Possible mass spectrometry fragmentation pathway of hesperidin in negative ion mode.

Possible mass spectrometry fragmentation pathway of hesperidin in negative ion mode.

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Blumea balsamifera (L.) DC., a perennial herb in the Asteraceae family native to China and Southeast Asia, has a notable history of medicinal use due to its pharmacological properties. Using UPLC–Q–Orbitrap HRMS techniques, we systematically investigated the chemical constituents of this plant. A total of 31 constituents were identified, of which 1...

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... comparison with the corresponding literature references [50,51], and based on mass spectral data analysis, this compound is hypothesized to be hesperidin. The possible mass spectral cleavage pathways are illustrated in Figure 2. fragment ions of hexose flavonoid glycosides. ...
Context 2
... comparison with the corresponding literature references [50,51], and based on mass spectral data analysis, this compound is hypothesized to be hesperidin. The possible mass spectral cleavage pathways are illustrated in Figure 2. Figure 2. Possible mass spectrometry fragmentation pathway of hesperidin in negative ion mode. ...
Context 3
... comparison with the corresponding literature references [50,51], and based on mass spectral data analysis, this compound is hypothesized to be hesperidin. The possible mass spectral cleavage pathways are illustrated in Figure 2. Figure 2. Possible mass spectrometry fragmentation pathway of hesperidin in negative ion mode. ...

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... In the secondary mass spectrum, m/z 403 generated the fragment ion of m/z 385 by removing one molecule of water, and then the side chain of C 10 H 11 NO was removed to obtain the fragment ion of m/z 224; m/z 403 generated the fragment ions of m/z 252 and m/z 152 by amide bond breaking, and the fragment ions of m/z 134 and m/z 105 were generated by further removing one molecule of water and C 9 H 9 NO, respectively. [21,22] The specific cleavage pathway of Aurantiamide is shown in Fig. 3. ...
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Seaweed (Sargassum pallidum (turn.) C.Ag.) and kelp (Laminaria japonica Aresch.) are two common marine plants, typical Chinese herbs with the same use as medicine and food. They are widely distributed in China and exhibit biological properties such as antioxidant, hypolipidemic, antitumor and hypoglycemic effects. This study developed an ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS) method coupled with chemometric techniques to identify the chemical components in seaweed and kelp from different origins and examine the similarities and differences between the two herbs. A total of 48 constituents were identified, including fatty acids, alkaloids, terpenoids, amino acids, sterols, etc. For two compounds, Aurantiamide and Linoleic acid, the identification and fragmentation patterns were analyzed. Seaweed and kelp demonstrated a clear distinction. Principal component analysis, orthogonal partial least squares discriminant analysis, and cluster heatmap analysis were performed on seaweed and kelp. The seaweed samples were found to have high similarity and aggregation among different origins, while the kelp samples showed greater dispersion. Heatmap analysis further revealed the similarities and differences between seaweeds and kelp from different origins. This study provides a reliable foundation for the clinical application of the two herbs.
... Besides, B. lacera, known in indigenous medicine for its febrifuge, antipyretic, and diuretic properties, is also used to cure bronchitis, blood diseases, and alleviate burning sensation 6 . Previous reports have demonstrated that various secondary metabolites have been identified in the genus Blumea, including terpenoids, flavonoids, phenolics, and essential oils [7][8][9][10][11][12] . Moreover, their isolated compounds and essential oils have Agilent GC-MSD system, as reported in previous studies 13, 15 . ...
... Moreover, the main active compound may have contributed to this activity of the essential oil. Previous reports 1-4) 0.86 Oxygenated monoterpenes (No. 5, 7, 8, 10, 14, 16, 20-22, 27, 29) 46.05 Sesquiterpene hydrocarbons (No. 11-13, 15, 17-19, 23, 25, 28) 37.37 Oxygenated sesquiterpenes (No. 24,26,[30][31][32][33][34][35][36][37][38][39][40] 11.69 Others (No. 6,9) 0.26 Data are shown as mean ± standard deviation (n = 3); Conc.: concentration; IC 50 : half-maximal inhibitory concentration; MCF-7: human breast carcinoma; SK-LU-1: human lung carcinoma; HepG2: human hepatocellular carcinoma have indicated that β-caryophyllene from the essential oil of Aquilaria crassna has a selective anti-proliferative effect against colorectal cancer cells 34 . This compound also affects the growth and proliferation of various other cancer cells 35 . ...
... Theo công bố của Masyudi và cộng sự năm 2022 thành phần chính được ghi nhận có trong chiết xuất lá loài B. balsamifera ở Indonesia với dung môi ethanol và ethyl acetate chứa saponin, flavonoid, phenolic, tannin và steroid [15]. Năm 2023, Dai và cộng sự đã xác định các thành phần hóa học trong dịch chiết của loài B. balsamifera ghi nhận sự có mặt của các hợp chất flavonoid, quinone, alkaloid và acid hữu cơ [32]. Kết quả định tính thành phần hóa học trong loài B. densiflora var. ...
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The study aimed to evaluate the efficiency of high extraction from the leaves of Blumea densiflora var. hookeri, distributed in Lam Dong by using ethanol solvent. It also investigated the chemical composition and antioxidant activity of the ethanol extract obtained from this species. The results show that the efficiency of ethanol extraction by the soxhlet extraction method of B. densiflora var. hookeri was 9.62%. The chemical composition of the ethanol extract was characterized according to the method of Nguyen Van Dan and Nguyen Viet Tuu (1985), combined with the method of Nguyen Kim Phi Phung (2007), revealing 7 groups of compounds, including alkaloids, terpenoid-steroids, flavonoids, glycosides, cardiac glycosides, tannins, and coumarin. The total polyphenol content recorded from the leaf extract was 5.87 (mgGAE/g dry weight). Through investigation of antioxidant activity using the DPPH free radical neutralization method, it was shown that the ethanol extract of B. densiflora var. hookeri exhibits antioxidant activity with an IC50 value of 4532.28 (μg/ml). The findings of this research not only add to our understanding of the biochemical aspects of this plant species but also foster its exploitation, application, conservation, and development in human life. THÔNG TIN BÀI BÁO TÓM TẮT Ngày nhận bài: 03/6/2024 Nghiên cứu được thực hiện với mục đích đánh giá hiệu quả tách chiết cao từ lá loài Blumea densiflora var. hookeri phân bố ở Lâm Đồng bằng dung môi ethanol, đồng thời khảo sát thành phần hoá học và hoạt tính kháng oxy hoá của cao chiết ethanol thu được từ loài này. Kết quả nghiên cứu cho thấy hiệu suất thu cao chiết ethanol bằng phương pháp chiết soxhlet của loài B. densiflora var. hookeri là 9,62%. Thành phần hoá học có trong cao chiết ethanol được định tính theo phương pháp của Nguyễn Văn Đàn và Nguyễn Viết Tựu (1985) kết hợp với phương pháp của Nguyễn Kim Phi Phụng (2007) cho thấy có 7 nhóm hợp chất gồm alkaloid, terpenoid-steroid, flavonoid, glycoside, glycoside tim, tannin và courmarin. Hàm lượng polyphenol tổng số ghi nhận từ cao chiết lá là 5,87 (mgGAE/g trọng lượng khô). Qua khảo sát hoạt tính kháng oxy hoá bằng phương pháp trung hoà gốc tự do DPPH cho thấy cao ethanol của loài này có hoạt tính kháng oxy hoá với giá trị IC50 là 4532,28 (μg/ml). Những phát hiện của nghiên cứu này không chỉ giúp chúng ta hiểu thêm về các khía cạnh sinh hóa của loài thực vật này mà còn thúc đẩy việc khai thác, ứng dụng, bảo tồn và phát triển trong đời sống con người. Ngày hoàn thiện: 26/9/2024 Ngày đăng: 27/9/2024 TỪ KHÓA Kháng oxy hoá Blumea densiflora var. hookeri Chiết xuất ethanol Thành phần hoá học Lâm Đồng
... Aerial parts of P. wightiana yielded 7,8dihydroxy-6-methoxycoumarin (fraxetin) [247]. The compound was also provisionally identified in B. balsamifera [132] and D. nervosa [201]. Brahmi-Chendouh and coworkers [172] tentatively identified 3,7-dihydroxycoumarin during the LC-MS analysis of the deterpenated and defatted D. viscosa leaves. ...
... Molecules 2024, 29, x FOR PEER REVIEW 17 o identified in B. balsamifera [132] and D. nervosa [201]. Brahmi-Chendouh and cowork [172] tentatively identified 3,7-dihydroxycoumarin during the LC-MS analysis of the terpenated and defatted D. viscosa leaves. ...
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Polyphenols are ubiquitous plant metabolites that demonstrate biological activities essential to plant–environment interactions. They are of interest to plant food consumers, as well as to the food, pharmaceutical and cosmetic industry. The class of the plant metabolites comprises both widespread (chlorogenic acids, luteolin, quercetin) and unique compounds of diverse chemical structures but of the common biosynthetic origin. Polyphenols next to sesquiterpenoids are regarded as the major class of the Inuleae-Inulinae metabolites responsible for the pharmacological activity of medicinal plants from the subtribe (Blumea spp., Dittrichia spp., Inula spp., Pulicaria spp. and others). Recent decades have brought a rapid development of molecular and analytical techniques which resulted in better understanding of the taxonomic relationships within the Inuleae tribe and in a plethora of data concerning the chemical constituents of the Inuleae-Inulinae. The current taxonomical classification has introduced changes in the well-established botanical names and rearranged the genera based on molecular plant genetic studies. The newly created chemical data together with the earlier phytochemical studies may provide some complementary information on biochemical relationships within the subtribe. Moreover, they may at least partly explain pharmacological activities of the plant preparations traditionally used in therapy. The current review aimed to systematize the knowledge on the polyphenols of the Inulae-Inulinae.
... Aerial parts of P. wightiana yielded 7,8-dihydroxy-6-methoxycoumarin (fraxetin) [245]. The compound was also provisionally identified in B. balsamifera [133] and D. nervosa [199]. Brahmi-Chendouh and coworkers tentatively identified 3,7-dihydroxycoumarin during the LC-MS analysis of the deterpenated and defatted D. viscosa leaves. ...
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Polyphenols are ubiquitous plant metabolites that demonstrate biological activities essential to the plant-environment interactions. They are of interest to plant food consumers, as well as to the food, pharmaceutical and cosmetic industry. The class of the plant metabolites comprises both widespread (chlorogenic acids, luteolin, quercetin) and unique compounds of diverse chemical structures but of the common biosynthetic origin. Polyphenols, next to sesquiterpenoids are regarded as the major class of the Inuleae-Inulinae metabolites responsible for the pharmacological activity of medicinal plants from the subtribe (Blumea spp., Dittrichia spp., Inula spp., Pulicaria spp. and others). Recent decades have brought a rapid development of molecular and analytical techniques which resulted in better understanding of the taxonomic relationships within the Inuleae tribe and in a plethora of data concerning the chemical constituents of the Inuleae-Inulinae. The current taxonomical classification has introduced changes in the well-established botanical names and rearranged the genera based on molecular plant genetic studies. The newly created chemical data together with the earlier phytochemical studies may provide some complementary information on biochemical relationships within the subtribe. Moreover, they may at least partly explain pharmacological activities of the plant preparations traditionally used in therapy. The current review aimed to systematize the knowledge on the polyphenols of the Inulae-Inulinae.
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Blumea balsamifera (Bb) is a plant used as herbal medicine in Southeast Asia, and it has been used due to its antibacterial, antiinflammatory, anticancer, etc. However, there is currently limited evidence that Bb leaf extract from Batu, Indonesia, contains beneficial compounds against breast cancer. Hence, this study evaluates the active compounds in extract and their potential as therapeutic agents for breast cancer. The total phenolic and flavonoid content was determined based on quantified colourimetry analysis followed by DPPH assay to evaluate antioxidant activity and phytochemicals screening in the extract, which was characterised by LC-HRMS analysis. Furthermore, computational methods are used to predict the pharmacological properties of compounds in the extract, particularly against breast cancer. The results showed a total phenolic content of 103.85+1.5 mgGAE/g and a total flavonoid content of 225.99+17.68 mgQE/g, with an antioxidant activity of 255.17+13.11µg/mL. 11 compounds were identified, but only four (Aurantio-obtusin, Isorhamnetin, Quercetin, and Hemiphloin) were computationally analysed. Molecular docking and dynamics simulation indicate that these phytochemicals bind to their target, possibly limiting their activity. Therefore, Bb has potential as a natural product remedy for breast cancer and contributes significantly to our knowledge of the plant by providing essential data for its future development.
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Polyphenols are ubiquitous plant metabolites that demonstrate biological activities essential to plant–environment interactions. They are of interest to plant food consumers, as well as to the food, pharmaceutical and cosmetic industry. The class of the plant metabolites comprises both widespread (chlorogenic acids, luteolin, quercetin) and unique compounds of diverse chemical structures but of the common biosynthetic origin. Polyphenols next to sesquiterpenoids are regarded as the major class of the Inuleae-Inulinae metabolites responsible for the pharmacological activity of medicinal plants from the subtribe (Blumea spp., Dittrichia spp., Inula spp., Pulicaria spp. and others). Recent decades have brought a rapid development of molecular and analytical techniques which resulted in better understanding of the taxonomic relationships within the Inuleae tribe and in a plethora of data concerning the chemical constituents of the Inuleae-Inulinae. The current taxonomical classification has introduced changes in the well-established botanical names and rearranged the genera based on molecular plant genetic studies. The newly created chemical data together with the earlier phytochemical studies may provide some complementary information on biochemical relationships within the subtribe. Moreover, they may at least partly explain pharmacological activities of the plant preparations traditionally used in therapy. The current review aimed to systematize the knowledge on the polyphenols of the Inulae-Inulinae.