identified as new SCS that could be useful for integrated pest management (IPM) practices. [ABSTRACT FROM AUTHOR]

The present study is the first to extract the bioactive metabolites from Olea europaea fruit using the Soxhlet-maceration extraction method. The preliminary phytochemical; Fourier transform-infrared spectroscopy (FT-IR); gas chromatography-mass spectrometry (GC-MS) analyses, and their potential against SARS-CoV-2 Mpro through molecular docking were studied. The preliminary qualitative phytochemical analyses showed coumarin glycosides, tannins, terpenoids, cholesterol, carbohydrates, and proteins. FT-IR spectroscopy revealed C-H, C = O, O-H, C-N, C-O-C, C-O, CO-O-CO, C = C, and C-Br functional groups in the extract. GC-MS analysis was done and the compounds detected were docked against SARS-CoV-2 Mpro using AutoDock Vina.The squalene (ΔG = −6.2 kcal/mol) posed the best inhibition potential and was comparable with the control drug remdesivir. The compounds possessed excellent pharmacokinetic and toxicity properties and are safe and reliable. Thus, the present research unveiled the valuable metabolites from O. europaea and their antiviral potential against the SARS-CoV-2. [ABSTRACT FROM AUTHOR]

In the present report, a combination of classical and advanced methods, namely classical hydrodistillation (HD) and solvent free microwave extraction (SFME) have been used for the extraction of essential oils from flowers, leaves and stems of Perovskia abrotanoides Karel. as an endemic plant to Golestan Province, Iran. The volatile fractions from the same plant organs have been separated using a solid phase microextraction (SPME) fibre and characterised using a GC/MS apparatus. Moreover, oxygenated monoterpenes, for example, 1,8-cineole and borneol were found as the most constituent components of the majority of the characterised profiles. Accordingly, for flowers, leaves and stems of P. abrotanoides Karel., the relevant quantities were HD: 12.0 and 12.4, 24.0 and 17.9, 12.9 and 16.8%; SFME: 15.6 and 15.2, 20.5 and 16.2, 13.5 and 14.7%; SPME: 20.9 and 5.2, 25.5 and 9.9, 26.4 and 8.5%, respectively. Total phenolic content (TPC: 52.02 mg GAE/g), total flavonoids content (TFC: 98.46 mg QE/g) as well as antioxidant and antibacterial effects of the extract from the aerial parts of this species have been also evaluated. The cytotoxicity of Perovskia abrotanoides Karel. MeOH extract has been tested against HUVECs cell line. Moreover, our study on the in vitro anti-bladder carcinoma demonstrated that the plant extract reduced the viability of malignant bladder cell line, in a dose dependent way.

The aim of the study was to characterise the chemical composition of the essential oil extracted from a Chinese traditional aromatic herb, Artemisia sieversiana Ehrhart ex Willd and investigate its antimicrobial activities against Staphylococcus aureus , the test bacterium, using thin-layer chromatography-direct bioautography (TLC-DB). Gas chromatography-mass spectrometry analysis showed that the essential oil was dominated by chamazulene (44.44%). Undeveloped TLC-DB enabled the measurement of zone of inhibition as valid as and more sensitive than the traditional agar diffusion method. The overall antimicrobial effect was weak at the tested concentration range and the antimicrobial strength did not exhibit concentration dependence. At high essential oil concentration (>1000μg/ml), size of zone of inhibition was all <7mm. Developed TLC-DB separated the components and visualised the inhibition of bacterial growth on the plate surface where the active antimicrobials were determined to be the minor components, hydroxylated terpenes, rather than the dominant component, chamazulene.

Salvia miltiorrhiza and Salvia prattii seeds are rich in metabolites that are beneficial to human health and can be utilised as nutritional supplements. In this study, UPLC-MS and GC-MS based on extensively focused metabolomics were used to compare the seed metabolomics of the two species. LC-MS detected 118 metabolites, primarily Lipids and phenylpropanoids. GC- MS detected a total of 188 metabolites, mainly organic acids and their derivatives, of which Salvia prattii seeds contain high levels of nutrients. In addition, we experimentally determined antioxidant activity of two Salvia species, and the results showed that the antioxidant activity of Salvia prattii seeds was about twice as high as that of Salvia miltiorrhiza seeds. We used WGCNA to group the metabolites, and found the central metabolites in the focal modules including flavonoids and terpenoids. Our study contributes valuable knowledge for future research on the chemical makeup of Salvia prattii seeds.

Asparagus racemosus Linn. is an ethnopharmacologically important plant having extensive uses in Ayurveda, Unani, and Siddha. This study was carried out to evaluate the chemical profile of A. racemosus Linn. using GC-MS and FT-IR analysis, and its polyphenol content and antioxidant effects. Plants were collected from Bhujiyaghat, Nainital (29.3159° N, 79.5245° E) in Kumaun Himalayas. GC-MS with FT-IR analysis identified multiple functional groups, including carboxylic acid derivatives. Methyl 11, 12-octadecadienoate, was screened as the major compounds by GC-MS. A. racemosus contains a high concentration of phenols (80.92 ± 0.57 mg of GAE/g of DW), flavonoids (58.22 ± 1.62 mg of QE/g of DW), and tannins (86.77 ± 0.81 mg of TAE/g of DW). DPPH (24.63 ± 0.21 g/ml) and FRAP (72.49483 ± 0.130549 mg of AAE/g of DW) assays revealed the presence of significant antioxidant activity in A. racemosus .

This study investigated the effect of Urtica dioica roots etheric extract (UDEE) on oxidative stress, and urine obstruction with histopathological examinations of prostatic and renal tissues,and suggests computational methods as a complementary method, to make a hypothesis on the overall effect of UDEE in the treatment of benign prostatic hyperplasia (BPH).Gas chromatography/mass spectrometry was utilised to characterise UDEE.BPH was induced in rats through daily subcutaneous injections of testosterone propionate. Rats were also orally administered UDEE or a vehicle. After four weeks, prostate weight, urine output, and biochemical markers were evaluated. UDEE treatment demonstrated significant regression of prostatic enlargement, improved biochemical and histopathological characteristics, and regulation of antioxidant activity levels. Phytosteroids stand out, act by inhibiting 5α-reductase and aromatase. This study provides an insight into treatment of BPH, demonstrating safety of this compound towards the kidney compared to finasteride without severe side effects.

The industrial value of various plants has been improved through the of plant cell culture systems with elicitation. In this study, the adventitious root of Abeliophyllum distichum (AdAR) was treated with gibberellic acid 3 (GA3) to improve its anticancer property. The hexane fraction of the GA3-treated A. distichum adventitious root exhibited a stronger cytotoxic activity against A549 cells than the hexane fraction of AdAR. Through GC/MS and principal component analysis, we identified ferruginol and sugiol as anticancer compounds, which were induced by GA3 treatment in AdAR. Gene expression analysis combined with functional characterisation suggests that the GA3 treatment increased the transcription of geranylgeranyl pyrophosphate synthases and copalyl diphosphate synthase, which led to the accumulation of diterpenoids, including ferruginol and sugiol. Overall, these findings can contribute to the advancement of metabolic engineering for enhancing the biosynthesis of active diterpenoids, and facilitate the large-scale production of bioactive compounds sourced from A. distichum .

Mexico's Yucatan Peninsula is an endemic area of cutaneous leishmaniasis, locally known as the chiclero's ulcer, and Mayan traditional medicine which refers to the use of Thouinia paucidentata Radlk, known as k'an chuunup. Aqueous and organic leaves extracts were evaluated against promastigotes and amastigotes of Leishmania mexicana. Toxicity tests of extracts were performed using Vero and J774A.1 macrophage cell lines. The composition of the most active extracts was analysed by GC-MS. The n -hexane and ethyl acetate extracts showed potent anti- Leishmania activity against the promastigote form, and remarkably, n -hexane extract exhibited potent activity against the amastigote form. Both extracts showed low toxicity on Vero both not on J774A.1 cells. Analysis of both bioactive extracts identified as more abundant compounds, germacrene D-4-ol and thunbergen in n -hexane, and thunbergol in ethyl acetate extracts. Our study presents T. paucidentata as anti- Leishmania phytomedicine supporting its medicinal use and contributes to the understanding of its phytochemical composition.

Citrus canker, which is caused by Xanthomonas citri , is a severe disease that affects citrus plants worldwide. This paper aimed to compare, for the first time, the chemical composition and anti- Xanthomonas citri activities of essential oils from Schinus molle fresh and dry leaves (EO-FL and EO-DL, respectively). Anti- X. citri activity of spathulenol, the major constituent of oils, was also evaluated. Activities were screened by the broth microdilution method on 96-well culture plates. Three major constituents were identified in EO-FL and EO-DL by GC-MS and GC-FID: spathulenol, β-caryophyllene and caryophyllene oxide. EO-DL (MIC = 31.25 µg/mL), EO-FL (MIC = 62.5 µg/mL) and spathulenol (MIC = 100 µg/mL) were active against X. citri strains (resistant, tolerant and sensitive to copper). Even though results showed that in vitro potential of EO-FL, EO-DL and spathulenol against X. citri , further in vivo studies are needed to prove their applicability to the biocontrol of citrus canker.

The ongoing threat of Middle East respiratory syndrome coronavirus (MERS-CoV) underscores the importance of developing effective antiviral treatments. Current research was conducted to identify potential antiviral compounds from soft corals: Sinularia leptoclados , Sarcophyton ehrenbergi , Nephthea sp., Sarcophyton glaucum and Sarcophyton regulare . The antiviral activities of soft corals extracts were evaluated against MERS-CoV. Gas chromatography-mass spectrometry (GC-MS) was used to identify bioactive compounds. The molecular docking was performed to examine the identified compounds for their binding potentials towards three pathogenic factors of MERS-CoV: main protease, spike and non-structural protein 16/10 complex. The methanolic extract of soft coral Sarcophyton regulare exhibited the most promising activity with 50% inhibitory concentration (IC 50 ) of 4.29 µg/ml and selective index (SI) of 112.2. Among the identified compounds in the active fraction, the molecular docking showed that two fatty acid esters: hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl) ethyl ester and octadecanoic acid, 2-hydroxy-1 (hydroxymethyl) ethyl ester had promising docking scores.

Antimicrobial potential of Citrus medica var. sarcodactylis (Siebold ex Hoola van Nooten) Swingle and Limonia acidissima L. fruits and leaves extracts CMF, CML, LAF and LAL, respectively were evaluated. Gas chromatography-mass spectrometry (GC-MS) analysis for lipoidal matters revealed a high percentage of non-oxygenated compounds. Phytol was the major in LAL. Palmitic and linoleic acid were the major in CML and LAL, respectively. Rutin and P -hydroxy benzoic acid were the main compounds identified by High-performance liquid chromatography (HPLC) analysis. The antibacterial and antifungal activities of the plants extract were determined by the well diffusion method. Antimicrobial investigation for different successive fractions of active methanol extracts of CML, LAL, LAF and CMF showed the highest activity (CML), whereas the petroleum ether (CML PE) and MeOH (CML) fractions exhibit a significant antifungal activity against Candida albicans minimum inhibitory concentration (MIC) 12 and 15 µg/mL, respectively. The antifungal activity prevailed by C. medica leaves may be attributed to its polyphenolics (rutin, chlorogenic and rosmarinic acid) in addition to phenylated hydrocarbon.

Leonotis nepetifolia (L.) R. Br. (Lamiaceae) is a naturalised medicinal plant in Brazil known as 'cordão-de-frade', being used in folk medicine for the treatment of a variety of conditions such as infections and inflammations. L. nepetifolia leaf and flower essential oils were isolated by hydrodistillation, and their compounds were identified by GC-MS analysis. The leaf essential oil major constituents were germacrene D (31.5%), and β-caryophyllene (19.2%), while in flower essential oil the main constituents were β-elemene (31.2%), and germacrene D (12.1%). The essential oils were investigated against a broad spectrum of bacteria and fungi using the microdilution method, exhibiting MIC 50 values of 3.93-250 µg mL -1 . Both oils showed excellent antifungal properties, which is a very important finding since most fungi have shown increased resistance to known antifungal agents. According to these results, the essential oils of L. nepetifolia are promising sources of new antimicrobial agents, especially for yeast.

Four new alkylamides named retroframides A-D ( 1 - 4 ) together with twenty-two known compounds were isolated from the fruits of Piper rectrofractum . The structures of new compounds were elucidated on the basis of spectroscopic data including 2D NMR and chemical derivatization followed by GC-MS analysis. Of isolated compounds, piperine ( 25 ) and pellitorine ( 26 ) revealed moderate inhibition against tyrosinase with percentage inhibition of 36.1 and 40.7.

Salvia dumetorum essential oil (SDEO) was obtained using a Clevenger apparatus by hydrodistillation approach. The chemical composition of the essential oil was determined by GC-MS analysis. In this study SDEO was screened for its antibacterial activity against Staphylococcus aureus , Bacillus subtilis , Escherichia coli, and Candida albicans and the amount of biofilm formed by Streptococcus mutans bacteria. For the first time the chemical composition of SDEO growing in Central Kazakhstan was established. The results obtained from GC-MS showed the predominance of sesquiterpenoids (54.15%). The antibacterial study results showed that SDEO exhibited strong antibacterial activity against B. subtilis and S. aureus in vitro and also demonstrated an inhibitory effect on S. mutans biofilm formation on 1% sucrose medium. During the study, no antibacterial activity was detected against E. coli and C. albicans . These results demonstrated that SDEO can be used in the development of new antibacterial and anti-caries therapeutic dental products.

Medicinal plants contain many bioactive compounds that are often hosted in medicinally active extracts generated from their various parts. The quest for reliable products from medicinal plants escalated in recent years as an answer to emerging health complications and the much-needed sufficient scientific backing that is dependent on proper preparation and characterisation principles of active extracts. This study described the Soxhlet and the maceration methods that are used to process extracts from the inert materials of medicinal plants using appropriate biocompatible solvents, the phytochemical screening assays, and TLC, UV spectrometry, FT-IR, and GC-MS techniques used in phytochemical studies. These techniques are crucial in studies that are meant to explore the active components of medicinal plants and their relative pharmacological effects. This information can be used as a guide when formulating effective yet less toxic plant-derived drugs and provide opportunities to upgrade while reducing further complexity in phytochemical studies.

The objective of the article is to investigate the chemical composition of Zanthoxylum armatum roots methanolic extract and to evaluate the polyphenol content and antioxidant potential. Gas Chromatography-Mass Spectroscopy (GC-MS) and High-Performance Liquid Chromatography - Photo Diode Array (HPLC-PDA) techniques were used to characterize chemical composition of methanolic extract of roots. The GC-MS analysis extract resulted in the isolation of thirty-seven phytochemical constituents in methanol extracts. The root extracts were strongly characterized by 1-Propene, 2-nitro-3-(1-cyclooctenyl), (2E,4E)-N-Isobutyldodeca-2,4-dienamide, (+)- Seasmin and Paulowin. The phenolic composition of the root extract quantified by using HPLC revealed Ascorbic acid as most abundant polyphenol, followed by Gallic acid, Chlorogenic acid, Epigallocatechin gallate, Vanillic acid and p-hydroxybenzoic acid, while Caffeic acid was the recorded as least. In addition, root extract also showed the presence of antioxidant activity (DPPH Free radical scavenging, Metal Chelating and Ferric Reducing Antioxidant Activity) and polyphenol content (Total Phenol, Flavonoid, and Tannin Content).

The essential oil of Blumea eriantha DC. (Asteraceae) herb (leaves and stems) (BEHO) and roots (BERO) was obtained by hydro-distillation and analyzed by GC-FID and GC-MS. The chemical constituents of BEHO and BERO were identified according to their mass spectra and relative retention indices. Fifty-two and thirty-eight compounds were identified, comprising 97.1% and 95.5% of the BEHO and BERO, respectively. The prodigious differences were observed in the major constituents of BEHO and BERO. The major compounds were chrysanthenone (52.8%) and 2,4-dimethylether phloroacetophenone (15.1%) (BEHO), 2,5-dimethoxy- p -cymene (31.3%), epi - α -cadinol (12.7%) and γ -cadinene (10.5%) (BERO). The BEHO found a higher concentration of oxygenated monoterpenes, while BERO with phenyl derivatives type of constituents.

The genus Phagnalon Cass. (Asteraceae) is widely distributed from Macaronesia in the West to the Himalayas in the East, from South France and Nord Italy to Ethiopia and Arabian Peninsula. Species of this genus have been used in folk medicine of many countries as medicinal herbs and they are also used such as food. The extracts and the essential oils (EOs) of these plants have reported antimicrobial, antioxidant, antidiabetic, antitumor, etc. properties and they have different biological applications. Phagnalon sinaicum Bornm. and Kneuck. is a very rare plant native of Middle East. It grows primarily in the desert or dry scrubland biome. Its EO, never previously investigated, was analysed by GC-MS. The EO was very rich in oxygenated monoterpenes, with artemisia ketone (20.40%), α -thujone (19.36%), and santolina alcohol (13.29%) as main constituent. Some considerations with respect to all the other EOs of Phagnalon taxa studied so far were carried out.

Forsythia koreana Nakai is an ornamental plant widely cultivated in East Asia. The essential oil of F. koreana flowers (FEO) was extracted by hydrodistillation process and the volatile components were determined with gas chromatography coupled with mass spectrometry. The anti-inflammatory activity of FEO was investigated by using TPA-induced mouse ear inflammation model. The major components of FEO were identified as n -tetracosane (29.85%), n -heneicosane (17.45%), myristic acid (8.46%) and palmitaldehyde (6.22%). The TPA-induced mouse ear edema, water content, dermis thickness, epidermis thickness and nitric oxide production were decreased by FEO. Our findings suppose that the flower essential oil of F. koreana exerted anti-inflammatory activity, and may be used in the development of anti-inflammatory products in future.

The chemical composition of the essential oils (EOs) from leaves and bark of two morphotypes, white (WM) and black (BM) of Salmea scandens obtained by microwave-assisted extraction (MAE) were analyzed by GC-MS. The major components of the bark EOs were aliphatic hydrocarbons (38.0% in WM, 48.6% in BM) and oxygenated sesquiterpenes (27.6% in WM, 11.3% in BM); in leaves EOs major components were oxygenated sesquiterpenes (43.9% in WM, 45.7% in BM) and oxygenated aliphatics (13.7% in WM, 1.1% in BM) stood out. Nine components have been reported to have antimicrobial and anti-inflammatory potential. The agglomerative hierarchical clustering and principal component analysis confirmed the variability of the EOs. These results suggest that WM may have a better therapeutic effect for treating infectious and inflammatory processes in traditional medicine.

Plectranthus L'Hér is a large genus of Lamiaceae family comprising of ca. 300 species distributed through the tropical and warm regions of the Old-World, including Africa, from Ethiopia to Tanzania, Asia and Australia. Several species are edible, and some ones have been also used as traditional medicinal of several countries. Phytochemical investigations on non-volatile metabolites of species of this genus indicated them of source of diterpenoids with abietane, phyllocladanes, kaurene skeleton. Plectranthus ornatus Codd. is an invasive, ornamental and traditional medicinal plant native of Central-East Africa, which was spread around the world by Portuguese, especially in the Americas. In the present communication, the aerial parts of P. ornatus , identified wild for the first time in Israel, were analysed for the composition of its essential oil, using gas chromatography-mass spectrometry (GC-MS). Considerations with respect to all the other essential oils of P. ornatus accessions were carried out.

Jacobaea is a small genus of plants belonging to Asteraceae family, formerly joint to Senecio genus, that includes more than 60 species and sub-species. Several taxa of this genus have been extensively studied both for their non-volatile and volatile metabolites. In the present study the chemical composition of the essential oil (EO) from aerial parts of Jacobaea delphiniifolia (Vahl) Pelser & Veldkamp, collected in Sicily, was analyzed by GC-MS. No one report has been previously published on the EO of this species. The result showed the presence of a large quantity of two metabolites, namely 1-undecene (63.57%) and thymol methyl ether (13.65%). Chemotaxonomic considerations were carried out by comparing the other oils of Jacobaea taxa studied so far.

The phytochemical investigation on the ethanolic extract of the leaves of Ocimum gratissimum (syn. O. viride ) has led to the isolation of a new alkaloid, diazovirid or 1,1 ' -(diazeno1,2-diyl) bis (ethane-1,2-diol) ( 1 ) and 2-hydroxy-D-glucal or (2  R , 3 S , 4 S )-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol ( 2 ), reported for the first time as a natural product. Their structures were determined by spectroscopic analyses. The volatile constituents have also been studied by GC-FID and GC-MS leading to the characterization of compounds 3-18 , respectively.

Angelica is a large genus of plants belonging to the Apiaceae family that includes about 100 species of biennial or perennial herbs. Several species of this genus are extensively used in various traditional medicines and, despite their content in toxic furanocoumarins, also as food. In this study, the chemical composition of the essential oil (EO) from aerial flowering parts of Angelica sylvestris L., a plant distributed in Europe, North and Central Asia, collected in the Isle of Skey (Scotland), was analyzed by GC and GC-MS. No one report has been previously published on this accession. The result showed the presence of a large quantity of monoterpene hydrocarbons with limonene (51.89%), by far, as the most abundant component. Other metabolites present in lesser quantity were β -pinene (4.61%), α- pinene (3.54%), and thymol (3.33%). Considerations with respect to all the other EOs of A. sylvestris taxa, studied so far, were carried out.

The phytochemical constituents in the aqueous methanolic leaf extract of Triclisia gilletii responsible for its nephroprotective potentials against ethane-1,2-diol induced nephrolithiasis as previously investigated in our laboratory were elucidated. The extract was prepared using 80% aqueous methanol in 72 h, Phytochemical contents of aqueous methanolic extract of Triclisia gilletii (TGME) was identified using both a Thermo Scientific DSQII single quadrupole gas chromatography (GC) and a Thermo Scientific liquid chromatography (LCQ Fleet system) tandem mass spectroscopy. The chromatogram acquisition, detection of mass spectral peaks and their waveform processing were performed using Xcalibur MS Software (Thermo Scientific Inc.). GC-MS analysis revealed the presence of phenols, fatty acids, vitamins and steroids. Likewise, for LC-MS analysis kaempferol and dihydrovomifoliol-O-glucoside were detected. The identified constituents have possible contributively effect on the acclaimed pharmacological potential of Triclisia gilletii against ethane-1,2-diol induced nephrolithiasis. [ABSTRACT FROM AUTHOR]

The extraction of lemongrass essential oil (LGEO) using large quantities of solvents makes this extraction a hazardous and environmentally unfriendly procedure. Our aim was to find a suitable method for the improvement of its extraction and its quality. Solvent-Free Microwave Extraction (SFME) is a combination of dry distillation and microwave heating. SFME of LGEO was compared with conventional extraction hydrodistillation (HD). SFME is quicker than conventional HD. An extraction time of 15 min with SFME provided a yield of 0.6% comparable with that obtained after 120 min using HD. The composition of these oils revealed that the main components obtained with HD and SFME were both geranial (59.93% vs 44.59%, respectively). The quality of lemongrass is determined by its citral content, and a higher amount of citral was present in SFME oil (74%) in comparison with HD oil (60%). SFME is a green and a promising technology for the extraction of essential oils. [ABSTRACT FROM AUTHOR]

The genus Saussurea DC is well known for its rich chemical composition and wide range of biological activities. Although content and biological effects of major chemical components are thoroughly studied, the composition and concentrations of minor constituents, such as essential oils, still remains unclear. In total, 62 different chemical compounds have been identified in the essential oils from S. controversa, S. latifolia, S. parviflora and S. salicifolia using a gas chromatography–mass spectrometry method. The essential oils include 1–5% of linalool, 2–7% of eudesmol and oxygen-containing sesquiterpenoids: 7–25% of caryophyllene oxide, 4–5% of spathulenol, 4–6% of humulene-6.7-oxide. The presence of sesquiterpenoids can be considered as a chemotaxonomic feature of the studied species of Saussurea DC. The essential oils can be candidates for new anti-inflammatory, analgesic and anti-tumor drugs due to relatively high concentration of caryophyllene oxide. [ABSTRACT FROM AUTHOR]

Heracleum is a large genus of plants belonging to Apiaceae family that includes about 90 species of biennial or perennial herbs. Several species of this genus are extensively used in various traditional medicines and, despite their content in toxic furanocoumarins, also as food. In the present study the chemical composition of the essential oil (EO) from flowering aerial parts of Heracleum sphondylium L. subsp . sphondylium , a plant distributed in Europe and North-West Africa, collected in the Isle of Skye (Scotland), was analyzed by GC and GC-MS. No one report has been previously published on any British accession. The result showed the presence of large quantity of sesquiterpene hydrocarbons and aliphatic esters, with bicyclogermacrene (31.6%) and octyl acetate (29.5%), by far, as the most abundant components. Considerations with respect all the other EOs of H. sphondylium taxa, studied so far, were carried out.

The genus Knema Lour. is distributed mainly in Southeast Asian and widely used in folk medicine for treating diseases such as jaundice, chronic fever, and inflammation. The chemical composition, acetylcholinesterase inhibition, and molecular docking studies of essential oil from Knema hookeriana Warb. were investigated in this study. The essential oil was achieved through hydrodistillation and was characterised using gas chromatography (GC-FID) and gas chromatography-mass spectrometry (GC-MS). The acetylcholinesterase inhibitory activity was evaluated using Ellman method while molecular docking studies were carried out using Autodock v.4.3.2. The results revealed that the essential oil examined consisted mainly of β-caryophyllene (26.2%), germacrene D (12.5%), δ-cadinene (9.2%), germacrene B (8.8%) and bicyclogermacrene (5.5%). The essential oil showed acetylcholinesterase activity with IC 50 value of 70.5 µg/mL. The enzyme-ligand molecular docking study showed that β-caryophyllene and δ-cadinene exhibited good binding affinities towards AChE with docking scores -8.1 kcal/mol and -8.3 kcal/mol, respectively.

GC/MS analysis of Murraya koenigii (L.) Spreng. and Murraya paniculata (L.) Jacq. leaves revealed the identification of 73 components, with an evident greater contribution of monoterpenes hydrocarbons to their total volatiles. α-Pinene (37.5%) and β-caryophyllene (27.4%) were the most abundant compounds in M. koenigii leaves and β-phellandrene (40.7%) in M. paniculata leaves, using headspace. β-Phellandrene (33.7%) was the major constituent by M. koenigii leaves where germacrene D (23.8%), and δ-elemene (22.0%) were predominant in M. paniculata leaves, using steam distillation. M. koenigii leaves oil showed quite remarkable cholinesterase inhibitory activity, where oil of M. paniculata leaves showed strong inhibitory activity against AChE (IC 50 =13.2 ± 0.9 µg/mL) and BChE (IC 50 =5.1 ± 0.3 µg/mL). Germacrene D, α-zingiberene, and δ-elemene showed higher affinity to BChE than AChE as revealed from docking scores (S = -5.65 to -6.03 Kcal/mol) for BChE and (S = -5.56 to -6.25 Kcal/mol) for AChE.

The clinical efficacy of many existing antibiotics is currently threatened by the emergence of microbial resistance. This recognized worldwide situation prompts to greater efforts to discover antimicrobial agents of natural origin, including plant sources. The objective of this work was to evaluate the antimicrobial activities of extracts, fractions and pure compounds from Rauhia multiflora using a bioguided complementary fractionation, contributing also to explain some traditional uses of this genus. Some subfractions showed antimicrobial activity against the Gram-negative and Gram-positive bacteria. Galantamine was identified and isolated as the main alkaloid, together with two additional structures of the same skeleton. Characterization by GC-MS revealed the presence of twelve galantamine-type and four crinane-type compounds. The tentative structure of one of the galantamine-type skeletons is proposed here for the first time. Altogether, these results support the use of Rauhia genus to inhibit bacterial growth.

The present study provides the first information on the chemical composition and acetylcholinesterase inhibitory activity of the essential oil (EO) from the leaves of Mitrephora poilanei Weeras. & R.M.K.Saunders from Vietnam. Gas chromatography and gas chromatography-mass spectrometry analysis revealed that the main components of the M. poilanei EO were β-caryophyllene (13.2%), α-humulene (10.5%), germacrene D (8.1%), β-elemene (5.2%) and bicyclogermacrene (5.1%). The anti-acetylcholinesterase assay showed that the EO displayed moderate activity with IC 50 value of 31.16 ± 3.06 μg/mL. These findings proposed that the plant can be exploited for its anti-acetylcholinestrate potential.

Applying elicitors in plants growing under natural conditions change the metabolic content of volatile compounds extracted from their tissues. Here, we have investigated how abiotic elicitors influence the volatile composition of the ethyl acetate extract of Anacardium othonianum seedlings propagated in vitro and ex-vitro cultures. Abiotic factors such as salicylic acid, silver nitrate, light quality, and cultivation mode affected the composition of volatile compounds in ethyl acetate extract of A. othonianum leaves seedlings. GC/MS analysis demonstrated that α-tocopherol was the main metabolite in cultures added with chemical elicitors, reaching 22.48 ± 4.06% in the case of 30 µM salicylic acid. Higher concentrations of salicylic acid decreased the amount of α-tocopherol. The addition of AgNO 3 had a linear effect on α-tocopherol. Thus, the production of this metabolite indicates that salicylic acid and AgNO 3 elicitors positively affect α-tocopherol production at specific concentrations helping to understand how plant culture can be better manipulated.

The genus Tordylium L. (Apiaceae) is distributed in almost all the countries bordering the Mediterranean. They are plants widely used in ethnomedicine in various countries, especially in the Eastern part of Mediterranean, and, furthermore largely used as food. Consequently, in order to evaluate not only the chemical aspects but also the biological properties, the essential oil (EO), obtained from the Sicilian accession of Tordilym apulum L., not previously studied, were investigated. The chemical composition of the essential oil, obtained by classical hydrodistillation and GC-MS analysis, showed the occurrence of large amount of monoterpene hydrocarbons (68.8%) containing huge quantity of β - cis -ocimene (65.0%). The second most abundant metabolite was octyl hexanoate (14.4%), that can be considered a marker of genus Tordylium . ROS levels and the activity of antioxidant enzymes SOD and CAT on normal and OZ-stressed PMNs were measured in order to study the effects of EO of T. apulum .

This study evaluated the chemical composition and anti-proliferative activity of essential oils (EOs) obtained by hydrodistillation from seven medicinal plants from Cachicadán, La Libertad Región, Perú. Limonene (0.64 to 44.43%) and linalool (0.36 to 2.12%) were identified in all EOs by gas chromatography coupled to mass spectrometry analysis. The major components (relative intensity ≥ 10%) were cis -dihydro carvone, carvone, and cis -piperitone epoxide for Minthostachys mollis leaves; β-pinene, limonene, and ledol for Lepechinia heteromorpha leaves; limonene, neral, and geranial for Aloysia citriodora , both leaves and flowers; α-pinene, and limonene for Myrcianthes myrsinoides leaves; and α-pinene, β-myrcene, and ( E )-β-Ocimene for Dalea carthagenensis leaves. Constituted by ( Z )-β-ocimene, dihydrotagetone, ( Z )-tagetone, and car-3-en-2-one, EO of Tagetes minuta leaves induced an irreversible cytostatic effect against MCF-7 human breast tumor cells. Further in vivo studies must be carried out to establish the safe and efficient dose of T. minuta EO as adjuvant treatment in oncological therapies.

This study investigated the chemical composition and the antifungal activity of the essential oil extracted from the Hymenaea stigonocarpa fruit peel (HSFPEO) against Botrytis cinerea , Sclerotinia sclerotiorum , Aspergillus flavus and Colletotrichum truncatum . The HSFPEO obtained through hydrodistillation was analyzed with gas chromatography coupled to mass spectrometry. The antifungal activity was determined by the mean mycelial growth inhibition of the fungus treated with essential oils and growth control. The major constituents of HSFPEO were spathulenol (25.19%) and caryophyllene oxide (13.33%). HSFPEO demonstrated antifungal activity against all fungi tested in all concentrations evaluated in a dose-dependent behavior. The best results were observed against B. cinerea and A. flavus , in which the lowest concentration tested inhibited more than 70% of mycelial growth. Based on the current knowledge, this study describes for the first time the chemical composition and the antifungal activity of HSFPEO against the phytopathogenic fungi B. cinerea and C. truncatum .

Blumea eriantha D.C is a weed from Asteraceae family and is reported to have anticancer activity. The essential oil from the aerial parts was extracted by steam distillation method with the yield of 0.36%. Through GC-MS analysis of the oil, seventeen compounds could be identified by comparing with linear retention indices with the library. Out of the seventeen compounds β-Caryophylline oxide was isolated by column chromatography with gradient elution and the structure was determined through FT-IR, MS, 1 HNMR, 13 C NMR and DEPT. The oil was evaluated for its effect on angiogenesis using Chorioallantoic Membrane Assay (CAM Assay). The concentration dependent antiangiogenic effect was observed with IC 50 value of 19.28 ppm.

Fasciolosis is a worldwide distribution zoonosis that causes great damage in ruminant breeding and has the aquatic mollusc Pseudosuccinea columella as an intermediate host. Synthetic molluscicides are the most used for control; however, they are harmful to fauna and flora. Therefore, this study aimed to evaluate the effect of essential oils from Thymus vulgaris , Origanum vulgare , and terpene carvacrol, on adult molluscs and eggs of P. columella . Analysis of EO volatile components was carried out on a gas chromatograph equipment coupled with mass spectrometry selective detector. The studied components were diluted in concentrations of 10, 20, 40, 60, 80 and 100 ppm, and it was observed that O. vulgare at concentrations of 60, 80 and 100 ppm, carvacrol at the concentrations of 80 and 100 ppm, and T. vulgaris at a concentration of 80 ppm led to 100% mortality of molluscs. All concentrations the substances tested showed 100% ovicidal activity.

New essential oils (EOs) extracted from different parts of two Luvunga species ( L. scandens and L. hongiaoensis ) from Vietnam were investigated for their chemical composition, anti-inflammatory and cytotoxic activity. Sixty-nine total compounds were identified in the EOs by GC/MS. The major constituent of the leaf, fruit, and root EOs from L. scandens was β-caryophyllene (71.5%, 63.0%, and 31.5% respectively). The main compounds in L. hongiaoensis EOs were β-elemene (34.3% in leaf oil) and caryophyllene oxide (21.2% in root oil, 19.4% in stem oil). The EO from L. scandens fruits significantly inhibited nitric oxide production on LPS-induced RAW264.7 cells (IC 50 = 37.95 ± 2.76 µg/mL). The EOs from L. hongiaoensis roots and L. scandens leaves and fruits exhibited cytotoxic activity against MCF-7, SK-LU-1, and HepG2 (IC 50 from 49.74 ± 3.36 to 97.82 ± 8.61 µg/mL). This is the first report on L. hongiaoensis EOs and significantly complements the composition and bioactivity of L. scandens EOs.

Candida albicans is the causative agent of candidiasis in immunocompromised and diseased individuals. The current study was designed to evaluate the antifungal activity of Trachyspermum ammi (L.) Sprague seeds ethanolic extract and hexanes fraction against Candida albicans, both in-vitro and in-vivo. The minimal inhibitory concentration of hexanes fraction was found to be 225 μg/mL, as compared to the standard drug amphotericin B (200 μg/mL). For the treatment of cutaneous candidiasis in BALB/c mice model, the extract and fraction containing ointment was topically applied on flank of mice at various concentrations, and 90–100% recovery in mice was observed which was better than the standard drug, clotrimazole. The GC/MS analysis of hexanes extract indicated the presence of three major components, including (43.91%), O-cymene (25.53%), and γ-terpinene (22.64%). The results showed that T. ammi possess potential antifungal effect, and can be used for the development of novel antifungal agents after further pre-clinical and clinical trials. [ABSTRACT FROM AUTHOR]

Eugenol, a plant bioactive component, is frequently found in a variety of medicinal plants with well-defined functional attributes. Essential oils containing eugenol were extracted from buds of Eugenia caryophyllata commonly named clove using hydrodistillation. Afterwards, the analysis of the essential oils using gas chromatography/mass spectrometry (GC/MS) shows that eugenol is the major constituent with 70.14% of it. The alkene group in eugenol was epoxidised using m -chloroperbenzoic acid leading to the synthesis of epoxide eugenol. The epoxide ring was cleaved to vanillyl glycol by mixed the epoxide eugenol with aluminum chloride hydrate in an ethanolic medium. A Density Functional Theory (DFT) study was investigated to understand the reactivity of the epoxide eugenol with the aluminum chloride hydrate. The results obtained from DFT based reactivity descriptors were in good agreement with the experiment results.

Insects from the Orthoptera order possess important biological activities such as wound healing and represent a therapeutic resource in traditional medicine worldwide. Hence, this study addressed the characterisation of lipophilic extracts from Brachystola magna (Girard), identifying compounds with potential healing properties. For that, four extracts were obtained from sample 1 (head-legs) and sample 2 (abdomen): extract A (hexane/sample 1), extract B (hexane/sample 2), extract C (ethyl acetate/sample 1) and extract D (ethyl acetate/sample 2). All extracts were analysed by Gas Chromatography-Mass Spectrometry (GC-MS), Gas Chromatography-Flame Ionization Detection (GC-FID) and Fourier-Transform Infrared Spectroscopy (FTIR). Compounds identified were squalene, cholesterol and fatty acids, having a higher concentration of linolenic acid in extracts A and B, while extracts C and D had a higher content of palmitic acid. Additionally, FTIR detected characteristic peaks of lipids and triglycerides. Components of the lipophilic extracts suggested that this product could be used for skin illnesses treatment.

The aim of the present paper was to report the chemical constituents and antimicrobial activity of essential hydrodistilled from the leaves and trunk of Aquilaria banaensis P.H.Hô (Thymelaeceae) from Vietnam. The essential oils were analysed comprehensively for their constituents by using Gas chromatography coupled with Mass spectrometry (GC/MS). The antimicrobial activity was determined by agar well diffusion and broth microdilution methods. The leaf essential oil comprised mainly of sesquiterpenes while fatty acids constitutes the bulk of the trunk essential oil. The main constituents of the leaf essential oil were β-caryophyllene (17.11%), α-selinene (10.99%), α-humulene (8.98%), β-selinene (8.01%), β-guaiol (6.69%) and β-elemene (5.65%). However, hexadecanoic acid (48.46%), oleic acid (19.80%) and tetradecanoic acid (5.32%) were the major compounds identified in the trunk essential oil. The trunk essential oil displayed antimicrobial activity against Staphylococcus aureus , with the minimum inhibitory concentration (MIC) value of about 256.0 µg/mL.

This study was designed to examine the essential oils compositions of Litsea glauca Siebold and Litsea fulva Fern.-Vill. growing in Malaysia. The essential oils were achieved by hydrodistillation and fully characterized by gas chromatography (GC-FID) and gas chromatography-mass spectrometry (GC-MS). The study identified 17 and 19 components from the leaf oils from L. glauca (80.7%) and L. fulva (81.5%), respectively. The major components of L. glauca oil were β-selinene (30.8%), β-calacorene (11.3%), tridecanal (7.6%), isophytol (4.8%) and β-eudesmol (4.5%); whereas in L. fulva oil gave β-caryophyllene (27.8%), caryophyllene oxide (12.8%), α-cadinol (6.3%), ( E )-nerolidol (5.7%), β-selinene (5.5%) and tridecanal (5.0%). Anticholinesterase activity was evaluated using Ellman method. The essential oils showed moderate inhibitory activity on acetylcholinesterase and butyrylcholinesterase assays. Our findings demonstrate that the essential oil could be very useful for the characterization, pharmaceutical, and therapeutic applications of the essential oil from the genus Litsea .

Clinopodium candidissimum (Munby) Kuntze (Lamiaceae) is used in traditional medicine and as a food condiment in Algeria, where it is known as Zaater cheleuh and Nabta elbida. Here, we report the comprehensive characterisation of non-volatile polar constituents extracted from C. candidissimum aerial parts (a mixture of inflorescences, stems and leaves), and their aroma profile. Qualitative 1 H-NMR and quali-quantitative HPLC-MS n analyses of fractions obtained with solvents at different polarity revealed the presence of aglyconic and glycosylated flavonoids (3.1%), phenylpropanoids (3.6%), gallic acid derivatives (0.76%), and triterpenoids (0.62%), among the others. On the other hand, HS-SPME-GC-MS allowed to identify 38 volatile constituents, among which the oxygenated monoterpenes pulegone (44.8%), piperitenone (6.6%), isopulegone (5.8%) and neo-menthol (3.8%), and the sesquiterpene hydrocarbons germacrene D (16.2%) and bicyclogermacrene (3.0%) were the most abundant. Overall, results indicate that C. candidissimum represents an endemic natural source of antioxidants and bioactive compounds, and they will be useful for further studies on this species.