Sökning: "analytical modeling"

Visar resultat 1 - 5 av 224 avhandlingar innehållade orden analytical modeling.

  1. 1. Analysis of Metabolites in Complex Biological Samples Using LC/MS and Multivariate Data Analysis : Metabolic Fingerprinting and Detection of Biomarkers

    Författare :Helena Idborg; Sven Jacobsson; Per-Olof Edlund; Jonas Bergquist; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Metabolomics; Metabonomics; Metabolic Fingerprinting; Drug Metabolism; Biomarkers; Human Plasma; Rat Urine; LC MS; ZIC-HILIC; UPLC; UHPLC; ToF; Curve Resolution; Peak Detection; Pattern Recognition; Classification; PCA; PLS; PARAFAC; N-PLS; Data Fusion; Hierarchical Modeling; Batch modeling; Data Concatenation; Breast Cancer; Phospholipidosis; Analytical chemistry; Analytisk kemi; Analytical Chemistry; analytisk kemi;

    Sammanfattning : To facilitate early diagnosis of diseases and elucidation of the processes involved in their development and progression, various specific compounds or ‘biomarkers’ are often monitored. The first step is to decide which compounds to analyze. LÄS MER

  3. 2. Modeling adsorption of organic compounds on activated carbon : a multivariate approach

    Författare :Jufang Wu; Anders Cedergren; Ingrid Fängmark; Ola Claesson; Lars-Gunnar Hammarström; Fritz Stoeckli; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Analytical chemistry; activated carbon; adsorption; adsorption capacity; adsorption rate; PCA; PLS; binary mixtures; Dubinin-Radushkevich; Wheeler-Jonas; Analytisk kemi; Analytical chemistry; Analytisk kemi; analytisk kemi; Analytical Chemistry;

    Sammanfattning : Activated carbon is an adsorbent that is commonly used for removing organic contaminants from air due to its abundant pores and large internal surface area. This thesis is concerned with the static adsorption capacity and adsorption kinetics for single and binary organic compounds on different types of activated carbon. LÄS MER

  4. 3. Representation of Molecules and Molecular Systems in Data Analysis and Modeling

    Författare :Egon Willighagen; Lutgarde Buydens; Peter Murray-Rust; Radboud University Nijmegen; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; cheminformatics; chemoinformatics; chemometrics; pls; som; crystallography; qsar; blue obelisk; Analytical chemistry; Analytisk kemi; Kemi; Chemistry; Kemi med inriktning mot analytisk kemi; Chemistry with specialization in Analytical Chemistry;

    Sammanfattning : .... LÄS MER

  5. 4. Determination of mercury chemical speciation in the presence of low molecular mass thiols and its importance for mercury methylation

    Författare :Van Liem-Nguyen; Erik Björn; Ulf Skyllberg; Cynthia Gilmour; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Mercury; methylmercury; LMM thiol; mass spectrometry; biogeochemistry; soil; sediment; ICP; WinSGW; modeling; S XANES; ligand exchange; stability constant; boreal wetlands; analytisk kemi; Analytical Chemistry; Environmental Science; miljövetenskap;

    Sammanfattning : Methylmercury (MeHg) is a neurotoxic compound that threatens the well-being of humans and wildlife. It is formed through the methylation of inorganic mercury (HgII) under suboxic/anoxic conditions in soils, sediment and waters. LÄS MER

  7. 5. PDEModelica – A High-Level Language for Modeling with Partial Differential Equations

    Författare :Levon Saldamli; Peter Fritzson; Bernhard Bachmann; Francesco di Casella; Linköpings universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; mathematical modeling; PDEModelica; Modelica; object-oriented modeling; equation-based modeling; declarative modeling; high-level modeling languages; mathematical modeling languages; Computer science; Datavetenskap;

    Sammanfattning : This thesis describes work on a new high-level mathematical modeling language and framework called PDEModelica for modeling with partial differential equations. It is an extension to the current Modelica modeling language for object-oriented, equation-based modeling based on differential and algebraic equations. LÄS MER