Search for dissertations about: "in silico"

Showing result 1 - 5 of 199 swedish dissertations containing the words in silico.

  2. 1. In silico tools in risk assessment : of industrial chemicals in general and non-dioxin-like PCBs in particular

    Author : Mia Stenberg; Patrik Andersson; Miriam Jacobs; Umeå universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Chemometrics; industrial chemicals; in silico tools; molecular descriptors; non-dioxin-like PCBs; partial least-squares PLS ; principal component analysis PCA ; quantitative structure-activity relationship QSAR ; REACH; risk assessment RA ; statistical molecular design; structure-activity relationship SAR ;

    Abstract : Industrial chemicals in European Union produced or imported in volumes above 1 tonne annually, necessitate a registration within REACH. A common problem, concerning these chemicals, is deficient information and lack of data for assessing the hazards posed to human health and the environment. READ MORE

  4. 2. Development of Methods for Assessing Unbound Drug Exposure in the Brain : In vivo, in vitro and in silico

    Author : Markus Fridén; Margareta Hammarlund-Udenaes; Ulf Bredberg; Yuichi Sugiyama; Uppsala universitet; []
    Keywords : MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Blood-brain barrier; Drug transport; Tissue distribution; Transporters; Pharmacokinetics; Other pharmacy; Övrig farmaci; Biopharmacy; Biofarmaci; Pharmaceutical pharmacology; Farmaceutisk farmakologi; Pharmacokinetics and Drug Therapy; Farmakokinetik och läkemedelsterapi;

    Abstract : The blood-brain barrier is formed by tightly joined capillary cells with transporter proteins and acts as to regulate the brain concentration of nutrients as well as many drugs. When developing central nervous system drugs it is necessary to measure the unbound drug concentration in the brain, i.e. the unbound brain exposure. READ MORE

  5. 3. Investigation and Prediction of Small Intestinal Precipitation of Poorly Soluble Drugs : a Study Involving in silico, in vitro and in vivo Assessment

    Author : Sara Carlert; Hans Lennernäs; Bertil Abrahamsson; Patrick Augustijns; Uppsala universitet; []
    Keywords : MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; gastrointestinal precipitation; crystallization; crystal nucleation; crystal growth; classical nucleation theory; poorly soluble drugs; drug absorption; biopharmaceutics classification system; in vitro in vivo correlations IVIVC ; in silico prediction; human intestinal fluid; dog intestinal fluid; simulated intestinal fluid; Biofarmaci; Biopharmaceutics;

    Abstract : The main objectives of the present project were to increase the understanding of small intestinal precipitation of poorly soluble pharmaceutical drugs, investigate occurrence of crystalline small intestinal precipitation and effects of precipitation on absorption. The aim was to create and evaluate methods of predicting crystalline small intestinal drug precipitation using in vivo, in vitro and in silico models. READ MORE

  6. 4. Development of in silico methods to aid chemical risk assessment : focusing on kinetic interactions in mixtures

    Author : Elena Golosovskaia; Patrik L. Andersson; Stefan Örn; Patrik Rydén; Ester Papa; Umeå universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; QSAR; physiologically based kinetic; PBK; zebrafish; ADME; mixture; bisphenols; PFAS; toxicokinetics; environmental science; miljövetenskap; Toxicology; toxikologi;

    Abstract : The environment and biota are constantly exposed to numerous chemicals through contaminated food, soil, water, and air. These chemicals can be taken up and distributed to reach sensitive tissues where they may cause various effects. Many of these chemicals lack data on their environmental and human health effects. READ MORE

  7. 5. On striatum in silico

    Author : Johanna Frost Nylén; Karolinska Institutet; Karolinska Institutet; []
    Keywords : ;

    Abstract : The basal ganglia are a collection of subcortical nuclei involved in movement and action selection. The striatum is the main input nucleus with extensive projections from the cortex and thalamus, and dopaminergic projections from SNc and VTA. READ MORE