Dissertation > Excellent graduate degree dissertation topics show

Mass Spectral Data-mining for Alcohol and Ether in Mass Database and Application of Matching Algorithms in the Analysis of Complex Chinese Herbal Medicine

Author: ZuoDong
Tutor: LiangYiZeng
School: Central South University
Course: Analytical Chemistry
Keywords: Data Mining Mass spectrometry database Database matching algorithm Traditional Chinese medicine Fingerprinting
CLC: TQ461
Type: Master's thesis
Year: 2004
Downloads: 230
Quote: 1
Read: Download Dissertation

Abstract


Chemistry, instrumentation science and information science makes modern chemistry data accumulated very rapidly, a large number of chemical information and knowledge hidden in these data, effective extract this knowledge, the development of chemical disciplines will have a huge promoting and guiding role of analytical chemistry workers facing a challenge. Starting from the current development status of chemistry, mass database and database retrieval tools to start, trying to establish an effective method to extract chemical information, also described the complex system of traditional Chinese medicine in the mass spectrum of the match at the same time. The paper is divided into three parts: MS library data mining, the retrieval algorithm comparison in the complex system of traditional Chinese medicine and traditional Chinese medicine fingerprints to establish the preliminary exploration. A. Mass spectrometry data mining library (Chapter II): The main purpose of this part of the mass spectrometry database machine learning to achieve some of the structures of unknown compounds or sub-structure prediction. The information in the first section of the sub-structure prediction approach a new attempt, orthogonal block variable using the QSAR / QSPR Institute and the typical the relevant variables ideological used in mass spectrometry classified information extraction, through this special variable selection algorithm greatly improves the the saturated ether substructure classification results provide a reference for the further development of MS classification and discrimination. Section II proposes a new and different ideas of a traditional mass spectrometry categorical variables categorical variables, by mass spectrometry fragmentation information extraction shedding MS fragmentation process to achieve the purpose of classification, saturated ether substructure classification process performance excellent, useful supplement traditional categorical variables. Section III discusses the results of a mass spectrometry library ethers substances Statistics reflect the statistical relationship between the fragment peaks substructure demonstrated the authenticity of some rules, and Bayesian posterior probability calculation. Retrieval algorithms in the hybrid system of traditional Chinese medicine (Chapter 2) Comparative Study: For complex systems such as Chinese medicine, mass spectrometric detection process can often encounter component intermixed. The mass spectrum generated by the hybrid system does not apply to those high purity mass-oriented retrieval algorithm, so the search results are often not credible. The mass spectrometry academics and stoichiometric scholars have put forward a number of algorithms to solve this problem, this chapter some classic The algorithm is applied to the study of the complicated Chinese medicine system, integrated verify the results of the various algorithms match thinking. TCM fingerprint establish preliminary exploration (Chapter IV): Modernization of Traditional Chinese Medicine is heavily dependent on its level of quality control, fingerprint technology is becoming a powerful tool for quality control of natural products in China and the world. This section is commercially available dish in this volatile oil by gas chromatography fingerprint spectra were studied proposed the establishment of the dishes in this volatile chromatographic fingerprints of the experimental conditions, and determining the volatile oil's main ingredient, at the same time containing the characteristic large peak fingerprint spectra, conducted overall and The two-tier local weighted similarity evaluation, has been validated in a dish of the quality control of Radix.

Related Dissertations

  1. Study on Correlation between TCM Syndrome Types and IFN-γ in Patients with Chronic Hepatitis B,R259
  2. Isolated systolic hypertension in patients with cardiac ultrasound characteristics of traditional Chinese medicine dialectical correlation exploration,R544.1
  3. A Study on Healthcare Product Marketing Based on Data Mining Technology,F426.72
  4. Professor Kong Guangyi academic thought Qing Xuan main Treating children cold cough,clinical research and clinical experience,R249.2
  5. Gao Zhong-ying academic thought and experience and use of Bufei Decoction treatment of common diseases of the respiratory system drug law,R249.2
  6. Xu Peng age of academic thought and clinical experience medication regularity of the treatment of chronic gastritis,R249.2
  7. Study on Diagnosis and Treatment of Chronic Cough by Use of "Treating Cough in Terms of Five Viscera" Method of Wang Jusheng Professor,R249.2
  8. Bing- thick academic thought and clinical experience and empirical studies apply to turtle soups treatment of chronic kidney disease,R249.2
  9. Determination of Soil Enzyme Activity and Extraction, Purification and MS Identification of Soil Microbial Total Protein,S154
  10. Identification、Diversity and Phylogenetic Analysis of Antagonistic Bacillus Isolated from Different Chinese Areas,S476.1
  11. The Design and Implementation of Bicluster Data Analyzing Software,TP311.52
  12. Research on Clustering Algorithm Based on Mutation Particle Swarm Optimization,TP18
  13. Research on Fuzzy C-Mean Clustering Algorithm Based on Particle Swarm Optimization and Shuffled Frog Leaping Algorithm,TP18
  14. Research on Clustering Algorithm Based on Genetic Algorithm and Rough Set Theory,TP18
  15. The Clinical Analysis between the TCM Syndromes of Subacute Thyroiditis (Hyperthyroidism Stage),R259
  16. Study on Type 2 Diabetes Associated with the Northwest Dryness Syndrome and Intervention Therapy,R259
  17. Psoriasis vulgaris in different stages and card Hou T lymphocyte subsets,R275.9
  18. Experimental Study of GUI QIN MISTURE on Adriamycin-induced Nephropathy in Rats,R285.5
  19. The Changes of Intestinal Barrier Functional in Rats with SAP and the Effection of QingYi Ⅱ,R657.51
  20. Based on data mining research tax audit case selection,F812.42
  21. Shamisen Medicinal and Edible Herbs on glucose and lipid metabolism in the metabolic syndrome and antioxidant effects,R285.5

CLC: > Industrial Technology > Chemical Industry > Pharmaceutical chemical industry > The Chinese herbal medicine preparations of the production
© 2012 www.DissertationTopic.Net  Mobile