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Title: Chemometrics study and spectral database development of pharmaceuticals and herbal products : Malaysian perspective
Author: Said, Mazlina Mohd
Awarding Body: School of Pharmacy (University of London)
Current Institution: University College London (University of London)
Date of Award: 2012
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Abstract:
The issues for drug qualities, distribution of counterfeit and adulterated medicines in the market are not rare globally and rather common in a developing country like Malaysia. Despite stringent legislation and monitoring by the government, the problems still exist and the number of cases kept on increasing each year. This research aimed to design and proposed a strategy that can be used to overcome these problems. A combination of near infrared (NIR), mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectral databases and chemometrics analyses of their spectroscopic fingerprints for product was used for the comparison and classification of samples. A customized spectral database was created and experimental strategy was designed to use this database as a potential tool for a quick screening of product identification and classifications. A direct comparison between different products and their classification without the use of a reference standard was demonstrated. Further analysis by NMR and MS was employed to distinguish similar or ambiguous results. In general, this thesis can be divided into two parts. In the first part, spectral analysis using different techniques were discussed and graphical presentations on these spectra in the database were shown using chemometric analysis. Principal component Analysis (PCA) and soft independent modeling of class analogy (SIMCA) were the main chemometric tools used throughout the research. Details on the development of spectra database were also discussed in this part. This was including the database construction and search methods as well as the determination of the best search algorithms and cut-off values for the most accurate search outcome. The uses of the proposed strategy were demonstrated in the second part. Four main areas discussed including identification of unknown spectra, drug quality study, herbal product analysis and spectroscopic analysis of adulterated and counterfeit samples. The outcomes of this thesis is hoped to be the stepping-stone for further researches on qualitative and quantitative analysis of local pharmaceuticals in Malaysian's Universities. Other than that, the presence of drugs spectral database in particular, means to initiates and assists in quality drug surveillance nation-wide.
Supervisor: Not available Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID: uk.bl.ethos.550960  DOI: Not available
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