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, and after it the principal component analysis (PCA) method ( Wold et al., 1987 ; Martens and Næs, 1991 ), the cluster analysis (CA) method ( Heise and Winzen, 2002 ), and the polar qualification system (PQS) method ( Kaffka and Seregély, 2002 ) were
Abstract
The aim of this work was to study the thermal decomposition of different plant species obtained from energy plantations. Thermogravimetry/ mass spectrometry (TG/MS) experiments have been performed with two herbaceous crops (Miscanthus sinensis, pelletized energy grass) and two wood samples (willow, water locust) in inert and oxidative atmospheres. Owing to the large number of data obtained in the experiments, a chemometric tool, principal component analysis (PCA) has been used to help the interpretation of the results. It has been found that the thermal decomposition of the studied wood species is similar, whereas that of the studied herbaceous samples exhibits significant differences. PCA has been found to be useful for finding correlations between the various experimental data.
Thermal decomposition of methylxanthines
Interpretation of the results by PCA
Abstract
The thermal decomposition of theophylline, theobromine, caffeine, diprophylline and aminophylline were evaluated by calorimetrical, thermoanalytical and computational methods. Calorimetrical studies have been performed with aid of a heat flux Mettler Toledo DSC system. 10 mg samples were encapsulated in a 40 μL flat-bottomed aluminium pans. Measurements in the temperature range form 20 to 400°C were carried out at a heating rate of 10 and 20°C min−1 under an air stream. It has been established that the values of melting points, heat of transitions and enthalpy for methylxanthines under study varied with the increasing of heating rate. Thermoanalytical studies have been followed by using of a derivatograph. 50, 100 and 200 mg samples of the studied compounds were heated in a static air atmosphere at a heating rate of 3, 5, 10 and 15°C min−1 up to the final temperature of 800°C. By DTA, TG and DTG methods the influence of heating rate and sample size on thermal destruction of the studied methylxanthines has been determined. For chemometric evaluation of thermoanalytical results the principal component analysis (PCA) was applied. This method revealed that first of all the heating rate influences on the results of thermal decomposition. The most advantageous results can be obtained taking into account sample masses and heating rates located in the central part of the two-dimensional PCA graph. As a result, similar data could be obtained for 100 mg samples heated at 10°C·min−1 and for 200 mg samples heated at 5°C min−1.
Abstract
The studies on the concentration of total nitrogen, phosphorus, sulphur, chlorine, iodine and boron as well as on the thermal decomposition of commercial raw plant materials used in medicine were performed. The 50 independent samples of herbs originating from 25 medicinal plant species collected in 1986–92 were analysed. The content of non-metallic elements was determined spectrophotometrically after previous mineralization of plant sample. The thermal decomposition was performed using the derivatograph with the application of 100 mg samples and heating rate of 5C min−1. In order to obtain more clear classification of the analysed plant materials principal component analysis (PCA) was applied. Interpretation of PCA results for two databases (non-metals and thermoanalytical data sets) allows to state, that samples of herbs from the same plant species in majority of cases are characterized by similar elemental composition and similar course of their thermal decomposition. In this way the differences in general chemical composition of medicinal plants raw materials can be determined.
Abstract
Compound-specific isotope analysis (CSIA) is fast becoming an important tool to provide chemical evidence in a forensic investigation. Attempts to trace environmental oil spills were successful where isotopic values were particularly distinct. However, difficulties arise when a large dataset is analyzed and the isotopic differences between samples are subtle. Thus, this study intends to demonstrate any linkages between diesel fuels in a large number of datasets where subtlety in the isotopic values is accentuated by the near single-point source of origin. Diesel fuels were obtained from various locations in the South Island of New Zealand. Aliquots of these samples were diluted with n-pentane and subsequently analyzed with gas chromatography-isotope ratio mass spectrometry (GC-IRMS) for carbon and hydrogen isotope values. The data obtained were subjected to principal component analysis (PCA) and hierarchical clustering. A wide range of δ13C and δ2H values were determined for the ubiquitous alkane compounds (the greatest values being −4.5‰ and −40‰, respectively). Based on the isotopic character of the alkanes it is suggested that diesel fuels from different locations were distinguishable and that the key components in the differentiation are the δ2H values of the shorter chain-length alkanes. However, while the stable isotope measurements may provide information to classify a sample at a broad scale, much more detailed information is required on the temporal and spatial variability of diesel compositions. The subtle differences of the stable isotope values within the alkanes of different diesel fuels highlighted the power of CSIA as a means of differentiating petroleum products of different origins, even more so when two or more stable isotopes data are combined. This paper shows that CSIA when used in tandem with multivariate statistical methods can provide suitable tools for source apportionment of hydrocarbons by demonstrating a straightforward approach, thus eliminating lengthy analytical processes.
Abstract
Studies on the thermal decomposition of commercial raw plant materials used in medicine were performed. 144 independent samples of plant materials — herbs, leaves,flowers, inflorescences, fruits, roots, rhizomes and barks, collected by Medicinal Plant Works‘Herbapol’, were analyzed. Thermal decomposition was performed using OD-103 Derivatograph. As a result of analysis, it was established, that thermal decomposition of majority of samples proceeds through three stages. The analysis of fruits revealed, that their thermal decomposition proceeds in four stages. In order to obtain a more clear classification of the analyzed plant materials principal component analysis (PCA) was applied. Interpretation of the PCA results allows to state, that samples of raw materials from the same plant species in majority of cases are characterized by similar course of thermal decomposition due to similar chemical composition. In this way the differences in general chemical composition of medicinal plants raw materials can be determined.
the other indices (see text) Finally, Principal Component Analysis (PCA) was also performed collecting together all the data of the four data sets. Then, the analyzed data matrix is constituted by 47 authors
Kadmiumstressz detektálására alkalmazható in situ és destruktív mérési módszerek összehasonlító vizsgálata búzán
Comparative study of in situ and destructive measurements for indication of cadmium stress on wheat
The effects of cadmium (Cd) stress and arbuscular mycorrhizal fungus (AMF) inoculation were investigated in wheat [Triticum aestivum L. cv. TC-33] under controlled conditions. The experiments aimed to reveal what stress responses belong to the different levels of Cd load in the growth medium (0; 1; 2,5 and 5 mg Cd kg- 1 substrate). To detect the effect of Cd stress, we compared plant physiological and growth indicators measured with both in situ and destructive methods. Electrical capacitance (CR) was evaluated during the experiments as a method to indicate stress responses through of Cd-induced root system changes.
During the growth period, the photosynthetic activity (Fv/Fm), the chlorophyll content index (CCI) of the leaves, and the CR of the root-soil system were monitored in situ. After harvest, the membrane stability index (MSI), the cadmium and phosphorus concentrations of the plants, the root dry mass (RDM), the shoot dry mass (SDM) and the leaf area (LA) were measured. The root colonization of AM fungi was estimated by microscopic examination. Data matrices were evaluated with principal component analysis (PCA) which had been proved to be a good statistical method to the sensitivity between measurement methods.
Taking all parameters into account in the PCA, a complete separation was found between the contaminated and non-contaminated variants along the main component PC1. The measured values of the Cd1 treatment sometimes overlapped with that of control plants, but differed from that of the Cd2 and Cd3 doses. The parameters well reflected that AMF inoculation alleviated the stress caused by Cd. PCA shows a visible effect of AM, but the separation between mycorrhizal and non-mycorrhizal plants is weaker than that between Cd contaminated and non-treated ones. The Cd stress significantly decreased the Fv/Fm, CCI, CR, SDM, RDM and LA. The CR and growth parameters proved to be the best indicators to characterize the Cd phytotoxicity in the TC-33 wheat cultivar.
shells preparations. The chemical fingerprints of Moringa seed shells from various regions were established and investigated by similarity analysis (SA), principal component analysis (PCA) and hierarchical clustering analysis (HCA). The combination of
solid dosage forms, in the evaluation of properties of pharmaceutical powders and tablet [ 30 – 32 ]. Principal component analysis (PCA) is a simple method for receipting relevant information from multivariate data sets, identifying trends and clusters
