NMR metabolomics insight into phytochemistry
Аутори
Anđelković, BobanSofrenić, Ivana
Đorđević, Iris
Ivanović, Stefan
Cvetković, Mirjana
Gođevac, Dejan
Milosavljević, Slobodan
Конференцијски прилог (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
Metabolomics has emerged in recent years as an indispensable tool for the analysis of thousands
of metabolites from crude natural extracts, leading to a paradigm shift in natural products drug
research. Many of the technologies used in metabolomics have method-specific advantages and
drawbacks in terms of diversity of metabolites detected, sensitivity, or resolution.
We will describe the use of metabolomic methods for:
• Correlation of propolis composition to altitude of collection and revealing its major botanical
origin.
• revealing cytotoxic metabolites from Mahonia aquifolium stem-bark
• application for differentiation of the ambiguous taxonomy of the genus Amphoricarpos Vis.
In order to correlate variability in Populus type propolis composition with the altitude of its
collection, NMR spectroscopy followed by OPLS was conducted. The botanical origin of propolis
was established by comparing propolis spectral data to those of buds of various Populus species.
An O2PLS met...hod was utilized to integrate two blocks of data. The utilization of various NMR
experiments, in combination with sophisticated multivariate analysis methods, was demonstrated
to be a powerful tool to correlate propolis composition to altitude of collection and reveal its major
botanical origin. OPLS methods were used to identify changes in the chemical composition of
propolis, while O2PLS methods enabled the identification of the botanical origin of propolis.[1]
A 1H NMR-based metabolomics method was used to reveal cytotoxic metabolites from Mahonia
aquifolium stem-bark. Primary and secondary metabolites in the Mahonia aquifolium extracts
were identified by thorough analysis of 1H and 2D NMR spectra, without prior isolation. An OPLS
multivariate analysis method was used to correlate the chemical composition of the plant extracts
with the results of cytotoxic activity against Human cervical adenocarcinoma cell line.[2]
Metabolomic methods were used to get more insight into the ambiguous taxonomy of the genus
Amphoricarpos Vis. The 1H NMR spectroscopy combined with multivariate data analysis has been
applied. OPLS-DA has been shown to be the best method for clear discrimination of these samples
based on the metabolites present in the extracts. 1H NMR fingerprinting in combination with PCA
and OPLS-DA showed a clear separation between the species resulting in two groups according to
metabolomic similarities.
Кључне речи:
metabolomics / nmr spectroscopy / opls / Populus / AmphoricarposИзвор:
Book of abstracts - The Adriatic NMR Conference, 22–24 September 2020, Peroj, Croatia, 2020, 30-30Издавач:
- Zagreb, Croatia : Department of Chemistry, Faculty of Science, University of Zagreb
Финансирање / пројекти:
- Биоактивни природни производи самониклих, гајених и јестивих биљака: одређивање структура и активности (RS-MESTD-Basic Research (BR or ON)-172053)
Институција/група
IHTMTY - CONF AU - Anđelković, Boban AU - Sofrenić, Ivana AU - Đorđević, Iris AU - Ivanović, Stefan AU - Cvetković, Mirjana AU - Gođevac, Dejan AU - Milosavljević, Slobodan PY - 2020 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/5525 AB - Metabolomics has emerged in recent years as an indispensable tool for the analysis of thousands of metabolites from crude natural extracts, leading to a paradigm shift in natural products drug research. Many of the technologies used in metabolomics have method-specific advantages and drawbacks in terms of diversity of metabolites detected, sensitivity, or resolution. We will describe the use of metabolomic methods for: • Correlation of propolis composition to altitude of collection and revealing its major botanical origin. • revealing cytotoxic metabolites from Mahonia aquifolium stem-bark • application for differentiation of the ambiguous taxonomy of the genus Amphoricarpos Vis. In order to correlate variability in Populus type propolis composition with the altitude of its collection, NMR spectroscopy followed by OPLS was conducted. The botanical origin of propolis was established by comparing propolis spectral data to those of buds of various Populus species. An O2PLS method was utilized to integrate two blocks of data. The utilization of various NMR experiments, in combination with sophisticated multivariate analysis methods, was demonstrated to be a powerful tool to correlate propolis composition to altitude of collection and reveal its major botanical origin. OPLS methods were used to identify changes in the chemical composition of propolis, while O2PLS methods enabled the identification of the botanical origin of propolis.[1] A 1H NMR-based metabolomics method was used to reveal cytotoxic metabolites from Mahonia aquifolium stem-bark. Primary and secondary metabolites in the Mahonia aquifolium extracts were identified by thorough analysis of 1H and 2D NMR spectra, without prior isolation. An OPLS multivariate analysis method was used to correlate the chemical composition of the plant extracts with the results of cytotoxic activity against Human cervical adenocarcinoma cell line.[2] Metabolomic methods were used to get more insight into the ambiguous taxonomy of the genus Amphoricarpos Vis. The 1H NMR spectroscopy combined with multivariate data analysis has been applied. OPLS-DA has been shown to be the best method for clear discrimination of these samples based on the metabolites present in the extracts. 1H NMR fingerprinting in combination with PCA and OPLS-DA showed a clear separation between the species resulting in two groups according to metabolomic similarities. PB - Zagreb, Croatia : Department of Chemistry, Faculty of Science, University of Zagreb C3 - Book of abstracts - The Adriatic NMR Conference, 22–24 September 2020, Peroj, Croatia T1 - NMR metabolomics insight into phytochemistry SP - 30 EP - 30 UR - https://hdl.handle.net/21.15107/rcub_cer_5525 ER -
@conference{ author = "Anđelković, Boban and Sofrenić, Ivana and Đorđević, Iris and Ivanović, Stefan and Cvetković, Mirjana and Gođevac, Dejan and Milosavljević, Slobodan", year = "2020", abstract = "Metabolomics has emerged in recent years as an indispensable tool for the analysis of thousands of metabolites from crude natural extracts, leading to a paradigm shift in natural products drug research. Many of the technologies used in metabolomics have method-specific advantages and drawbacks in terms of diversity of metabolites detected, sensitivity, or resolution. We will describe the use of metabolomic methods for: • Correlation of propolis composition to altitude of collection and revealing its major botanical origin. • revealing cytotoxic metabolites from Mahonia aquifolium stem-bark • application for differentiation of the ambiguous taxonomy of the genus Amphoricarpos Vis. In order to correlate variability in Populus type propolis composition with the altitude of its collection, NMR spectroscopy followed by OPLS was conducted. The botanical origin of propolis was established by comparing propolis spectral data to those of buds of various Populus species. An O2PLS method was utilized to integrate two blocks of data. The utilization of various NMR experiments, in combination with sophisticated multivariate analysis methods, was demonstrated to be a powerful tool to correlate propolis composition to altitude of collection and reveal its major botanical origin. OPLS methods were used to identify changes in the chemical composition of propolis, while O2PLS methods enabled the identification of the botanical origin of propolis.[1] A 1H NMR-based metabolomics method was used to reveal cytotoxic metabolites from Mahonia aquifolium stem-bark. Primary and secondary metabolites in the Mahonia aquifolium extracts were identified by thorough analysis of 1H and 2D NMR spectra, without prior isolation. An OPLS multivariate analysis method was used to correlate the chemical composition of the plant extracts with the results of cytotoxic activity against Human cervical adenocarcinoma cell line.[2] Metabolomic methods were used to get more insight into the ambiguous taxonomy of the genus Amphoricarpos Vis. The 1H NMR spectroscopy combined with multivariate data analysis has been applied. OPLS-DA has been shown to be the best method for clear discrimination of these samples based on the metabolites present in the extracts. 1H NMR fingerprinting in combination with PCA and OPLS-DA showed a clear separation between the species resulting in two groups according to metabolomic similarities.", publisher = "Zagreb, Croatia : Department of Chemistry, Faculty of Science, University of Zagreb", journal = "Book of abstracts - The Adriatic NMR Conference, 22–24 September 2020, Peroj, Croatia", title = "NMR metabolomics insight into phytochemistry", pages = "30-30", url = "https://hdl.handle.net/21.15107/rcub_cer_5525" }
Anđelković, B., Sofrenić, I., Đorđević, I., Ivanović, S., Cvetković, M., Gođevac, D.,& Milosavljević, S.. (2020). NMR metabolomics insight into phytochemistry. in Book of abstracts - The Adriatic NMR Conference, 22–24 September 2020, Peroj, Croatia Zagreb, Croatia : Department of Chemistry, Faculty of Science, University of Zagreb., 30-30. https://hdl.handle.net/21.15107/rcub_cer_5525
Anđelković B, Sofrenić I, Đorđević I, Ivanović S, Cvetković M, Gođevac D, Milosavljević S. NMR metabolomics insight into phytochemistry. in Book of abstracts - The Adriatic NMR Conference, 22–24 September 2020, Peroj, Croatia. 2020;:30-30. https://hdl.handle.net/21.15107/rcub_cer_5525 .
Anđelković, Boban, Sofrenić, Ivana, Đorđević, Iris, Ivanović, Stefan, Cvetković, Mirjana, Gođevac, Dejan, Milosavljević, Slobodan, "NMR metabolomics insight into phytochemistry" in Book of abstracts - The Adriatic NMR Conference, 22–24 September 2020, Peroj, Croatia (2020):30-30, https://hdl.handle.net/21.15107/rcub_cer_5525 .