Sökning: "chemometrics"

Visar resultat 1 - 5 av 44 avhandlingar innehållade ordet chemometrics.

  1. 1. Variance Reduction in Analytical Chemistry : New Numerical Methods in Chemometrics and Molecular Simulation

    Författare :K. Magnus Åberg; Sven P. Jacobsson; Richard G. Brereton; Stockholms universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; chemometrics; pulse-coupled neural networks; peak alignment; class separability; molecular dynamics; Monte Carlo; expanded ensembles; free energy; Analytical chemistry; Analytisk kemi;

    Sammanfattning : This thesis is based on five papers addressing variance reduction in different ways. The papers have in common that they all present new numerical methods. LÄS MER

  2. 2. Aspects of Optimisation of Separation of Drugs by Chemometrics

    Författare :Valérie Harang; Douglas Westerlund; Sven P. Jacobsson; Bo Karlberg; Uppsala universitet; []
    Nyckelord :MEDICAL AND HEALTH SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Pharmaceutical chemistry; optimisation; separation; chemometrics; high performance liquid chromatography; electrodriven techniques; microemulsion electrokinetic chromatography; statistical experimental design; molecular modelling; chiral separation; cellobiohydrolase; Farmaceutisk kemi; Pharmaceutical chemistry; Farmaceutisk kemi;

    Sammanfattning : Statistical experimental designs have been used for method development and optimisation of separation. Two reversed phase HPLC methods were optimised. LÄS MER

  3. 3. Advances in Separation Science : . Molecular Imprinting: Development of Spherical Beads and Optimization of the Formulation by Chemometrics

    Författare :Henrik Kempe; Anders Colmsjö; Ulrika Nilsson; Jan Åke Jönsson; Stockholms universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Chromatography; Parameter estimation; Diffusion; Molecularly imprinted polymer; Suspension polymerization; Chemometrics; Analytical chemistry; Analytisk kemi;

    Sammanfattning : An intrinsic mathematical model for simulation of fixed bed chromatography was demonstrated and compared to more simplified models. The former model was shown to describe variations in the physical, kinetic, and operating parameters better than the latter ones. LÄS MER

  4. 4. Methods for structural studies of an antibody, screening metabolites in rat urine and analysis of spent cell cultivation media using LC/ESI-MS and chemometrics

    Författare :Leila Zamani; Sven P. Jacobsson; Jonas Bergqvist; Stockholms universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Screening; Fingerprinting; metabolomics; Protein drugs; Mammalian Cell lines; LC ESI-MS; chemometrics; Analytical chemistry; Analytisk kemi; Analytical Chemistry; analytisk kemi;

    Sammanfattning : This thesis describes bioanalytical methods for generating fingerprints of biological systems for extracting relevant information with (protein) drugs in focus. Similarities and differences between samples can reveal the hidden relevant information, which can be used to optimize the production and facilitate the quality control of such protein drugs during their development and manufacture. LÄS MER

  5. 5. Metabolomics studies of ALS : a multivariate search for clues about a devastating disease

    Författare :Anna Wuolikainen; Peter M Andersen; Henrik Antti; Stefan L Marklund; Thomas Moritz; Thomas Hankemeier; Umeå universitet; []
    Nyckelord :MEDICAL AND HEALTH SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Amyotrophic lateral sclerosis ALS ; motor neuron disease; Lou Gehrig’s disease; human disease; CSF; biomarkers; metabolomics; metabonomics; chemometrics; design of experiments; multivariate analysis.; Neurology; Neurologi; Neurology; neurologi;

    Sammanfattning : Amyotrophic lateral sclerosis (ALS), also known as Charcot’s disease, motor neuron disease (MND) and Lou Gehrig’s disease, is a deadly, adult-onset neurodegenerative disorder characterized by progressive loss of upper and lower motor neurons, resulting in evolving paresis of the linked muscles. ALS is defined by classical features of the disease, but may present as a wide spectrum of phenotypes. LÄS MER