Biochemical Systematics and Ecology最新文献_第2页

Non-targeted metabolomics analysis of Curcuma rhizomes species from different origins using LC-orbitrap HRMS combined with chemometrics LC-orbitrap HRMS结合化学计量学对不同来源姜黄根茎的非靶向代谢组学分析

IF 2 4区生物学

Biochemical Systematics and Ecology Pub Date : 2025-09-20 DOI: 10.1016/j.bse.2025.105140

Ayu Septi Anggraeni , Anjar Windarsih , Hendy Dwi Warmiko , Abdul Rohman , Suratno , Anita Agustina Styawan , Ani Widarti

{"title":"Non-targeted metabolomics analysis of Curcuma rhizomes species from different origins using LC-orbitrap HRMS combined with chemometrics","authors":"Ayu Septi Anggraeni , Anjar Windarsih , Hendy Dwi Warmiko , Abdul Rohman , Suratno , Anita Agustina Styawan , Ani Widarti","doi":"10.1016/j.bse.2025.105140","DOIUrl":"10.1016/j.bse.2025.105140","url":null,"abstract":"<div><div>Curcuma species belonging to the Zingiberaceae family has been widely known for its beneficial effects on human health. Three species of Curcuma, Curcuma longa L., Curcuma xanthorrhiza, and Curcuma manga, have been utilized because of their biological and pharmacological activities. Different origins truly affected the metabolite compositions of Curcuma species, thus affecting the biological effects. This research aimed to apply a non-targeted metabolomics approach utilizing liquid chromatography-high resolution mass spectrometry (LC-HRMS) incorporated with chemometrics of principal component analysis (PCA) and partial least square-discriminant analysis (PLS-DA) for identification of global metabolomics profiles and discrimination of C. longa L., C. xanthorrhiza, and C. manga from different origins. Species and origin-based variations in metabolite composition were clearly visualized through PCA and PLS-DA score plots. Key discriminating metabolites, such as curcumin and (+)-nootkatone, were identified using variable importance in projection (VIP) values, confirming their role in distinguishing among species and origins. These findings suggest that environmental factors significantly influence the metabolic profiles of Curcuma species. In conclusion, this study highlights the potential of LC-HRMS-based non-targeted metabolomics combined with chemometric analysis as a reliable tool for the authentication, classification, and quality control of Curcuma species, supporting their safe and standardized use in pharmaceutical and nutraceutical applications.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"124 ","pages":"Article 105140"},"PeriodicalIF":2.0,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145107094","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Chemical constituents from the fruits of Kochia scoparia and their chemotaxonomic significance 茯苓果实的化学成分及其化学分类意义

IF 2 4区生物学

Biochemical Systematics and Ecology Pub Date : 2025-09-19 DOI: 10.1016/j.bse.2025.105141

Xuelin Chen , Hanlei Wang , Kun Zhang , Jing Lu , Yumei Zhang

{"title":"Chemical constituents from the fruits of Kochia scoparia and their chemotaxonomic significance","authors":"Xuelin Chen , Hanlei Wang , Kun Zhang , Jing Lu , Yumei Zhang","doi":"10.1016/j.bse.2025.105141","DOIUrl":"10.1016/j.bse.2025.105141","url":null,"abstract":"<div><div>For the phytochemical studies of the fruits of Kochia scoparia (L.) Schrad. (Kochiae Fructus, KF), we isolated chemical components from KF. Twenty compounds, including six alkaloids (1–6), nine polyphenols (7–15), three flavonoids (16–18), and two sterols (19–20) were isolated and identified from the ethanol extract of KF by chromatographic and spectroscopic techniques. Compounds 2, 3, and 5–16 were isolated from KF and Kochia genus for the first time. Furthermore, by discussing the taxonomic significance of these secondary metabolites, we found that Araliaceae, Compositae, Ranunculaceae, and Leguminosae might have a close evolutionary relationship. In conclusion, these results provide new insights into the chemical diversity and chemotaxonomic significance of K. scoparia in the Kochia genus and the Chenopodiaceae family.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"124 ","pages":"Article 105141"},"PeriodicalIF":2.0,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145106553","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The chemotaxonomic significance of chemical constituents from Gynostemma pentaphyllum 绞股蓝化学成分的化学分类意义

IF 2 4区生物学

Biochemical Systematics and Ecology Pub Date : 2025-09-18 DOI: 10.1016/j.bse.2025.105139

Hou-Lin Peng , Man-Hui Yang , Wu-Di Zhai , Wen-Juan Li , Jing Liu , Yan Zhang

引用次数: 0

Phytochemical investigation of Commiphora stocksiana (Engl.) Engl. and its comparative metabolomic study with Commiphora wightii (Arn.) Bhandari. Using HPLC-MS-Qtof 黄花香薷植物化学研究（英文版）心血管病。及其与白粉虱的比较代谢组学研究班达里。使用HPLC-MS-Qtof

IF 2 4区生物学

Biochemical Systematics and Ecology Pub Date : 2025-09-12 DOI: 10.1016/j.bse.2025.105122

Shivani Bhati, Aruna Joshi

{"title":"Phytochemical investigation of Commiphora stocksiana (Engl.) Engl. and its comparative metabolomic study with Commiphora wightii (Arn.) Bhandari. Using HPLC-MS-Qtof","authors":"Shivani Bhati, Aruna Joshi","doi":"10.1016/j.bse.2025.105122","DOIUrl":"10.1016/j.bse.2025.105122","url":null,"abstract":"<div><div>The oleo-gum resins and essential oils from genus Commiphora Jacq. have been widely used commercially for different medicinal purposes all over the world. This study presents a tentative phytochemical profile of one of its lesser-known endangered species Commiphora stocksiana (Engl.) Engl. and a comparative assessment with Commiphora wightii (Arn.) Bhandari stem fractions. The fractionation was performed across three different solvent polarities; analysis of the fractions were performed using HPLC-MS-QToF in both positive and negative electrospray ionization (ESI) modes. The statistical analysis performed for the comparative assessment of the two species revealed that methanolic fractions displayed the most pronounced species-level separation, followed by moderate differentiation in ethyl acetate fractions, while petroleum ether fractions exhibited considerable overlap, indicating compositional similarity. The spectral library-based comparison of the features observed in each fraction led to tentative identification of 61 metabolites of varying compound classes in C. stocksiana. Further MS/MS fragmentation analysis of some features observed in petroleum ether fraction of C. stocksiana revealed the presence of Guggulsterone E, confirmed by alignment with a positive control from C. wightii using exact ion chromatogram tool in MS-DIAL. These findings were verified using HPLC analysis by using reference standard mix of Guggulsterone E and Z isomer. Additional feature showed retro-Diels-Alder (RDA) type cleavage of precursor ions, suggesting the presence of ursane- and oleanane-type pentacyclic triterpenoids, highly similar to the boswellic acid derivatives.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"124 ","pages":"Article 105122"},"PeriodicalIF":2.0,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145046805","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Chemical constituents from the endangered tertiary relict conifer Pseudotaxus chienii (W. C. Cheng) W. C. Cheng and their chemotaxonomic significance 濒危第三系残余针叶树伪杉树（Pseudotaxus chienii）化学成分及其化学分类意义

IF 2 4区生物学

Biochemical Systematics and Ecology Pub Date : 2025-09-11 DOI: 10.1016/j.bse.2025.105136

Jin-Xin Zhu , Ze-Yu Zhao , Chi Song , Juan Xiong , Jin-Feng Hu

{"title":"Chemical constituents from the endangered tertiary relict conifer Pseudotaxus chienii (W. C. Cheng) W. C. Cheng and their chemotaxonomic significance","authors":"Jin-Xin Zhu , Ze-Yu Zhao , Chi Song , Juan Xiong , Jin-Feng Hu","doi":"10.1016/j.bse.2025.105136","DOIUrl":"10.1016/j.bse.2025.105136","url":null,"abstract":"<div><div>The white-berry yew [Pseudotaxus chienii (W. C. Cheng) W. C. Cheng], a monotypic species of the genus within the family Taxaceae, is an endangered Chinese endemic relict conifer. A preliminary phytochemical investigation on the ethyl acetate soluble fraction of the 90 % methanol extract from the renewable twigs and needles of P. chienii resulted in the isolation and characterization of 14 compounds, including one δ-tocopherol derivative (1), one nor-labdane (2) with a rare C14-skeleton, two taxoids (3, 4), one abietane-type diterpenoid (5), five ent-kaurane-type diterpenoids (6–10), one isopimarane-type diterpenoid (11), and three pentacyclic triterpenoids (12–14). Among them, compound 1 is previously undescribed. Compound 2 is reported herein as a new natural product. This study also briefly discussed the chemotaxonomic significance of the isolated taxane-type compounds (3, 4), which were obtained from the genus Pseudotaxus for the first time.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"124 ","pages":"Article 105136"},"PeriodicalIF":2.0,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145046802","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Metabolome fingerprinting elucidates chemodiversity in Ornithogalum, Loncomelos, and Melomphis (Asparagaceae) 代谢组指纹图谱分析了天门冬科鸟类、Loncomelos和Melomphis的化学多样性

IF 2 4区生物学

Biochemical Systematics and Ecology Pub Date : 2025-09-11 DOI: 10.1016/j.bse.2025.105121

Khadijeh Rihai Rad , Alireza Babaei , Mahmoud Kiani , Daniel Potter , Hamidreza Ardalani

{"title":"Metabolome fingerprinting elucidates chemodiversity in Ornithogalum, Loncomelos, and Melomphis (Asparagaceae)","authors":"Khadijeh Rihai Rad , Alireza Babaei , Mahmoud Kiani , Daniel Potter , Hamidreza Ardalani","doi":"10.1016/j.bse.2025.105121","DOIUrl":"10.1016/j.bse.2025.105121","url":null,"abstract":"<div><div>This research employed GC-MS metabolomics profiling on bulbs of three genera i.e., Ornithogalum, Loncomelos, and Melomphis (Asparagaceae), to elucidate their taxonomic relationships. The analysis of 30 specimens across 8 species (Ornithogalum comprising 3 species: O. cuspidatum, O. neurostegium, O. orthophyllum; Loncomelos including 4 species: L. arcuatum, L. brachystachys, L. bungei, L. kurdicum; and Melomphis persica) from Iran revealed 147 detected metabolites, classified in several main superclasses e.g., organic oxygen compounds (40 %), organic acids (23 %), and lipids (18 %). Additionally, the metabolites were grouped into classes, with carbohydrates comprising the majority (42 %), followed by carboxylic acids (17 %) and fatty acids (14 %). Multivariate statistics including the variable importance in projection, and hierarchical clustering heat map discerned metabolites differentiating the genera. Projections to latent structures discriminant analysis revealed that Ornithogalum exhibited significant metabolic divergence from the closely related taxa Loncomelos and Melomphis, aligning with their established phylogenetic divisions. Overall, this work significantly expands knowledge of the chemodiversity of these taxa. The findings provide a phylogenetic framework to guide further ethno-pharmacological, phytochemical, and evolutionary research on these geophyte taxa.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"124 ","pages":"Article 105121"},"PeriodicalIF":2.0,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145046803","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Chemical constituents of Baeckea frutescens L. and their chemotaxonomic significance 白栎的化学成分及其化学分类意义

IF 2 4区生物学

Biochemical Systematics and Ecology Pub Date : 2025-09-07 DOI: 10.1016/j.bse.2025.105131

Haijun Wang , Jing Wang , Chunyu Fu , Jiafeng Wang , Lei Liu , Jiaming Wang

{"title":"Chemical constituents of Baeckea frutescens L. and their chemotaxonomic significance","authors":"Haijun Wang , Jing Wang , Chunyu Fu , Jiafeng Wang , Lei Liu , Jiaming Wang","doi":"10.1016/j.bse.2025.105131","DOIUrl":"10.1016/j.bse.2025.105131","url":null,"abstract":"<div><div>A phytochemical investigation of the aerial parts of Baeckea frutescens L. (Myrtaceae) identified twenty-two compounds, including seven flavonoids (1–7), five coumarins (8–12), five triterpenoids (13–17), one monophenol (18), one phenolic glycoside (19), one chromone (20), one ionone (21) and one dihydrochalcone (22). The structures of these compounds were determined by spectroscopic data analysis and comparison with literature. Compounds 3–7, 8, 9, 10, 12, 14, 16 and 22 were first found from the genus Baeckea, while compounds 11, 19 and 20 were first reported within the family Myrtaceae. Furthermore, the chemotaxonomic significance of these compounds was discussed.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"124 ","pages":"Article 105131"},"PeriodicalIF":2.0,"publicationDate":"2025-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145011045","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Secondary metabolites and biochemical adaptations of Scilla lakusicii and S. litardierei to karst environments: a metabolomic perspective 湖泊香茅和利氏香茅次生代谢物及其对喀斯特环境的生化适应：代谢组学视角

IF 2 4区生物学

Biochemical Systematics and Ecology Pub Date : 2025-09-06 DOI: 10.1016/j.bse.2025.105123

Biljana Kukavica , Siniša Škondrić , Uroš Gašić , Dejan Stojković , Filip Nikolić , Tanja Trifković , Đura Nakarada , Miloš Mojović , Danijela Mišić

{"title":"Secondary metabolites and biochemical adaptations of Scilla lakusicii and S. litardierei to karst environments: a metabolomic perspective","authors":"Biljana Kukavica , Siniša Škondrić , Uroš Gašić , Dejan Stojković , Filip Nikolić , Tanja Trifković , Đura Nakarada , Miloš Mojović , Danijela Mišić","doi":"10.1016/j.bse.2025.105123","DOIUrl":"10.1016/j.bse.2025.105123","url":null,"abstract":"<div><div>Comprehensive metabolomic analysis on the leaf extracts of Scilla lakusicii and S. litardierei revealed the presence of 175 secondary metabolites. The identified compounds were categorized into several groups based on their chemical structures: hydroxybenzoic acids, hydroxycinnamic acids, saponins, flavonoid glycosides, flavonoid aglycones, homoisoflavonoid glycosides, homoisoflavonoid aglycones, and other metabolites. Saponins were the most abundant in both species, with some detected for the first time in plant tissues. Regarding volatile compounds, extracts from both species contained α- and β-pinene, neophytadiene, and phytol. S. litardierei showed a higher capacity to neutralize DPPH radicals, while S. lakusicii was more effective in scavenging hydroxyl radicals and reducing Fe3+ and Cu2+ ions. Both species exhibited similar capacities for H2O2 removal and Fe chelation. In terms of anticandidal activity, S. lakusicii was particularly effective against Candida glabrata and resistant C. auris, the latter of which showed no response to the standard drug ketoconazole. S. litardierei was more effective against C. glabrata. Both extracts demonstrated significant efficacy against resistant Escherichia coli in terms of antibacterial activity, while S. litardierei proved more effective against resistant Pseudomonas aeruginosa. Overall, leaf extracts of both Scilla species displayed significant antioxidant and antimicrobial activity, attributable to their specific chemical composition. The richness of secondary metabolites and pronounced biological activity enable the adaptation of these Scilla species to karst environments.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"124 ","pages":"Article 105123"},"PeriodicalIF":2.0,"publicationDate":"2025-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145004394","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Sesquiterpenoids and monoterpenoids from the aerial parts of Sarcandra glabra (Thunb.) Nakai 大戟属植物地上部分的倍半萜类和单萜类南开

IF 2 4区生物学

Biochemical Systematics and Ecology Pub Date : 2025-09-02 DOI: 10.1016/j.bse.2025.105120

Yang Liu , Jie Chen , Wan-Wan Yu , Yong-Ming Luo , Meng-Li He , Xin-Yu Chen , Fang-You Chen

引用次数: 0

Chemical constituents from Clinopodium chinense and their chemotaxonomic significance 中国脚草的化学成分及其化学分类意义

IF 2 4区生物学

Biochemical Systematics and Ecology Pub Date : 2025-08-30 DOI: 10.1016/j.bse.2025.105119

Li Yan, Wan-Bai Su, Zhi-Yang Tang, Yang Yu, Jin-Song Liu, Yun-Peng Sun, Guo-Kai Wang

{"title":"Chemical constituents from Clinopodium chinense and their chemotaxonomic significance","authors":"Li Yan, Wan-Bai Su, Zhi-Yang Tang, Yang Yu, Jin-Song Liu, Yun-Peng Sun, Guo-Kai Wang","doi":"10.1016/j.bse.2025.105119","DOIUrl":"10.1016/j.bse.2025.105119","url":null,"abstract":"<div><div>Twenty-five compounds were isolated from the aerial parts of Clinopodium chinense (Benth.) O. Kuntze, including eight triterpenoids (1–8), nine flavonoids (9–17), three megastigmanes (18–20), four phenylpropanoids (21–24), and one phenolic compound (25). Their structures were elucidated using NMR spectroscopy and verified by comparison with literature data. Among them, compounds 3 and 4 were obtained from this plant for the first time. Compounds 23 was isolated for the first time from the genus Clinopodium. Compounds 18, 19, 24, and 25 were reported for the first time in the family Lamiaceae. Additionally, 3, 7, 23, and 25 exhibited notable anti-inflammatory activity, with 7 displaying the most potent inhibitory effect (IC50 = 3.33 ± 0.52 μM). Furthermore, a detailed discussion was provided regarding the chemotaxonomic significance of the isolated compounds. These findings not only offer chemotaxonomic evidence for evaluating the phylogenetic relationships between Lamiaceae and other plant families, but also substantially expand the known structural diversity of specialized metabolites within this family.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"123 ","pages":"Article 105119"},"PeriodicalIF":2.0,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144917037","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0