PubMed · 136179
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I Gregorová. 1976. Dehydroepiandrosterone estimation.. https://pubmed.ncbi.nlm.nih.gov/136179/
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A novel approach to the study of quantitative relationships between chromatographic parameters and the chemical structure is introduced. It is based on the computation of the spectral moments of the topological bond matrix by using different weights as diagonal entries of this matrix. The main advantage of the present approach is that the quantitative contributions of the structural fragments of molecules to the chromatographic parameters studied can be obtained explicitly. By using this approach we study two data sets: one composed of 156 alkanes and the other of 81 oxygen-containing organic molecules. In both cases excellent quantitative structure-chromatographic retention relationships were obtained. The contributions of the different fragments to the chromatographic retention were generated obtaining tables of additive contributions to the properties studied. The physicochemical interpretation of the results on the basis of the retention mechanisms is also analyzed in light of this new approach.
In this brief review the analytical techniques mainly used for comparative analysis of both cocaine and heroin seizures are reported. The characterization of illicit samples is carried out by means of a variety of techniques including thin-layer chromatography, high-performance liquid chromatography, gas chromatography and capillary electrophoresis. By means of these technique it is possible to resolve some component in illicit drugs and their application for comparative analyses is described in this review. Owing to the complexity and the variability of the mixture related to the origin and manufacturing impurities a unique analytical approach based on the application of a single technique it is not sufficient to achieve the requested global characterization of the sample for comparative purposes. Generally a complete characterization is obtained focusing on the identification of minor and major components, origin and manufacturing impurities other than trace compounds such as solvent residues. Nevertheless the application of a single robust methods able to resolve any possible significant marker compounds, is still not described and there is a need for a standardized general procedure suitable for a complete cross-examination of analytical data related to comparative analyses that can be carried out at an international level.
The introduction of hyphenated chromatographic-spectroscopic techniques represented a substantial step-forward for Systematic Toxicological Analysis (STA), increasing the amount and quality of information obtainable from the analysis of a biological sample, and enhancing the possibilities of identifying unknown drugs and poisons. STA methods based either on GC-MS or on HPLC-UV published in the last decade are reviewed in this paper. The different analytical phases, i.e. sample preparation (pretreatment, extraction, derivatisation), chromatographic separation and detection/identification are examined in detail in order to emphasise the complementarity of the two approaches. In addition, the first STA method based on HPLC-MS is illustrated and some applications of TLC-UV to drug screening are also described. Finally, an overview of semi- and fully-automated STA methods is given.