Constituents In Different Parts Research Articles

Comparative analysis of phytochemical constituents in different parts of Aspilia africana: A potential medicinal plant for therapeutic applications

BackgroundAmong the diverse array of plants used in traditional medicine, Aspilia africana is highly valued due to its high efficacy against many ailments and its well-noted potential for wound healing. The plant has been widely used to cure illnesses in traditional medicine, which is practiced throughout much of Africa, where an estimated about 80 % of the population gets their main healthcare from this source. PurposeThis study aimed to qualitatively screen the phytochemical constituents of Aspilia africana to confirm its therapeutic properties and generate scientific proof that justifies its usage in traditional medicine. Study designAspilia africana stem, roots, and leaves were screened qualitatively for phytochemical components using pet-ether extracts and distilled water, and qualitative data was generated. MethodExtraction of phytochemicals was done by using the cold maceration method, 150 g of each of the dried parts were taken and packed into 3 separate glass jars containing 500 ml of each solvent (distilled water and pet-ether solvents) and allowed to stand for 24 h. ResultsThis study found 15 phytochemicals which include tannins, phlobatannins, alkaloids, terpenoids, flavonols, glycosides, phenols, steroids, anthraquinones, saponins, phytosterols, proteins and amino acids, coumarins, cardiac glycosides, and flavonoids in A. africana. The occurrence of the therapeutic components in the aqueous extract of roots, leaves, and stem were nine (9), nine (9), and eight (8) respectively, and that of the pet-ether extract were nine (9), eight (8), and seven (7) in roots, leaves, and stem respectively. ConclusionThe presence of these phytochemicals indicates prospective uses in the pharmaceutical and nutraceutical industries, as well as supports the use of Aspilia africana in traditional medicine. To completely understand and make use of the plant's medicinal qualities, further investigations are required on its anti-microbial activities.

Chemical characterization and comparative analysis of different parts of Cocculus orbiculatus through UHPLC-Q-TOF-MS.

Cocculus orbiculatus (L.) DC. (C. orbiculatus) is a medicinal herb valued for its dried roots with anti-inflammatory, analgesic, diuretic, and other therapeutic properties. Despite its traditional applications, chemical investigations into C. orbiculatus remain limited, focusing predominantly on alkaloids and flavonoids. Furthermore, the therapeutic use of C. orbiculatus predominantly focuses on the roots, leaving the stems, a significant portion of the plant, underutilized. This study employed ultra-high performance liquid chromatography quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS/MS) with in-house and online databases for comprehensive identification of components in various plant parts. Subsequently, untargeted metabolomics was employed to analyze differences in components across different harvest periods and plant sections of C. orbiculatus, aiming to screen for distinct components in different parts of the plant. Finally, metabolomic analysis of the roots and stems, which contribute significantly to the plant's weight, was conducted using chemometrics, including principal component analysis (PCA), partial least squares discriminant analysis (PLS-DA), orthogonal partial least squares discriminant analysis (OPLS-DA), and heatmaps. A total of 113 components, including alkaloids, flavonoids, and organic acids, were annotated across the root, stem, leaf, flower, and fruit, along with numerous previously unreported compounds. Metabolomic analyses revealed substantial differences in components between the root and stem compared to the leaf, flower, and fruit during the same harvest period. PLS-DA and OPLS-DA annotated 10 differentiating components (VIP > 1.5, P < 0.05, FC > 2 or FC < 0.67), with 5 unique to the root and stem, exhibiting lower mass spectrometric responses. This study provided the first characterization of 113 chemical constituents in different parts of C. orbiculatus, laying the groundwork for pharmacological research and advocating for the enhanced utilization of its stem.

UPLC-Q-TOF-MSE Based Profiling of the Chemical Composition of Different Parts of Tetrastigma hemsleyanum

Objectives: The differences in chemical constituents in different parts of Tetrastigma hemsleyanum were analyzed. Methods: The contents of total phenols, total flavonoids, and polysaccharides in methanol extracts from different parts of T. hemsleyanum in Zhejiang were determined, and the chemical components of different parts of T. hemsleyanum were collected by ultra-performance liquid chromatography-tandem quadrupole-time-of-flight mass spectrometry. The differential index components of different parts of T. hemsleyanum were identified and analyzed by accurate mass-to-charge ratio of primary mass spectrometry and fragment ion of secondary mass spectrometry with reference spectrum and software database search and related literature reports. Results: A total of 20 components were identified, including 13 identified in root tubers, 7 in fibrous roots and 8 in leaves, and the structural cleavage of its compounds was analyzed. Conclusion: It provides a possibility and theoretical basis for the future use of the whole plant of T. hemsleyanum as medicine.

Analysis of constituents in different parts of Forsythia suspensa by UPLC-Q-TOF-MS and evaluation of their anti-inflammatory activity

This study aims to characterize and identify the chemical constituents in 11 parts of Forsythia suspensa by using ultra-performance liquid chromatography-quadrupole time of flight-mass spectrometry(UPLC-Q-TOF-MS) combined with a self-established chemical constituent database, including leaves, flowers, fruits, green F. suspensa, old F. suspensa, and seeds. The quality attributes and differences of different parts of F. suspensa were evaluated by principal component analysis, partial least square discriminant analysis, and other stoichiometric methods. A total of 79 compounds were identified, including 13 phenylethanol glycosides, 10 lignans, 12 flavonoids, 10 organic acids, 14 terpenoids, and 20 other types of compounds. Among them, 34 compounds were the main variables of difference between the different parts of F. suspensa, and the content of each component was relatively higher in the leaves and green F. suspensa. The LPS-induced inflammation model of RAW264.7 cells was applied to study the anti-inflammatory activity of the extracts of the different parts of F. suspensa and the main constituents. The results show that the extracts of green F. suspensa, flower, twig, and stem exhibited anti-inflammatory activity, and the constituents such as forsythoside A, phyllyrin, phillygenin, and(+)-pinoresinol-β-D-glucopyranoside could significantly inhibit anti-inflammatory activity released by NO. The chemical constituent in different parts of F. suspensa is analyzed comprehensively, and the anti-inflammatory activity is evaluated in this study, which provides a reference for the development and comprehensive utilization of F. suspensa resources.

Chemical composition and antioxidant activity of different parts of Prunella vulgaris by UPLC-Q-TOF-MS/MS and UPLC

Prunellae Spica is the dried spica of Prunella vulgaris belonging to Labiatae and it is widely used in pharmaceutical and general health fields. As a traditional Chinese medicine cultivated on a large scale, it produces a large amount of non-medicinal parts, which are discarded because they are not effectively used. To analyze the chemical constituents in the different samples from spica, seed, stem, and leaf of P. vulgaris, and explore the application value and development prospect of these parts, this study used ultrahigh performance liquid chromatography-tandem quadrupoles time of flight mass spectrometry(UPLC-Q-TOF-MS/MS) to detect chemical constituents in different parts of P. vulgaris. As a result, 117 compounds were detected. Among them, 87 compounds were identified, including 32 phenolic acids, 8 flavonoids, and 45 triterpenoid saponins. Some new triterpenoid saponins containing the sugar chain with 4-6 sugar units were found. Further, multivariate statistical analysis was conducted on BPI chromatographic peaks of multiple batches of different parts, and the results showed that spica had the most abundant chemical constituents, including salviaflaside and linolenic acid highly contained in the seed and phenolic acids, flavonoids, and triterpenoid saponins in the stem and leaf. In general, the constituents in the spica were composed of those in the seed, stem, and leaf. UPLC was used to determine the content of 6 phenolic acids(danshensu, protocatechuic acid, protocatechuic aldehyde, caffeic acid, salviaflaside, and rosmarinic acid) in different parts. The content of other phenolic acids in the seed was generally lower than that in the spica except that of salviaflaside. The content of salviaflaside in the spica was higher than that in the stem and leaf, but the content of other phenolic acids in the spica was not significantly different from that in the stem. The content of protocatechuic aldehyde and caffeic acid in the spica was lower than that in the leaf. DPPH free radical scavenging method was used to detect the antioxidant activity of four parts, and there was no significant difference in the antioxidant activity between the spica and the stem and leaf, but that was significantly higher than the seed. Moreover, the antioxidant activity of these parts was correlated with the content of total phenolic acids. Based on the above findings, the stem and leaf of P. vulgaris have potential application value. Considering the traditional medication rule, it is feasible to use the whole plant as a medicine. Alternatively, salviaflaside, occurring in the seed, can be used as a marker compound for the quality evaluation of Prunellae Spica, if only using spica as the medicinal part of P. vulgaris, as described in the Chinese Pharmacopoeia(2020 edition).

Screening of anti‐thrombin active components from Ligusticum chuanxiong by affinity‐ultrafiltration coupled with HPLC‐Q‐Orbitrap‐MSn

Ligusticum chuanxiong ('chuanxiong') is a traditional Chinese medicine for promoting blood circulation and removing blood stasis, which is often used to treat thrombotic diseases. However, its potential anticoagulant active ingredients have been unexplored. The study aims to establish an affinity ultrafiltration mass spectrometry (AUF-MS) method for rapid screening of anti-thrombin active components of chuanxiong and to verify it in vitro. In this study, the chemical constituents of different parts of chuanxiong were determined. A method for rapid screening of anticoagulant active ingredients by AUF-MS was established using thrombin as an affinity receptor target. Subsequently, the anticoagulant effect of such ligands was verified by in vitro anticoagulation experiments such as chromogenic substrate method and in vitro coagulation assay. Then the possible interaction mechanism between these ligands and thrombin was further studied by molecular docking. Twenty-one components were detected from different parts of chuanxiong. And three potential anti-thrombin active components were screened: ferulic acid, chlorogenic acid, isochlorogenic acid A by AUF coupled with high-performance liquid chromatography-quadrupole-Orbitrap mass spectrometry (HPLC-Q-Orbitrap-MSn ). The in vitro activity experiments and molecular docking revealed that these potential ligands exhibited strong binding ability and inhibitory activities on thrombin. The present study revealed that chuanxiong is a traditional Chinese medicine with excellent anticoagulation effects. Meanwhile, the integrated strategy based on AUF-MS, in vitro experiments and molecular docking also provided a powerful tool for further exploration of active ingredients responsible for the anticoagulant activity in chuanxiong.

Chemical constituents in different parts of Ixeris sonchifolia based on UPLC-LTQ-Orbitrap-MS~n

The chemical constituents in stem leaf, root, and flower of Ixeris sonchifolia were identified by the ultra performance li-quid chromatography coupled with linear ion trap quadrupole-orbitrap mass spectrometry(UPLC-LTQ-Orbitrap-MS~n). The separation was performed on an Acquity UPLC BEH C_(18) column(2.1 mm×100 mm, 1.7 μm) with a mobile phase of water(containing 0.1% formic acid, A)-acetonitrile(B) with gradient elution. With electrospray ionization source, the data of 70% methanol extract from stem leaf, root and flower of I. sonchifolia were collected by high-resolution full-scan Fourier transform spectroscopy, data dependent acquisition, precursor ion scan, and selected ion monitoring in the negative and positive ion modes. The compounds were identified based on accurate molecular weight, retention time, fragment ions, comparison with reference standard, Clog P and references. A total of 131 compounds were identified from the 70% methanol extract of I. sonchifolia, including nucleosides, flavonoids, organic acids, terpenoids, and phenylpropanoids, and 119, 110, and 126 compounds were identified from the stem leaf, root and flower of I. sonchifolia, respectively. In addition, isorhamnetin, isorhamnetin-7-O-sambubioside and caffeylshikimic acid were discovered from I. sonchifolia for the first time. This study comprehensively analyzed and compared the chemical constituents in different parts of I. sonchifolia, which facilitated the discovery of effective substances and the development and application of medicinal material resources of I. sonchifolia.

Investigation of Solvent Efficiency in Extraction of Bioactive Constituents from Peels, Leaves and Tubers of Sweet Potato

The effectiveness of solvents in extracting phytochemicals from leaves, peels and tubers of sweet potato was studied with a view of knowing the best solvent for extraction as well as establishing the availability of bioactive constituents in different parts of sweet potato. The peels, leaves and tubers of sweet potato were obtained, cut, air-dried, ground, sieved with 40 mm mesh and separately extracted using six different solvents (acetone, ethyl acetate, methanol, ethanol, water and chloroform) at ratio 1:10 for 72 h. The extracts obtained using six different solvents on peels, leaves and tubers of sweet potato were screened for phytochemicals. It was observed that all the three parts of sweet potato considered were rich in phytochemicals, although the peels and tubers contained relatively higher bioactive constituents than that available in the leaves. The extraction efficiency of the solvents in obtaining bioactive constituents from leaves, peels and tubers of sweet potato is highest in ethanol, followed by methanol, acetone and ethyl acetate while the least were in chloroform and water.

Effect of Mature Stages on Phenolic Contents, Antioxidant Activities and Mineral Distribution in Different Parts of Kei Apple Fruit

This study aimed to evaluate the concentrations of the heavy metals, macro and micro-elements as well as the distribution of phenolic constituents in different parts of half-ripe and full-ripe kei apple fruits. For mineral analysis, fruit samples were digested and analyzed using inductively coupled plasma optical emission spectrometry (ICPOES). The colorimetric determination of total polyphenolic contents (TPs) and the antioxidant capacity using DPPH and total antioxidant capacity (TAC) assays were done using aqueous alcoholic extracts. Also, the phenolic profiles were identified and quantified using high performance liquid chromatography (HPLC). The results showed that the highest antioxidant activity using DPPH and TAC and total phenolic content were detected in the pulp of full-mature fruits and its values were 2.03 mg GAE/g d.w, 22.61 mg AAE/g d.w and 26.24 mg GAE/g d.w, respectively. Average of mineral concentrations in dried samples (in μg/g), were ranged between: 6,164.99 to 18,339.61 (K); 2,538.06 to 3,488.92 (Ca); 749.26 to 2,110.12 (Mg); 82.13 to 733.36 (Fe); 22.74 to 58.02 (Zn); 6.43 to 11.85 (Mn); 10.17 to 20.02 (Cu); 1.86 to 8.73 (Ni) and much lower concentrations of Co, Pb and Cd. The key phenolic constituents of the fruit harvested in different times were 4-hydroxy benzoic acid, chlorogenic acid and catechol. Overall, harvesting of kei apple fruit in the first week of June indicates the full maturity of the fruit with characteristic higher phenolics, antioxidant capacity without any deterioration in most of elemental minerals.

Analysis of 12 Chemical Compounds And Pattern Recognition of Different Parts of Angelicae Sinensis Radix by Liquid Chromatography-Tandem Mass Spectrometry And Chemometrics Methods.

To evaluate the quality and quantify bioactive constituents in different parts of Angelicae Sinensis Radix, an efficient, high-speed, high-sensitivity high-performance liquid chromatography and triple quadrupole mass spectrometry method was used for simultaneous detection of 12 chemical compounds including L-tryptophan, chlorogenic acid, caffeic acid, ferulic acid, isoferulic acid, senkyunolide I, guanosine, proline, L-glutamine, γ-aminobutyric acid, glutamic acid, and arginine in 52 batches of Angelicae Sinensis Radix from Gansu, China. The established methods were validated by good linearity (R2≥0.9921), limits of detection (0.0001-0.0156 μg/mL), limits of quantitation (0.0006-0.0781 μg/mL), stability (RSD≤7.77%), repeatability (RSD≤6.79%), intra- and interday precisions (RSD≤6.00% and RSD≤6.39%, respectively) and recovery (90.90-107.16%). According to the quantitative results, the contents of the hydrophilic compounds were higher in the head, while the medium and weak polar components were mainly concentrated in the tail. Finally, principal component analysis results revealed that Angelicae Sinensis Radix could be divided into different medicinal sites based on polar components such as amino acids, nucleosides. The combination of liquid chromatography-tandem mass spectrometry and principal component analysis is a simple and reliable method for pattern recognition and quality evaluation of Angelicae Sinensis Radix.

Quality evaluation of Tetrastigma hemsleyanum different parts based on quantitative analysis of 42 bioactive constituents combined with multivariate statistical analysis.

The root of Tetrastigma hemsleyanum (RTH) has been widely used as a folk medicine in China. Meanwhile, its stems (STH) and leaves (LTH) are consumed as functional tea and food supplementation. Therefore, it is important to get a better understanding of the distribution of bioactive constituents in different parts of T. hemsleyanum. To develop a method for quantitative analysis of multiple bioactive constituents and comparing their distribution in RTH, STH and LTH. Ultra-performance liquid chromatography triple quadrupole ion trap tandem mass spectrometry (UPLC-QTRAP-MS/MS) was used for the quantitative analysis. The quantitative data were further analysed by principal component analysis (PCA), hierarchical cluster analysis (HCA) and partial least squares determinant analysis (PLS-DA). Forty-two constituents in RTH, STH and LTH, including 14 flavonoids, three phenolic acids, 15 amino acids and 10 nucleosides, were quantitatively determined. The contents of flavonoids and phenolic acids in LTH were significantly higher than those in RTH and STH. While the contents of amino acids and nucleosides in LTH were less than those in RTH and STH. Multivariate statistical analysis can significantly classify and distinguish RTH, STH, and LTH. The present method would be helpful for the quality control of T. hemsleyanum, and the results would be useful for the efficient utilisation of T. hemsleyanum in the future.

Review of studies published on the medicinal importance of different parts of Citrullus lanatus in the last ten years

Watermelon (Citrullus lanatus), (CL) is an edible fruit of Cucurbitaceae family. It is cultivated worldwide for it is nutritive and medicinal values. The records of online scientific publications on CL were accessed using Google, Google Scholar, PubMed, science.gov, Scopus, and Worldwide science as search engines, were collected from January 2010 to April 2021 and analyzed using descriptive statis tics. Emphasis was placed on phytochemical, proximate, antioxidant, and pharmacological published articles on different parts of CL during this period. A total of 121 published articles that focused on different parts of CL in the last ten years were retrieved with phytochemicals 17.4% (21), proximate 7.4% (9), antioxidants 6.6% (8), pharmacology 68.6% (83). The pharmacology field was subdivided into antimicrobial 14.9% (18), cardioprotective 10.2% (13), reproduction 9.2% (12), toxicology and hepatoprotective 6.6% (8) each, analgesic, and anti-inflammatory 5.8%, neuroprotective 3.3% (4), anthelmintics (0.8%). Considering publications on different parts of CL, the seed received the highest attention with 42.1% (51) followed by fruits 35.5% (43), rind 18.1% (22), leaf 2.5% (3) while the least was whole fruit 1.7% (2). It was observed in this review on published articles that the CL fruits received the highest level of attention considering the phytochemicals, proximate, and antioxidant components to exhibit good antimicrobial potentials. While the CL leaf receivedlittle attention on antimicrobial ability. Also, different parts exhibited cardioprotective, reproduction, toxicology, hepatoprotective, neuroprotective, analgesic, and anti-inflammatory activities, anti-ulcerative efficacy due to phytochemicals, antioxidant, and proximate constituents in different parts of CL. It is worth noting that neuroprotective, hepatoprotective, antidiabetic, and anthelmintics effects of different parts of CL received little attention. While there is still dearth of information on use of different parts of CL on cancer investigations and use. This scientific review on different parts of CL had highlighted knowledge gap that still exists on different parts of CL.

Quantitative Determination of p-Cymene, Thymol, Neryl Acetate, and β-Caryophyllene in Different Growth Periods and Parts of Eupatorium fortunei Turcz. by GC-MS/MS.

Eupatorium fortunei Turcz. is a widely used Chinese herbal medicine in China. In this study, a gas chromatography-triple quadrupole mass spectrometry (GC-MS/MS) method was developed and validated to simultaneously determine the contents of p-cymene, thymol, neryl acetate, and β-caryophyllene in roots, stems, and leaves of Eupatorium fortunei Turcz. harvested at different growth periods. All four constituents could be detected in leaves, three could be detected in stems except β-caryophyllene, and only thymol could be detected in roots. The order of the total contents of four constituents in different parts was leaves > stems > roots. It indicated that the leaves could be the proper medicinal parts of Eupatorium fortunei Turcz. The content of four constituents in leaves varied a lot among different growth periods and showed an M-shaped change trend with the growth of Eupatorium fortunei Turcz. The four constituents accumulated to the highest values in early July followed by mid-September. Accordingly, the best harvest time of Eupatorium fortunei Turcz. is early July and mid-September.

Protective role of Pandanus tectorius Parkinson ex Du Roi in diabetes, hyperlipidemia, liver and kidney dysfunction in alloxan diabetic rats

BackgroundDiabetes mellitus (DM), an endocrine disease is characterized by increased level of blood glucose. Diabetes may affect other functions of the body and organs including, renal function and lipid metabolism. Pandanus tectorius (P. tectorius) Parkinson ex Du Roi is a small tree used in folk medicine in treatment of many diseases.MethodsDiabetes in rats was induced by intraperitoneal injection of alloxan at a dose of 100 mg/kg body weight for 3 days. Water and ethanol extracts of root, stem and leave of P. tectorius were given to rats at 200 mg/kg body weight at day 3. Rats were sacrificed on day 4 after 12 h fasting. Serum glucose and other biochemical parameters like liver enzymes; [alanine aminotransferases (ALT), aspartate aminotransferases (AST), alkaline phosphatase (ALP) and lactate dehydrogenase (LDH)], kidney parameters (urea & creatinine), lipid profile [total cholesterol, HDL and LDL cholesterol and triglycerides] and coronary artery risk index (CRI) were estimated in blood serum. Antioxidant potential, polyphenol content and phytochemical constituents in different parts of P. tectorius were also determined.ResultsResults showed that water extract of stem and ethanol extract of root of P. tectorius produced maximum fall in sugar level of alloxan diabetic rats. Extracts of all three plant parts significantly dropped the increased level of urea and creatinine with maximum reduction in creatinine was observed by water extract of root. P.tectorius extracts showed positive effect on liver enzymes and lipid profile by bringing them closer to normal range in comparison to alloxan diabetic control rats. Phytochemical screening indicated presence of flavonoids, alkaloids, tannins and saponin in P. tectorius. In DPPH free radical scavenging test the highest antioxidant potential was found in water extract of roots, while ethanol extract of stem also showed good activity.ConclusionThe study demonstrated that different parts of P.tectorius have potential to attenuate diabetes and diabetes related complications like, liver, kidney dysfunction and lipid metabolism.

English

Macrophomina phaseolina (Tassi) Goid. is a soil-borne fungal pathogen causing diseases in more than 500 plant species. The present study aimed to identify possible antifungal constituents in different parts of billygoat-weed (Ageratum conyzoides L.) through bioassays guided fractionation for the control of M. phaseolina. Extracts of different parts of the weed were made in methanol and antifungal bioassays were conducted using 1, 2, 3, 4 and 5% concentrations of the extract. Stem extract caused the highest inhibition in fungal biomass (20–83%) followed by leaf extract (16–67%). Methanolic stem extract was partitioned using four organic solvents namely n-hexane, chloroform, ethyl acetate and n-butanol. Bioassays carried out with different concentrations (3.125, 6.25, 12.5, 25, 50, 100 and 200 mg mL-1) of the sub-fractions of stem extract revealed the highest antifungal potential of chloroform sub-fraction with 56–93% reduction in the fungal biomass followed by n-butanol, ethyl acetate and n-hexane sub-fractions causing 24–76%, 7–75% and 5–70% reduction in fungal biomass over control, respectively. Chloroform sub-fraction with the highest antifungal potential was analyzed by GC-MS. Out of 10 compounds identified in this sub-fraction, 2H-1-benzopyran, 7-dimethoxy-2,2-dimethyl- (27.58%) was the most abundant followed by hexadecanoic acid, methyl ester (18.85%); 11-octadecenoic acid, methyl ester (15.28%) and 1,2-benzenedicarboxylic acid, mono(2-ethylhexyl) ester (10.88%), which could be responsible for antifungal activity. © 2021 Friends Science Publishers

Pharmacological Properties and Screening of Antibacterial Activities of Bael (Aegle marmelos L.)

Bael (Aegle marmelos) used as a medicinal plant in the Ayurveda to treat various gastrointestinal diseases in infants and adults. In India, it is locally known as 'Bael'. Various phytochemical constituents of different parts of bael are responsible for hepatoprotective activity, antioxidant activity, antidiabetic activity, analgesic activity and antibacterial activity. Antibacterial screening of medicinal constituents extracted from plant parts with different solvents had vast therapeutic potential which can provide lesser side effects than with synthetic antibiotics. Among the all parts, the fruits were showing premier results against bacterial strains. Phytochemical screening of aqueous, metholic, and chloroform extract of different parts of Aegle marmelos against bacterial strains. The maximum inhibition zones against bacterial strains are dose dependent and extract solvents. The antibacterial activity varied in different parts of bael tree due to the presence of bioactive constituents such as tannins, saponins, terpenoids, alkaloids, skimminine, aegelin, lupeol, cineole, citral, citronellal, cuminaldehyde, eugenol, marmesin, marmelosin, and polyphenols.

Chemical constituents in different parts of seven species of Aconitum based on UHPLC-Q-TOF/MS

Aconitum L., the main source of Aconitum medicinal materials, is rich in diterpenoid alkaloids. Several drugs derived from diterpenoid alkaloids are widely used to the current clinical treatment of pain, inflammation, and other symptoms. This paper aims to clarify the main metabolites and distribution of diterpenoid alkaloids in different parts of Aconitum plants. To that end, 7 species of Aconitum from three subgenera were analyzed by UHPLC-Q-TOF-MS under identical conditions. The fragmentation regularity of various types of diterpene alkaloids were determined and a total of 126 metabolites were identified by comparing the reference material and secondary mass spectrometry, with the literature. 67, 49, 17, 41, 14, 17 and 21 metabolites were identified from Aconitum carmichaeli, Aconitum stylosum, Aconitum sinomontanum, Aconitum vilmorinianum, Aconitum pendulum, Aconitum tanguticum and Aconitum gymnandrum, respectively. Meanwhile, the structure type of A. carmichaeli, A. stylosum, A. vilmorinianum, A. pendulum, A. gymnandrum were identified as C19 type, A. sinomontanum was C18 type, while A. tanguticum was C20 type. A high similarity of metabolites was found between A. stylosum and A. vilmorinianum. The quantitative analysis of 19 compounds and the relative peak area of all metabolites which obtained through internal standard berberine, highlighted compounds like karakoline, talatisamine and atisine as references for future study of metabolic pathways. Furthermore, results from metabolites distribution and relative peak area analysis suggest that the leaf of A. carmichaeli, the leaf and stem of A. stylosum and A. vilmorinianum, and the flower of A. pendulum have potential as medicinal resources and are worth further development. These results establish a foundation for the comprehensive utilization of Aconitum resources.

Combination of high‐resolution accurate mass spectrometry and network pharmacology provides a new method for the chemical constituents’ study and target prediction in vivo of Garcinia multiflora

Garcinia multiflora is a kind of evergreen tree which is widely distributed in the south of China. However, few researches focused on the constituents in different parts of G. multiflora as well as their potential targets and pathways in vivo. To clarify the chemical constituents of G. multiflora rapidly and predict the potential targets as well as pathways in vivo that this plant may have effects on, a feasible and accurate strategy was developed to identify the chemical constituents in fruits, leaves, and branches of G. multiflora by ultra-high performance liquid chromatography with Q-Exactive hybrid quadrupole-orbitrap high-resolution accurate mass spectrometry. Network pharmacology was then employed and a "compounds-targets-diseases" network was established. Sixty-one compounds including polycyclic polyprenylated acylphloroglucinols, xanthones, and flavonoids were finally identified in different parts of G. multiflora, and the contents of seven constituents were quantified, respectively. On the basis of the network pharmacology analysis results, compounds in this plant were speculated to have potential pharmacodynamic effect on cancer, inflammatory, respiratory diseases, cardiovascular diseases, and metabolic diseases. This research will provide a new method for the advanced study on the pharmacodynamic materials basis of G. multiflora, and offer valuable evidences for medicinal purpose of this plant.

Analysis of Volatile Chemical Constituents in Different Parts of Artemisia rupestris L. by GC-MS/Q-TOF

The amounts and differences of volatile compositions in different parts of Artemisia rupestris L. were determined by headspace sampling and gas chromatography-mass spectrometry. In the volatiles of the whole plant, 104 components were identified. cis-Sabinene hydrate (8.8%), β-selinene (4.2%), valencen (3.9%) and (+)-camphene (3.8%) were the major components of the volatiles. In the volatiles of the flower, 87 components were identified. cis-Sabinene hydrate (8.9%), valencen (5.6%), β-cis-caryophyllene (5.4%) and β-selinene (5.4%) were the major components of flower volatiles. In the leaf, 103 components were indentified. Longifolene (6.0%), tricyclene (5.1%), cis-sabinene hydrate (4.8%) and (+)-camphene (4.1%) were the major components of the volatiles. In the volatiles of the aerial stem, 93 components were identified. γ-Gurjunene (6.0%), longifolene-(v4) (5.6%), α-terpinyl acetate (5.5%) and 7-epi-Silphiperfol-5-ene (4.6%) were the major components of the volatiles. In the root, 71 components were indentified. α-Terpinyl acetate (9.9%), longifolene (7.0%), cis-sabinene hydrate (5.5%) and linalyl acetate (4.9%) were the major components of the volatiles.

Screening of psychoactive components in fresh khat using direct analysis in real time-time of flight-mass spectrometry

Background: Khat (Catha edulis Forsk) is a shrub endemic to East Africa and the Arabian Peninsula that is widely consumed for its psychoactive properties. Due to the increase of illicit drugs consumption in the world, there is a need for fast investigation techniques in order to rapidly characterize the huge number of seized samples. In the recent years, direct analysis in real-time mass spectrometry (DART-MS) proved to be a useful and convenient method which allows recording mass spectra of various samples without any preparation. Objectives: The present work describes a convenient procedure for rapid characterization of fresh Khat samples by identification of cathinone and cathine which are the most active constituents in different parts of the plant. Materials and Methods: A fresh sample of C. edulis was cut into small pieces with separation of leaves and stems; each part was investigated using DART-time-of-flight (ToF)-MS. The fresh samples were submitted to a stream of hot helium as vaporization and ionization gas, without any extraction or prior treatment. Results: The obtained spectra showed many peaks corresponding to the mass range from 100 to 600 Da. Cathinone and cathine which are known to be the main psychoactive components in C. edulis were found in all parts of the fresh samples; their protonated peaks appeared at 150 and 152 Da, respectively. The peak intensity of these two characteristic alkaloids was notably different between leaves and stems; it roughly decreased from lower to upper leaves, while their highest content was obtained in the upper stem. Conclusion: The present work showed that DART-ToF-MS is a powerful tool for fast investigation of real samples, particularly in the field of forensic sciences.