Pub Date : 2026-01-29DOI: 10.1016/j.bse.2026.105231
Fernanda Bruxel , Amanda Pastório Borges , Amanda Janner Marques , Marcos Vinicius Vizioli Klaus , Mara Cíntia Winhelmann , Alex Dapont , Camila Thais Scheibler , Shirley Martins Silva , Elisete Maria de Freitas
Essential oils (EO) are volatile plant substances that can be used in the development of natural herbicides, offering an alternative that is less harmful to the environment. This study investigated the phytotoxicity of Hesperozygis ringens essential oil and its major compound, pulegone, on Conyza bonariensis, an infesting plant, and Plantago australis, native species. H. ringens leaves were collected and the EO was extracted by hydro-distillation. The concentrations of 0, 0.001, 0.0025, 0.005, 0.01, and 0.02 % of the EO were tested in bioassays of both germination and early vegetative development, as well as 0, 1.0 % in adult plants. The experiments were conducted on Petri dishes and glass flasks, under controlled conditions. An analysis of variance (ANOVA) was used to evaluate the data. The EO contained 29 compounds, and pulegone was the major compound. The concentrations of 0.01 and 0.02 % inhibited germination and affected early development, causing damages to the membranes, especially in C. bonariensis. Pulegone also had toxicity, yet less intense than the EO, thus suggesting that the synergy of compounds is responsible for the toxic activity. In adult plants, EO toxicity was observed starting at 24 h, reaching its maximum within 72 h. The results confirmed the toxic activity of the EO, indicating that H. ringens is a promising source for natural herbicides.
{"title":"Does Hesperozygis ringens (Benth.) Epling essential oil have potential for control of Conyza bonariensis (L.) Cronquist without damaging native species?","authors":"Fernanda Bruxel , Amanda Pastório Borges , Amanda Janner Marques , Marcos Vinicius Vizioli Klaus , Mara Cíntia Winhelmann , Alex Dapont , Camila Thais Scheibler , Shirley Martins Silva , Elisete Maria de Freitas","doi":"10.1016/j.bse.2026.105231","DOIUrl":"10.1016/j.bse.2026.105231","url":null,"abstract":"<div><div>Essential oils (EO) are volatile plant substances that can be used in the development of natural herbicides, offering an alternative that is less harmful to the environment. This study investigated the phytotoxicity of <em>Hesperozygis ringens</em> essential oil and its major compound, pulegone, on <em>Conyza bonariensis</em>, an infesting plant, and <em>Plantago australis</em>, native species. <em>H. ringens</em> leaves were collected and the EO was extracted by hydro-distillation. The concentrations of 0, 0.001, 0.0025, 0.005, 0.01, and 0.02 % of the EO were tested in bioassays of both germination and early vegetative development, as well as 0, 1.0 % in adult plants. The experiments were conducted on Petri dishes and glass flasks, under controlled conditions. An analysis of variance (ANOVA) was used to evaluate the data. The EO contained 29 compounds, and pulegone was the major compound. The concentrations of 0.01 and 0.02 % inhibited germination and affected early development, causing damages to the membranes, especially in <em>C. bonariensis</em>. Pulegone also had toxicity, yet less intense than the EO, thus suggesting that the synergy of compounds is responsible for the toxic activity. In adult plants, EO toxicity was observed starting at 24 h, reaching its maximum within 72 h. The results confirmed the toxic activity of the EO, indicating that <em>H. ringens</em> is a promising source for natural herbicides.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"126 ","pages":"Article 105231"},"PeriodicalIF":2.0,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146090472","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}
Pub Date : 2026-01-28DOI: 10.1016/j.bse.2026.105232
Navaz Kharazian , Chun Lei Zhiang
The genus Ajuga L. (Lamiaceae), known for its diverse morphological traits and established medicinal properties, comprises over 300 species worldwide. Despite its pharmacological relevance, inter- and intraspecific metabolomic and chemodiversity data remain limited. This study employed a comprehensive, untargeted metabolomics approach that integrated FTIR and QTRAP LC–MS/MS with molecular networking to address this knowledge gap. Twenty-five accessions, representing two species, three subspecies, and two varieties, were collected from natural habitats. The dried aerial parts were extracted using 98 % methanol and then processed via ultrasonic homogenization. An automated workflow facilitated compound annotation, biomarker identification, intraspecific variation analysis, chemotype identification, and molecular networking using MetaboAnalyst 6.0 and the GNPS platform. FTIR profiling revealed dominant vibrational bands associated with O–H, N–H, C–H, CO, CC, C–O, and C–N stretching, as well as N–H and C–H bending. Classical molecular networking via the GNPS platform annotated 261 molecular features, including 139 metabolites that had not been previously reported in Ajuga. A total of 77 validated biomarkers and 17 intraspecific chemotypes with distinct taxonomic significance were identified. Sixty-nine molecular networks were constructed, displaying extensive subcluster diversity and rich chemical variability. The integrated analytical pipeline combining LC-MS/MS and FTIR fingerprinting with multivariate and automated workflows effectively discriminated Ajuga taxa. The chemodiversity uncovered in thi study provides essential data for future phytochemical and pharmacological investigations.
{"title":"Untargeted metabolomics profiling of Ajuga L. species (Lamiaceae): Comprehensive workflow and chemodiversity assessment using FTIR, QTRAP LC-MS/MS fingerprinting, and molecular networking","authors":"Navaz Kharazian , Chun Lei Zhiang","doi":"10.1016/j.bse.2026.105232","DOIUrl":"10.1016/j.bse.2026.105232","url":null,"abstract":"<div><div>The genus <em>Ajuga</em> L. (Lamiaceae), known for its diverse morphological traits and established medicinal properties, comprises over 300 species worldwide. Despite its pharmacological relevance, inter- and intraspecific metabolomic and chemodiversity data remain limited. This study employed a comprehensive, untargeted metabolomics approach that integrated FTIR and QTRAP LC–MS/MS with molecular networking to address this knowledge gap. Twenty-five accessions, representing two species, three subspecies, and two varieties, were collected from natural habitats. The dried aerial parts were extracted using 98 % methanol and then processed via ultrasonic homogenization. An automated workflow facilitated compound annotation, biomarker identification, intraspecific variation analysis, chemotype identification, and molecular networking using MetaboAnalyst 6.0 and the GNPS platform. FTIR profiling revealed dominant vibrational bands associated with O–H, N–H, C–H, C<img>O, C<img>C, C–O, and C–N stretching, as well as N–H and C–H bending. Classical molecular networking via the GNPS platform annotated 261 molecular features, including 139 metabolites that had not been previously reported in <em>Ajuga.</em> A total of 77 validated biomarkers and 17 intraspecific chemotypes with distinct taxonomic significance were identified. Sixty-nine molecular networks were constructed, displaying extensive subcluster diversity and rich chemical variability. The integrated analytical pipeline combining LC-MS/MS and FTIR fingerprinting with multivariate and automated workflows effectively discriminated <em>Ajuga</em> taxa. The chemodiversity uncovered in thi study provides essential data for future phytochemical and pharmacological investigations.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"126 ","pages":"Article 105232"},"PeriodicalIF":2.0,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146090470","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}
Teucrium gypsophilum, an endemic Moroccan species traditionally used for medicinal purposes, was investigated for the first time for its phenolic profile and biological activities. Ethanolic, aqueous, and methanolic leaf extracts were prepared via ultrasound-assisted extraction and analyzed using HPLC-PDA/ESI-MS. The main phenolic chemicals found in the methanolic extract were leonoside A/alyssonoside isomer (96.37 ± 0.361 mg/g), caffeoylquinic acid (75.66 ± 0.218 mg/g), and verbascoside (14.14 ± 0.130 mg/g). Regarding the ethanolic extract, chemical analysis identified the leonoside A/alyssonoside isomer as the most abundant (59.52 ± 0.154 mg/g), followed by the verbascoside isomer and the dihexoside isomer of apigenin with 8.89 ± 0.102 and 5.39 ± 0.005 mg/g, respectively. For aqueous extract, the main compound was caffeic acid 12.65 ± 0.105 mg/g, followed by echinacoside isomer with 6.89 ± 0.006 mg/g.
The extracts demonstrated significant antioxidant activity, with the methanolic extract exhibiting the highest DPPH scavenging effect (IC50 = 2.64 ± 0.52 μg/mL) and reducing power (15.66 ± 0.11 mg AAE/g). In vitro enzyme assays revealed dose-dependent inhibitory effects against elastase (IC50: 9.09 ± 0.003 μg/mL), phospholipase A2 (IC50: 31.75 ± 0.0005 μg/mL, α-amylase (IC50: 0.45 ± 0.004 μg/mL), anti-urease, and anti- α -glucosidase effect which IC50 values equal 0.602 ± 0.049 and 0.604 ± 0.084 mg/mL and 0.38 ± 0.005 μg/mL, respectively. These findings highlight the pharmaceutical and nutraceutical potential of T. gypsophilum as a rich source of bioactive phenolic compounds.
{"title":"Ultrasound-assisted extraction and HPLC-PDA/ESI-MS profiling of Teucrium gypsophilum: Antioxidant and enzyme inhibitory activities","authors":"Taoufiq Benali , Rhizlan Abdnim , Mustapha Laghmari , Jihane Touhtouh , Amal Elrherabi , Fatima Lakhdar , Abdelmajid Khabbach , Mohamed Bnouham , Aziz Bouymajane , Balahbib Abdelaali , Abdelhakim Bouyahya , Gokhan Zengin , Roberto Laganà Vinci , Francesco Cacciola , Khalil Hammani","doi":"10.1016/j.bse.2026.105233","DOIUrl":"10.1016/j.bse.2026.105233","url":null,"abstract":"<div><div><em>Teucrium gypsophilum</em>, an endemic Moroccan species traditionally used for medicinal purposes, was investigated for the first time for its phenolic profile and biological activities. Ethanolic, aqueous, and methanolic leaf extracts were prepared <em>via</em> ultrasound-assisted extraction and analyzed using HPLC-PDA/ESI-MS. The main phenolic chemicals found in the methanolic extract were leonoside A/alyssonoside isomer (96.37 ± 0.361 mg/g), caffeoylquinic acid (75.66 ± 0.218 mg/g), and verbascoside (14.14 ± 0.130 mg/g). Regarding the ethanolic extract, chemical analysis identified the leonoside A/alyssonoside isomer as the most abundant (59.52 ± 0.154 mg/g), followed by the verbascoside isomer and the dihexoside isomer of apigenin with 8.89 ± 0.102 and 5.39 ± 0.005 mg/g, respectively. For aqueous extract, the main compound was caffeic acid 12.65 ± 0.105 mg/g, followed by echinacoside isomer with 6.89 ± 0.006 mg/g.</div><div>The extracts demonstrated significant antioxidant activity, with the methanolic extract exhibiting the highest DPPH scavenging effect (IC<sub>50</sub> = 2.64 ± 0.52 μg/mL) and reducing power (15.66 ± 0.11 mg AAE/g). In vitro enzyme assays revealed dose-dependent inhibitory effects against elastase (IC<sub>50</sub>: 9.09 ± 0.003 μg/mL), phospholipase A<sub>2</sub> (IC<sub>50</sub>: 31.75 ± 0.0005 μg/mL, <em>α</em>-amylase (IC<sub>50</sub>: 0.45 ± 0.004 μg/mL), anti-urease, and anti- <em>α</em> -glucosidase effect which IC<sub>50</sub> values equal 0.602 ± 0.049 and 0.604 ± 0.084 mg/mL and 0.38 ± 0.005 μg/mL, respectively. These findings highlight the pharmaceutical and nutraceutical potential of <em>T. gypsophilum</em> as a rich source of bioactive phenolic compounds.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"126 ","pages":"Article 105233"},"PeriodicalIF":2.0,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146090471","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}
Pub Date : 2026-01-21DOI: 10.1016/j.bse.2026.105234
Ruiqing Wu , Yuhuan Sun , Shaoshan Gao , Shumeng Guo , Zhaoyang Lin , Changjiang Ying , Yan Li
Phytochemical investigation on the rhizomes of Abelmoschus manihot (L.) has resulted in the isolation of 24 natural compounds including six phenolics (1–3, 5, 17 and 19), one sesquiterpenoid (4), three coumarins (7–9), three alkaloids (6, 11 and 12), one lignan (10), two nucleosides (13 and 14), three terpenoids (15, 18 and 20), one steroid (16) and four flavonoids (21–24) from its ethanolic extract using column chromatography. Their structures were determined by analysis of NMR spectra and comparison of the data with literature. Among them, nine compounds (1, 5, 9–12, 17, 19 and 20) were firstly found in the family Malvaceae; and nine compounds (2, 4, 6–8, 15, 18, 21 and 22) were isolated for the first time from A. manihot (L.). Their chemotaxonomic significance was comprehensively discussed herein.
{"title":"Chemical constituents from the rhizomes of Abelmoschus manihot (L.) and their chemotaxonomic significance","authors":"Ruiqing Wu , Yuhuan Sun , Shaoshan Gao , Shumeng Guo , Zhaoyang Lin , Changjiang Ying , Yan Li","doi":"10.1016/j.bse.2026.105234","DOIUrl":"10.1016/j.bse.2026.105234","url":null,"abstract":"<div><div>Phytochemical investigation on the rhizomes of <em>Abelmoschus manihot</em> (L.) has resulted in the isolation of 24 natural compounds including six phenolics (<strong>1</strong>–<strong>3</strong>, <strong>5</strong>, <strong>17</strong> and <strong>19</strong>), one sesquiterpenoid (<strong>4</strong>), three coumarins (<strong>7</strong>–<strong>9</strong>), three alkaloids (<strong>6</strong>, <strong>11</strong> and <strong>12</strong>), one lignan (<strong>10</strong>), two nucleosides (<strong>13</strong> and <strong>14</strong>), three terpenoids (<strong>15</strong>, <strong>18</strong> and <strong>20</strong>), one steroid (<strong>16</strong>) and four flavonoids (<strong>21</strong>–<strong>24</strong>) from its ethanolic extract using column chromatography. Their structures were determined by analysis of NMR spectra and comparison of the data with literature. Among them, nine compounds (<strong>1</strong>, <strong>5</strong>, <strong>9</strong>–<strong>12</strong>, <strong>17</strong>, <strong>19</strong> and <strong>20</strong>) were firstly found in the family Malvaceae; and nine compounds (<strong>2</strong>, <strong>4</strong>, <strong>6</strong>–<strong>8</strong>, <strong>15</strong>, <strong>18</strong>, <strong>21</strong> and <strong>22</strong>) were isolated for the first time from <em>A</em>. <em>manihot</em> (L.). Their chemotaxonomic significance was comprehensively discussed herein.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"126 ","pages":"Article 105234"},"PeriodicalIF":2.0,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146034523","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}
Pub Date : 2026-01-21DOI: 10.1016/j.bse.2026.105230
Stéphanie Morelon , Gaëtan Glauser , Emmanuel Defossez , Jérémy Gauthier , Jason Grant , Nadir Alvarez , Sergio Rasmann
Understanding how evolutionary history and ecological pressures shape plant chemical diversity is central to ecology and evolution, yet it remains unclear whether metabolomic data can reliably detect fine-scale, intraspecific divergence, particularly in morphologically cryptic taxa. While metabolomics has revealed broad patterns of chemical evolution across lineages, its power to resolve genetically structured variation within species is still underexplored. Here, we investigated the alpine Primula auricula complex, a morphologically uniform but genetically subdivided taxon distributed across the Alps. Using ultra-high-performance liquid chromatography coupled with mass spectrometry, we profiled the metabolomes of individuals sampled from 37 populations spanning three main genetic clades and an outlier group, previously identified through ddRADseq phylogeography. We found that metabolomic diversity carries a strong phylogenetic signal: each clade exhibited distinct chemical profiles, with exclusive or enriched metabolite superclasses such as carotenoids in one clade and phenylpropanoids in another. Outlier populations displayed reduced metabolomic richness, consistent with potential genetic drift or bottlenecks. While phylogenetic structure was the dominant driver of chemical variation, climatic variables, particularly temperature and precipitation, modulated certain stress-related metabolite groups, such as octadecanoids. Our results demonstrate that metabolomic profiling can capture both historical divergence and ecological adaptation in cryptic alpine taxa. By linking chemical, genetic, and environmental variation, this study highlights metabolomics as a cost-effective and high-resolution approach to uncover cryptic diversity, refine taxonomy, and inform conservation strategies in biodiversity hotspots increasingly threatened by climate change.
{"title":"Metabolomic discrimination of the Primula auricula genetic complex","authors":"Stéphanie Morelon , Gaëtan Glauser , Emmanuel Defossez , Jérémy Gauthier , Jason Grant , Nadir Alvarez , Sergio Rasmann","doi":"10.1016/j.bse.2026.105230","DOIUrl":"10.1016/j.bse.2026.105230","url":null,"abstract":"<div><div>Understanding how evolutionary history and ecological pressures shape plant chemical diversity is central to ecology and evolution, yet it remains unclear whether metabolomic data can reliably detect fine-scale, intraspecific divergence, particularly in morphologically cryptic taxa. While metabolomics has revealed broad patterns of chemical evolution across lineages, its power to resolve genetically structured variation within species is still underexplored. Here, we investigated the alpine <em>Primula auricula</em> complex, a morphologically uniform but genetically subdivided taxon distributed across the Alps. Using ultra-high-performance liquid chromatography coupled with mass spectrometry, we profiled the metabolomes of individuals sampled from 37 populations spanning three main genetic clades and an outlier group, previously identified through ddRADseq phylogeography. We found that metabolomic diversity carries a strong phylogenetic signal: each clade exhibited distinct chemical profiles, with exclusive or enriched metabolite superclasses such as carotenoids in one clade and phenylpropanoids in another. Outlier populations displayed reduced metabolomic richness, consistent with potential genetic drift or bottlenecks. While phylogenetic structure was the dominant driver of chemical variation, climatic variables, particularly temperature and precipitation, modulated certain stress-related metabolite groups, such as octadecanoids. Our results demonstrate that metabolomic profiling can capture both historical divergence and ecological adaptation in cryptic alpine taxa. By linking chemical, genetic, and environmental variation, this study highlights metabolomics as a cost-effective and high-resolution approach to uncover cryptic diversity, refine taxonomy, and inform conservation strategies in biodiversity hotspots increasingly threatened by climate change.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"126 ","pages":"Article 105230"},"PeriodicalIF":2.0,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146034426","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}
Pub Date : 2026-01-17DOI: 10.1016/j.bse.2026.105228
Xiaohui Gong, Xiaoman Li, Yingyi Wang, Feng Shao
Forty-one compounds, including 6 pterocarpans(4, 6–10), 6 neoflavonoids(28–33), 2 dihydroflavones(11, 12), 7 dihydroisoflavones(13–19), 4 isoflavones(20–23), 3 isoflavans(24–26), 1 chalcone(27), 4 terpenoids(1–3, 40), 3 benzofurans(36, 37, 41), 1 coumarin(5), and 4 phenols(34, 35, 38, 39) were obtained from the heartwood of Dalbergia odorifera. Their structures were elucidated by a combination of Nuclear Magnetic Resonance (NMR) Spectroscopy, Mass Spectrometry (MS) and comparison with the literature. Among them, compounds 35 and 38 were reported from the Leguminosae family for the first time. Compounds 6, 8, 24, and 34 represent discoveries for the first time within the genus Dalbergia, while compound 41 was found in Dalbergia odorifera for the first time. Moreover, the chemotaxonomic significance of these compounds was summarized.
{"title":"Chemical constituents from the heartwood of Dalbergia odorifera and their chemotaxonomic significance","authors":"Xiaohui Gong, Xiaoman Li, Yingyi Wang, Feng Shao","doi":"10.1016/j.bse.2026.105228","DOIUrl":"10.1016/j.bse.2026.105228","url":null,"abstract":"<div><div>Forty-one compounds, including 6 pterocarpans(<strong>4</strong>, <strong>6</strong>–<strong>10</strong>), 6 neoflavonoids(<strong>28</strong>–<strong>33</strong>), 2 dihydroflavones(<strong>11</strong>, <strong>12</strong>), 7 dihydroisoflavones(<strong>13</strong>–<strong>19</strong>), 4 isoflavones(<strong>20</strong>–<strong>23</strong>), 3 isoflavans(<strong>24</strong>–<strong>26</strong>), 1 chalcone(<strong>27</strong>), 4 terpenoids(<strong>1</strong>–<strong>3</strong>, <strong>40</strong>), 3 benzofurans(<strong>36</strong>, <strong>37</strong>, <strong>41),</strong> 1 coumarin(<strong>5</strong>), and 4 phenols(<strong>34</strong>, <strong>35</strong>, <strong>38</strong>, <strong>39</strong>) were obtained from the heartwood of <em>Dalbergia odorifera</em>. Their structures were elucidated by a combination of Nuclear Magnetic Resonance (NMR) Spectroscopy, Mass Spectrometry (MS) and comparison with the literature. Among them, compounds <strong>35</strong> and <strong>38</strong> were reported from the <em>Leguminosae</em> family for the first time. Compounds <strong>6</strong>, <strong>8</strong>, <strong>24</strong>, and <strong>34</strong> represent discoveries for the first time within the genus <em>Dalbergia</em>, while compound <strong>41</strong> was found in <em>Dalbergia odorifera</em> for the first time. Moreover, the chemotaxonomic significance of these compounds was summarized.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"126 ","pages":"Article 105228"},"PeriodicalIF":2.0,"publicationDate":"2026-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146034522","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}
Pub Date : 2026-01-16DOI: 10.1016/j.bse.2026.105229
Wenyuan Zhou , Yi Yang , Xiaonan Li , Xiujuan Fu , Siwei Chen , Hui Lei , Ying Zhang , Dan Zhang , Chunlian Wu
Dendrobium nobile Lindl. belongs to the Orchidaceae family and is used in China as a herbal tea. It is widely utilized in traditional Chinese medicine to treat various ailments. In this study, six compounds were identified from the stems of Dendrobium nobile through the combined use of TLC and CC, including dendrosideol A (1), as well as five known compounds (2–6). The structures of these compounds were determined by 1D and 2D NMR spectra (1H NMR, 13C NMR, HSQC, HMBC, COSY and NOESY), and HR-ESI-MS spectroscopic analysis and the absolute configuration was confirmed by ECD calculation. In addition, the chemotaxonomic significance of these compounds was discussed.
{"title":"A new sesquiterpene and other constituents from Dendrobium nobile Lindl. and their chemotaxonomic significance","authors":"Wenyuan Zhou , Yi Yang , Xiaonan Li , Xiujuan Fu , Siwei Chen , Hui Lei , Ying Zhang , Dan Zhang , Chunlian Wu","doi":"10.1016/j.bse.2026.105229","DOIUrl":"10.1016/j.bse.2026.105229","url":null,"abstract":"<div><div><em>Dendrobium nobile</em> Lindl. belongs to the Orchidaceae family and is used in China as a herbal tea. It is widely utilized in traditional Chinese medicine to treat various ailments. In this study, six compounds were identified from the stems of <em>Dendrobium nobile</em> through the combined use of TLC and CC, including dendrosideol A (<strong>1</strong>), as well as five known compounds (<strong>2–6</strong>). The structures of these compounds were determined by 1D and 2D NMR spectra (<sup>1</sup>H NMR, <sup>13</sup>C NMR, HSQC, HMBC, COSY and NOESY), and HR-ESI-MS spectroscopic analysis and the absolute configuration was confirmed by ECD calculation. In addition, the chemotaxonomic significance of these compounds was discussed.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"126 ","pages":"Article 105229"},"PeriodicalIF":2.0,"publicationDate":"2026-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145973379","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}
The phytochemical investigation of Senecio scandens Buch. - Ham extracted from n-BuOH resulted in the isolation and identification of eight known compounds—two phenolic acids (1–2) and six flavonoid compounds (3–8). The structures of these compounds were elucidated using spectroscopic methods, and their nuclear magnetic resonance spectra were compared with previously reported data in the literature. This study reports, for the first time, the isolation of compounds 2 and 7 from the Asteraceae family, compound 1 from the genus Senecio, and compounds 5 and 8 from the species S. scandens Buch. - Ham. Furthermore, the chemotaxonomic significance of the compounds isolated from S. scandens Buch. -Ham was examined in detail.
{"title":"Chemical constituents from the n-Butanol extract of Senecio scandens Buch. - Ham and their chemotaxonomic significance","authors":"Chunshan Ke, Liang Lai, Chuanqi Xie, Junwei Xu, Zhiyong Xu, Yunfei Liu, Yongsheng Guo, Xiaodan Han, Wei Xiong, Lei Wu, Hongxu Li","doi":"10.1016/j.bse.2026.105226","DOIUrl":"10.1016/j.bse.2026.105226","url":null,"abstract":"<div><div>The phytochemical investigation of <em>Senecio scandens</em> Buch. - Ham extracted from n-BuOH resulted in the isolation and identification of eight known compounds—two phenolic acids (<strong>1</strong>–<strong>2</strong>) and six flavonoid compounds (<strong>3</strong>–<strong>8</strong>). The structures of these compounds were elucidated using spectroscopic methods, and their nuclear magnetic resonance spectra were compared with previously reported data in the literature. This study reports, for the first time, the isolation of compounds <strong>2</strong> and <strong>7</strong> from the Asteraceae family, compound <strong>1</strong> from the genus <em>Senecio</em>, and compounds <strong>5</strong> and <strong>8</strong> from the species <em>S</em>. <em>scandens</em> Buch. - Ham. Furthermore, the chemotaxonomic significance of the compounds isolated from <em>S</em>. <em>scandens</em> Buch. -Ham was examined in detail.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"126 ","pages":"Article 105226"},"PeriodicalIF":2.0,"publicationDate":"2026-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145973427","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}
Pub Date : 2026-01-14DOI: 10.1016/j.bse.2026.105223
Pham Thi Bich Dao , Le Ba Vinh , Nguyen Tien Dat , Ngo Van Hieu , Chu Van Tan , Pham Van Cong , Nguyen Thi Thanh , Nguyen Hai Dang , Hoang Le Tuan Anh
Phytochemical investigation of the methanol extracts from the stems and leaves of Vernonia amygdalina Delile afforded one new stigmastane steroidal saponin, named 28-epi-vernoramyoside D (1), together with five known analogues: vernoramyoside D (2), (22R,23S,24R,28S)-28-methoxy-7,8,9,11-tetradehydro-3β,16α,21,24-tetrahydroxy 21,23:22,28-diepoxy-5α-stigmastane (3), vernoamyoside E (4), veramyoside H (5), and veramyoside J (6). The structures of all isolated compounds were elucidated by comprehensive 1D and 2D NMR spectroscopy, along with HR-ESI-MS analysis. Compounds 1–6 were evaluated for their inhibitory activities against α-glucosidase and xanthine oxidase. Among them, compounds 5 and 6 exhibited significant α-glucosidase inhibition, with IC50 values of 48.55 ± 4.31 μM and 7.42 ± 0.95 μM, respectively, comparable to that of acarbose (127.53 ± 1.73 μM). None of the compounds showed inhibitory activity against xanthine oxidase. These findings highlight the chemotaxonomic significance of the isolated constituents and their potential as α-glucosidase inhibitory agents.
{"title":"Phytochemical investigation of Vernonia amygdalina Delile","authors":"Pham Thi Bich Dao , Le Ba Vinh , Nguyen Tien Dat , Ngo Van Hieu , Chu Van Tan , Pham Van Cong , Nguyen Thi Thanh , Nguyen Hai Dang , Hoang Le Tuan Anh","doi":"10.1016/j.bse.2026.105223","DOIUrl":"10.1016/j.bse.2026.105223","url":null,"abstract":"<div><div>Phytochemical investigation of the methanol extracts from the stems and leaves of <em>Vernonia amygdalina</em> Delile afforded one new stigmastane steroidal saponin, named 28-<em>epi</em>-vernoramyoside D (<strong>1</strong>), together with five known analogues: vernoramyoside D (<strong>2</strong>), (22<em>R</em>,23<em>S</em>,24<em>R</em>,28<em>S</em>)-28-methoxy-7,8,9,11-tetradehydro-3<em>β</em>,16<em>α</em>,21,24-tetrahydroxy 21,23:22,28-diepoxy-5<em>α</em>-stigmastane (<strong>3</strong>), vernoamyoside E (<strong>4</strong>), veramyoside H (<strong>5</strong>), and veramyoside J (<strong>6</strong>). The structures of all isolated compounds were elucidated by comprehensive 1D and 2D NMR spectroscopy, along with HR-ESI-MS analysis. Compounds <strong>1</strong>–<strong>6</strong> were evaluated for their inhibitory activities against α-glucosidase and xanthine oxidase. Among them, compounds <strong>5</strong> and <strong>6</strong> exhibited significant α-glucosidase inhibition, with IC<sub>50</sub> values of 48.55 ± 4.31 μM and 7.42 ± 0.95 μM, respectively, comparable to that of acarbose (127.53 ± 1.73 μM). None of the compounds showed inhibitory activity against xanthine oxidase. These findings highlight the chemotaxonomic significance of the isolated constituents and their potential as α-glucosidase inhibitory agents.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"126 ","pages":"Article 105223"},"PeriodicalIF":2.0,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145973377","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}
Pub Date : 2026-01-14DOI: 10.1016/j.bse.2026.105227
Hong Sun , Yanjuan Zhai , Jiafei Li , Xingyu Guo , Jiayi Wang , Chao Gu , Yujing Zhang , Song Li , Shengjun Chen , Chaofeng Zhang , Dali Kang , Yuntian Zhang
Lasiosphaera calvatia, a macrofungus from the Lycoperdaceae family, is a famous traditional Chinese medicine with various pharmacological activities, but its chemotaxonomy investigation is relatively insufficient. In addition to the three official origins recorded in the Pharmacopeia of the People's Republic of China: Lasiosphaera fenzlii, Calvatia gigantea, and Calvatia lilacina, there are other related species and adulterants in the market, such as Bovistella sinensis, and it is necessary to establish effective methods for species discrimination. To achieve this task, High-performance liquid chromatography (HPLC) fingerprint method were developed, and a total of 19 characteristic peaks were established. Combined with chemometric analysis, including cluster analysis (CA), principal component analysis (PCA), and orthogonal partial least squares-discriminant analysis (OPLS-DA), the four species were effectively discriminated. Simultaneously, 6 components (α-linolenic acid, linoleic acid, palmitic acid, oleic acid, stearic acid, and ergosterol) were determined, and the content analysis proposed them as characteristic markers for species discrimination. The above results are integrated to indicate that the quality of Calvatia lilacina and Calvatia gigantea is relatively high, and Bovistella sinensis is the lowest. The established methods are durable and reproducible, providing a foundation for quality evaluation and identification of this medicinal material.
{"title":"Discrimination of various botanical origins of Lasiosphaera calvatia and their adulterant by chemical fingerprint, multi-component quantification, and chemometric analysis","authors":"Hong Sun , Yanjuan Zhai , Jiafei Li , Xingyu Guo , Jiayi Wang , Chao Gu , Yujing Zhang , Song Li , Shengjun Chen , Chaofeng Zhang , Dali Kang , Yuntian Zhang","doi":"10.1016/j.bse.2026.105227","DOIUrl":"10.1016/j.bse.2026.105227","url":null,"abstract":"<div><div><em>Lasiosphaera calvatia</em>, a macrofungus from the Lycoperdaceae family, is a famous traditional Chinese medicine with various pharmacological activities, but its chemotaxonomy investigation is relatively insufficient. In addition to the three official origins recorded in the Pharmacopeia of the People's Republic of China: <em>Lasiosphaera fenzlii</em>, <em>Calvatia gigantea</em>, and <em>Calvatia lilacina</em>, there are other related species and adulterants in the market, such as <em>Bovistella sinensis</em>, and it is necessary to establish effective methods for species discrimination. To achieve this task, High-performance liquid chromatography (HPLC) fingerprint method were developed, and a total of 19 characteristic peaks were established. Combined with chemometric analysis, including cluster analysis (CA), principal component analysis (PCA), and orthogonal partial least squares-discriminant analysis (OPLS-DA), the four species were effectively discriminated. Simultaneously, 6 components (α-linolenic acid, linoleic acid, palmitic acid, oleic acid, stearic acid, and ergosterol) were determined, and the content analysis proposed them as characteristic markers for species discrimination. The above results are integrated to indicate that the quality of <em>Calvatia lilacina</em> and <em>Calvatia gigantea</em> is relatively high, and <em>Bovistella sinensis</em> is the lowest. The established methods are durable and reproducible, providing a foundation for quality evaluation and identification of this medicinal material.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"126 ","pages":"Article 105227"},"PeriodicalIF":2.0,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145973378","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}