Milica G. A?imovi?, Mirjana T. Cvetkovi?, Jovana M. Stankovi? Jeremi?, Lato L. Pezo, Ana O. Varga, Ivana S. ?abarkapa, Biljana Kiprovski
{"title":"Biological activity and profiling of Salvia sclarea essential oil obtained by steam and hydrodistillation extraction methods via chemometrics tools","authors":"Milica G. A?imovi?, Mirjana T. Cvetkovi?, Jovana M. Stankovi? Jeremi?, Lato L. Pezo, Ana O. Varga, Ivana S. ?abarkapa, Biljana Kiprovski","doi":"10.1002/ffj.3684","DOIUrl":null,"url":null,"abstract":"<p><i>Salvia sclarea</i> L. or clary sage is cultivated worldwide in temperate and sub-tropical climates, as an ornamental and essential oil (EO) bearing plant. EO is obtained from fresh spikes in full flowering stage and is recognized as an important commercial product for food, beverage and cosmetic industries. This study investigated the EO composition of <i>S. sclarea</i> grown in Serbia (Southeast Europe) obtained by two different methods, steam (SD) and hydrodistillation (HD). GC-MS analysis identified oxygenated monoterpenes as the main class of compounds for all EOs (between 81.8% and 88.2% depending on the distillation process). The most abundant oxygenated monoterpenes were linalyl acetate and linalool. In addition, in vitro antimicrobial (modified resazurin microtitre-plate assay) and antioxidant activities (DPPH<sup>·</sup> assay) and total polyphenol content of obtained EOs were also evaluated. According to the assay used for the evaluation of the antibacterial activity, Gram-negative bacteria were more sensitive to <i>S. sclarea</i> EO in comparison to Gram-positive bacteria. EOs exhibited low antioxidant capacity, below 3% neutralized DPPH<sup>·</sup> radicals, reaching up to approximately 400 µg AAE mL<sup>-1</sup>. This study also investigated a possibility for predicting retention indices (RIs) of compounds isolated from EOs. In total, 78 experimentally obtained RIs were applied to construct the prediction model. The quantitative structure-chromatographic retention relationship (QSRR) model was used to anticipate the experimentally obtained RIs. Five molecular descriptors were selected by factor analysis and genetic algorithm to predict RIs. The obtained accuracy of the QSRR model reached <i>r</i><sup>2</sup> = .912, which showed that these models might be applied for predicting retention indices.</p>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":null,"pages":null},"PeriodicalIF":2.1000,"publicationDate":"2021-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"15","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Flavour and Fragrance Journal","FirstCategoryId":"97","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/ffj.3684","RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, APPLIED","Score":null,"Total":0}
引用次数: 15
Abstract
Salvia sclarea L. or clary sage is cultivated worldwide in temperate and sub-tropical climates, as an ornamental and essential oil (EO) bearing plant. EO is obtained from fresh spikes in full flowering stage and is recognized as an important commercial product for food, beverage and cosmetic industries. This study investigated the EO composition of S. sclarea grown in Serbia (Southeast Europe) obtained by two different methods, steam (SD) and hydrodistillation (HD). GC-MS analysis identified oxygenated monoterpenes as the main class of compounds for all EOs (between 81.8% and 88.2% depending on the distillation process). The most abundant oxygenated monoterpenes were linalyl acetate and linalool. In addition, in vitro antimicrobial (modified resazurin microtitre-plate assay) and antioxidant activities (DPPH· assay) and total polyphenol content of obtained EOs were also evaluated. According to the assay used for the evaluation of the antibacterial activity, Gram-negative bacteria were more sensitive to S. sclarea EO in comparison to Gram-positive bacteria. EOs exhibited low antioxidant capacity, below 3% neutralized DPPH· radicals, reaching up to approximately 400 µg AAE mL-1. This study also investigated a possibility for predicting retention indices (RIs) of compounds isolated from EOs. In total, 78 experimentally obtained RIs were applied to construct the prediction model. The quantitative structure-chromatographic retention relationship (QSRR) model was used to anticipate the experimentally obtained RIs. Five molecular descriptors were selected by factor analysis and genetic algorithm to predict RIs. The obtained accuracy of the QSRR model reached r2 = .912, which showed that these models might be applied for predicting retention indices.
期刊介绍:
Flavour and Fragrance Journal publishes original research articles, reviews and special reports on all aspects of flavour and fragrance. Its high scientific standards and international character is ensured by a strict refereeing system and an editorial team representing the multidisciplinary expertise of our field of research. Because analysis is the matter of many submissions and supports the data used in many other domains, a special attention is placed on the quality of analytical techniques. All natural or synthetic products eliciting or influencing a sensory stimulus related to gustation or olfaction are eligible for publication in the Journal. Eligible as well are the techniques related to their preparation, characterization and safety. This notably involves analytical and sensory analysis, physical chemistry, modeling, microbiology – antimicrobial properties, biology, chemosensory perception and legislation.
The overall aim is to produce a journal of the highest quality which provides a scientific forum for academia as well as for industry on all aspects of flavors, fragrances and related materials, and which is valued by readers and contributors alike.