Browsing by Subject "statistical analysis"
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(2021)In this thesis the suitability of Nuclear Magnetic Resonance (NMR) spectroscopy in the identification of rubbers in museum collections is discussed through a literature review and experimental work where samples from the rubber collection of Tampere Museums were analysed with different NMR techniques. The literature part of this thesis focuses on recent (2011-2020) scientific publications on analytical instrumental techniques used in the identification of cultural heritage plastics. Vibrational spectroscopy methods utilizing hand-held or portable devices have been the most prominent methods used in characterization of historical plastics materials. Bench-top devices and analytical techniques requiring sampling were used to acquire more detailed analysis results. However, NMR spectroscopy was not used as the main analysis technique in the reviewed publications. In the experimental part altogether 21 rubber object samples and 8 reference samples were identified using 1D and 2D NMR techniques in solution state. Three samples were additionally analysed with solid-state High Resolution Magic Angle Spinning (HRMAS) NMR spectroscopy. The chemical structures of the samples were confirmed with these methods. To further explore fast and more automated identification of the rubber samples a statistical classification model utilizing acquired solution-state 1H NMR data was developed. Three rubber types were chosen for the analysis. The model was created using analysis data from the museum object samples and validated using the reference sample data. Identification rate of 100 % was achieved.
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(2019)Lipidomics is a quickly growing trend in metabolomics research: not only seen as passive cell membrane building blocks, lipids contribute actively to cell signaling and identification, thus seen as potential biomarkers (e.g. for early stage cancer diagnostics). The literature part includes a review of 63 articles on UHPLC/MS-methods in the time frame of 2017-05/2019. The following literature is focused especially on glycerophospholipids (GPs). In addition, an overview to basic glycerolipids (GLs) and sphingolipids (SPs) is established, which evidently affects the emphasis and narration of lipid class representations in this review. Chromatographic methods in lipidomics are used to achieve either very selective or all-encompassing analyses for lipid classes. Since HPLC/MS is an insufficient method for fully encompassing low-abundance lipids, UHPLC/MS was mostly used for metabolic profiling where its large analyte range due to high sensitivity, separation efficiency and resolution excels in performance compared to other methods. Imaging techniques have further diverted towards DIMS and other novel non-chromatographic methods, e.g. Raman techniques with single cell resolution. The field of mass-spectral lipidomics is divided between studies using isotope-labeled standards or fully standardless algorithm-based analyses, furthermore, machine learning and statistical analysis has increased. The experimental part focused on LC-IMS-MS and plasma-based in-house database method development for targeted analysis of ascites. Method development included optimization of the chromatography, adduct species selection and data-independent/-dependent fragmentation. Totally, 130 potential species from the LIPID MAPS database were used for the identification at the minimum score of 79% for identification in the Qualitative Workflows with retention times (RTs) and Mass Profiler-program with collision cross-sections (CCSs). Plasma sample analyses resulted in the documentation of 70 RTs and 36 CCS values. Two lipid extraction methods (Folch and BUME) with pre-sampling surrogates and post-sampling internal standards were compared with each other. The process resulted in confirming the BUME method in lipidomics to be superior in ecology-, workload-, health- and extraction-related properties. The lipidome of ascites has rarely been studied due to its availability only in diseased patients. Also, limiting factors for these studies are the logistics to realise such a representative analysis.
Now showing items 1-2 of 2