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Type of publication: research article
Type of publication (PDB): Straipsnis Clarivate Analytics Web of Science / Article in Clarivate Analytics Web of Science (S1)
Field of Science: Chemijos inžinerija / Chemical engineering (T005);Informatika / Informatics (N009)
Author(s): Drevinskas, Tomas;Maruška, Audrius;Telksnys, Adolfas Laimutis;Hjertén, Stellan;Stankevičius, Mantas;Lelešius, Raimundas;Mickienė, Rūta;Karpovaitė, Agneta;Šalomskas, Algirdas;Tiso, Nicola;Ragažinskienė, Ona
Title: Chromatographic data segmentation method: a hybrid analytical approach for the investigation of antiviral substances in medicinal plant extracts
Is part of: Analytical chemistry. Washington : American chemical society, 2019, Vol. 91, iss. 1
Extent: p. 1080-1088
Date: 2019
Note: The research was granted by the Research Council of Lithuania, project no. MIP-065/2015
Keywords: Dujų chromatografija - masių spektrometrija;Eteriniai aliejai;Segmentavimo medis;Chemometrija;Priešvirusinės medžiagos;Gas chromatography-mass spectrometry;Essential oils;Segmentation tree;Chemometrics;Antivirals
Abstract: The methodology described in this article will significantly reduce the time required for understanding the relations between chromatographic data and bioactivity assays. The methodology is a hybrid of hypothesis-based and datadriven scientific approaches. In this work, a novel chromatographic data segmentation method is proposed, which demonstrates the capability of finding what volatile substances are responsible for antiviral and cytotoxic effects in the medicinal plant extracts. Up until now, the full potential of the separation methods has not been exploited in the life sciences. This was due to the lack of data ordering methods capable of adequately preparing the chromatographic information. Furthermore, the data analysis methods suffer from multidimensionality, requiring a large number of investigated data points. A new method is described for processing any chromatographic information into a vector. The obtained vectors of highly complex and different origin samples can be compared mathematically. The proposed method, efficient with relatively small sized data sets, does not suffer from multidimensionality. In this novel analytical approach, the samples did not need fractionation and purification, which is typically used in hypothesis-based scientific research. All investigations were performed using crude extracts possessing hundreds of phyto-substances. The antiviral properties of medicinal plant extracts were investigated using gas chromatography−mass spectrometry, antiviral tests, and proposed data analysis methods. The findings suggested that (i) β-cis-caryophyllene, linalool, and eucalyptol possess antiviral activity, while (ii) thujones do not, and (iii) α-thujone, β-thujone, cis-p-menthan-3-one, and estragole show cytotoxic effects
Affiliation(s): Instrumentinės analizės APC
Lietuvos sveikatos mokslų universitetas. Veterinarijos akademija
Sistemų analizės katedra
Vaistinių ir prieskon. augalų moks. sek.
Vytauto Didžiojo universitetas
Appears in Collections:Universiteto mokslo publikacijos / University Research Publications

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