Sökning: "quantitative structure-activity relationship QSAR"

Visar resultat 1 - 5 av 17 avhandlingar innehållade orden quantitative structure-activity relationship QSAR.

  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. 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

  7. 5. Improving alternatives assessment of plastic additives : exploring in silico tools to identify less hazardous flame retardants

    Författare :Ziye Zheng; Patrik L. Andersson; Hans Peter Arp; Gregory Peters; Gerrit Schüürmann; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Chemical alternatives assessment; plastic additives; flame retardants; hazard; emission; in silico; modeling; quantitative structure-activity relationship QSAR ; multi-criteria decision analysis MCDA ; environmental science; miljövetenskap; organisk kemi; Organic Chemistry; ekotoxikologi; Ecotoxicology; Toxicology; toxikologi;

    Sammanfattning : Alternatives assessment is applied for replacing hazardous chemicals with viable, safer substitutes. High quality experimental hazard data, however, are usually unavailable for this purpose, and obtaining in silico data is the only approach to fill in data gaps. LÄS MER