Sökning: "quantitative structure-activity relationship"

Visar resultat 1 - 5 av 22 avhandlingar innehållade orden quantitative structure-activity relationship.

  1. 1. Physico-chemical characteristics and quantitative structure-activity relationships of PCBs

    Författare :Patrik Andersson; Stephen Safe; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; polychlorinated biphenyls; PCBs; physico-chemical properties; statistical design; multivariate; PCA; PLS; biomagnification; BMF; bioassay; CYP1A; SAR; QSAR; REPs; risk assessment; Chemistry; Kemi; Chemistry; Kemi;

    Sammanfattning : The polychlorinated biphenyls (PCBs) comprise a group of 209 congeners varying in the number of chlorine atoms and substitution patterns. These compounds tend to be biomagnified in foodwebs and have been shown to induce an array of effects in exposed organisms. LÄS MER

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

    Författare :Mia Stenberg; Patrik Andersson; Miriam Jacobs; Umeå universitet; []
    Nyckelord :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 ;

    Sammanfattning : 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. LÄS MER

  4. 3. Relationship between chemical structure and airway sensitizing potential for organic acid anhydrides : an animal model

    Författare :Xing-Dong Zhang; Avdelningen för arbets- och miljömedicin; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; sensitization; immunization; predictive testing; low-molecular-weight chemicals; chemical respiratory allergy; hypersensitivity; rats; guinea pigs; structure-activity-relationship; occupational asthma; organic acid anhydrides; IgG1; IgE; Occupational health; industrial medicine; Yrkesmedicin; arbetsmiljömedicin;

    Sammanfattning : Oranic acid anhydrides (OAAs) are important reactive, low-molecular-weight industrial chemicals which induce allergic rhinitis and asthma in exposed subjects. Specific IgE has been demonstrated in a large proportion of OAA-exposed workers. LÄS MER

  5. 4. Computational methods for analyzing dioxin-like compounds and identifying potential aryl hydrocarbon receptor ligands : multivariate studies based on human and rodent in vitro data

    Författare :Malin Larsson; Patrik Andersson; Anna Linusson; Mats Tysklind; Scott Boyer; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; dioxin-like compounds; multivariate analysis; toxic equivalency factor; quantitative structure-activity relationship; descriptors; virtual screening; in vitro; species variation; aryl hydrocarbon receptor;

    Sammanfattning : Polychlorinated dibenzo-p-dioxins/dibenzofurans (PCDD/Fs) and polychlorinated biphenyls (PCBs) are omnipresent and persistent environmental pollutants. In particular, 29 congeners are of special concern, and these are usually referred to as dioxin-like compounds (DLCs). LÄS MER

  7. 5. Design strategies for new drugs targeting multicomponent systems : focusing on class II MHC proteins and acetylcholinesterase

    Författare :Cecilia Lindgren; Anna Linusson; Antti Poso; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; acetylcholinesterase; class II MHC protein; drug design; molecular dynamics simulation; multicomponent system; nerve agent; oxime; quantitative structure-activity relationship; reactivator; rheumatoid arthritis; statistical molecular design; T-cell receptor;

    Sammanfattning : The field of medicinal chemistry is constantly evolving. Aided by advances within techniques as well as knowledge of biological systems, increasingly complex targets and drugs can be considered. LÄS MER