Sökning: "PCA"

Visar resultat 6 - 10 av 229 avhandlingar innehållade ordet PCA.

  1. 6. Managing and Exploring Large Data Sets Generated by Liquid Separation - Mass Spectrometry

    Författare :Daniel Bäckström; Per Sjöberg; Rolf Danielsson; Thomas Moritz; Uppsala universitet; []
    Nyckelord :Analytical chemistry; liquid chromatography; capillary electrophoresis; capillary electrochromatography; mass spectrometry; electro spray ionization; chemometrics; multivariate data analysis; peptide; biomarkers; fingerprints; PCA; alignment; data compression; ANOVA; target correlation; data management; Analytisk kemi;

    Sammanfattning : A trend in natural science and especially in analytical chemistry is the increasing need for analysis of a large number of complex samples with low analyte concentrations. Biological samples (urine, blood, plasma, cerebral spinal fluid, tissue etc. LÄS MER

  3. 7. Multivariate design of molecular docking experiments : An investigation of protein-ligand interactions

    Författare :David Andersson; Anna Linusson Jonsson; Gabriele Cruciani; Umeå universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Molecular docking; chemometrics; multivariate analysis; principal component analysis; PCA; design of experiments; DoE; partial least-square projections to latent structures; PLS; scoring functions; ligand-binding cavity; major histocompatibility complex; MHC; glycopeptide; T-cell.; Pharmaceutical chemistry; Läkemedelskemi; datorlingvistik; computational linguistics;

    Sammanfattning : To be able to make informed descicions regarding the research of new drug molecules (ligands), it is crucial to have access to information regarding the chemical interaction between the drug and its biological target (protein). Computer-based methods have a given role in drug research today and, by using methods such as molecular docking, it is possible to investigate the way in which ligands and proteins interact. LÄS MER

  4. 8. Process analytical methods for monitoring of the film coating on pharmaceutical pellets and tablets using NIR spectrometry and image analysis

    Författare :Martin Andersson; Centrum för analys och syntes; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; PLS; PCA; PAC; NIR; chemometrics; moving samples; information depth; release rate; image analysis; near infrared; process analytical chemistry; thickness; coating; film; tablets; Pellets; granules; Analytical chemistry; Analytisk kemi;

    Sammanfattning : Pharmaceutical tablets and pellets are often covered with a coating. There is a need for methods that enable monitoring of the growth of such films during processing. Such analyses can be performed using process analytical chemical methods based on near infrared (NIR) diffuse reflectance spectrometry. It provides with analyses that take only ca. LÄS MER

  5. 9. Chemometric and signal processing methods for real time monitoring and modeling : applications in the pulp and paper industry

    Författare :Anders Björk; Lars-Göran Danielsson; Guy Dumont; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Acoustic; Vibration; Multivariate; Chemometrics; PLS; OSC; PCA; FFT; Wavelets; WT-MRS; CWT-FLE; Pulp Quality; CSF; Brightness; Tensile Strength properties; Optical Properties; Measurement Technology; On-line; Non-invasive; Process Control; Process Analysis; Process Analytical Technology; PAT.; Akustik; Vibrationer; Multivariat; Kemometri; PLS; OSC; PCA; FFT; Wavelets; WT-MRS; CWT-FLE; Massakvalitet; CSF; Ljushet; Dragstyrkeegenskaper; Optiska egenskaper; Mätteknik; On-line; Icke berörande mätning; Processtyrning; Processanalys; Processanalytisk Teknologi; PAT.; Analytical chemistry; Analytisk kemi;

    Sammanfattning : In the production of paper, the quality of the pulp is an important factor both for the productivity and for the final quality. Reliable real-time measurements of pulp quality are therefore needed. LÄS MER

  7. 10. Multivariate spectroscopic methods for the analysis of solutions

    Författare :Kent Wiberg; Sven Jacobsson; Lars Nørgaard; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Chemometrics; UV-Vis spectroscopy; Multivariate calibration; Lidocaine; Identity; Content; PLS; SIMCA; Non-column; Diode array UV spectroscopy; DAD; Control sample; High Capacity Analysis HCA ; Fluorescence spectroscopy; Albumin; Immunoglobulin G; HPLC-DAD; Prilocaine; Peak purity determination; PCA; PARAFAC; Partial separation; Curve resolution; Analytical chemistry; Analytisk kemi;

    Sammanfattning : In this thesis some multivariate spectroscopic methods for the analysis of solutions are proposed. Spectroscopy and multivariate data analysis form a powerful combination for obtaining both quantitative and qualitative information and it is shown how spectroscopic techniques in combination with chemometric data evaluation can be used to obtain rapid, simple and efficient analytical methods. LÄS MER