scholarly journals QSRR Study of Linear Retention Indices for Volatile Compounds using Statistical Methods

2018 ◽  
Vol 7 (4) ◽  
2012 ◽  
Vol 7 (7) ◽  
pp. 1934578X1200700 ◽  
Author(s):  
Norma Hussin ◽  
Luigi Mondello ◽  
Rosaria Costa ◽  
Paola Dugo ◽  
Nik Idris Nik Yusoff ◽  
...  

Patchouli essential oil can be obtained from fresh, dried and fermented plant material. It is a highly valuable product in the fragrance industry and its quality changes depending upon raw material age and oil storage. In this work, patchouli essential oils derived from different treatments have been subjected to GC-FID quantitative analysis using an internal standard (ISTD) method with response factors (RF). Samples were obtained from i) fresh plants; ii) hydrodistillation of one year mature and fermented plants; iii) hydrodistillation of one year mature plants; iv) commercial products from Indonesia and Malaysia. Linear Retention Indices (LRI) for both polar and non-polar GC-MS analyses were also measured as a tool for qualitative analysis towards a homologous series of C7-C30 n-alkanes. The results obtained confirmed that, in all samples, patchouli alcohol was the main volatile constituent, with higher amount in lab-scale produced oils, compared with commercial samples. Other major compounds, in lab oils and commercial samples respectively, were: δ-guaiene, α-guaiene, pogostol, seychellene and α-patchoulene. Another 36 compounds were also found.


2007 ◽  
Vol 2 (4) ◽  
pp. 1934578X0700200 ◽  
Author(s):  
Rosaria Costa ◽  
Maria Rosa De Fina ◽  
Maria Rita Valentino ◽  
Paola Dugo ◽  
Luigi Mondello

An innovative tool in GC-MS peak assignment procedures is described. Besides considering the conventional spectra similarity matching, Linear Retention Indices are used as filters for enhancing reliability in compounds identification, especially in those cases ruled by ambiguity and uncertainty. This is a common issue when analyzing natural compounds (e.g. terpenoids) present in flavors, essential oils and fragrances that give rise to similar fragmentation patterns, and thus, to approximately identical spectra, making harder the unequivocal identification by the databases. Some applications of the method and its capabilities are reported.


1987 ◽  
Vol 411 ◽  
pp. 251-257 ◽  
Author(s):  
R. Uehori ◽  
T. Nagata ◽  
K. Kimura ◽  
K. Kudo ◽  
M. Noda

2019 ◽  
pp. 95-101
Author(s):  
Anatoliy Valeriyevich Velikorodov ◽  
Vladimir Nikolayevich Pilipenko ◽  
Tat'yana Alekseyevna Pilipenko ◽  
Sergey Viktorovich Malyi

The chemical composition of Prangos odontalgica (Pall.) Herrnst. et. Heyn essential oil, which grows wild in the Astrakhan region, has not been practically studied, unlike other species of the genus Prangos, growing in Iran, Turkey and Uzbekistan. To obtain the essential oil, all parts of the plant (roots, stems, flowers, leaves, fruits) are used, as well as various methods of isolation (hydrodistillation, supercritical fluid extraction, solid-phase microextraction, and others). Essential oil from the fruit of Prangos odontalgica we obtained by the method of hydrodistillation. The duration of the hydrodistillation process, established experimentally on the basis of a study of the dynamics of change in the yield of essential oil over time, was 3 hours. The yield of essential oil in mass% by volume in terms of absolutely dry raw materials according to the results of a threefold determination is 0.07 ± 0.01%. The method of gas-liquid chromatography carried out a quantitative analysis of the main components of the essential oil Prangos odontalgica. The quantitative content of the components of the essential oil was calculated by the areas of gas chromatographic peaks without the use of correction factors. Qualitative analysis was performed by comparing linear retention indices. In the Prangos odontalgica essential oil, 38 substances were identified (88.4%). It contains sesquiterpenes (31.48%), terpenoids (19.2%), hydrocarbons (15.39%), carboxylic acids and their esters (10.86%), alcohols, phenols (8.84%). Among sesquiterpenes, the predominant components are γ-elemen (9.84%), bisabolol (9.41%), and among terpenoids – trans-nerolidol (3.90%) and linalyl isobutyrate (3.41%).


2017 ◽  
pp. 117-121 ◽  
Author(s):  
Анатолий (Anatolij) Валериевич (Valerievich) Великородов (Velikorodov) ◽  
Владимир (Vladimir) Николаевич (Nikolaevich) Пилипенко (Pilipenko) ◽  
Татьяна (Tat'jana) Алексеевна (Alekseevna) Пилипенко (Pilipenko) ◽  
Алексей (Aleksej) Георгиевич (Georgievich) Тырков (Tyrkov)

Samples of essential oil from Tamarix ramosissima plant growing in the Astrakhan region were obtained by steam distillation and the dependence of its yield on the vegetative period of the plant was studied. The duration of the process of steam distillation was established experimentally on the basis of a study of the dynamics of the change in the yield of essential oil in time. The yield of essential oil was determined in % by weight of absolutely dry raw material. The largest yield of essential oil was obtained from plants in the flowering phase (0,23–0,3%). By method of gas-liquid chromatography carried out a quantitative analysis of the main components of essential oil Tamarix ramosissima. The quantitative content of essential oil components was calculated from the areas of gas chromatography peaks without the use of correction factors. Qualitative analysis was carried out by comparing the linear retention indices. It was found that the composition of the essential oil of Tamarix is very specific. It includes hydrocarbons (9,51%), alcohols (3,46%), aldehydes (2,55%), monoterpene hydrocarbons (5,4%), oxygenated terpenes (23,06%), sesquiterpene hydrocarbons (1,48%), oxygenated diterpenoids (3,37%), and a significant amount of fatty acids and their esters (45,43%). The main components of the essential oil are tetrahydrogeranilacetone (21,35%), nonane (12,63%), decanoic (9,82%) acids and dihydroactin diolide (5,40%).


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