Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

QSAR for upper-respiratory tract irritation.

D W Roberts

    Chemico-Biological Interactions
    |March 1, 1986
    PubMed
    Summary
    This summary is machine-generated.

    This study refines quantitative structure-activity relationship (QSAR) models for respiratory irritants. A single physicochemical parameter, adjusted boiling point (TB'), effectively predicts irritation across diverse chemical structures.

    Related Concept Videos

    You might also read

    Related Articles

    Articles linked to this work by shared authors, journal, and citation graph.

    Sort by
    Same author

    Neutron Rem Detector Response Changes due to Activation of Components.

    Health physics·2018
    Same author

    An evaluation of selected (Q)SARs/expert systems for predicting skin sensitisation potential.

    SAR and QSAR in environmental research·2018
    Same author

    Riboflavin induces Metarhizium spp. to produce conidia with elevated tolerance to UV-B, and upregulates photolyases, laccases and polyketide synthases genes.

    Journal of applied microbiology·2018
    Same author

    Cigarette smoking is associated with an altered vaginal tract metabolomic profile.

    Scientific reports·2018
    Same author

    The impact of electrolyte on the adsorption of the anionic surfactant methyl ester sulfonate at the air-solution interface: Surface multilayer formation.

    Journal of colloid and interface science·2017
    Same author

    Hyperspectral data processing improves PpIX contrast during fluorescence guided surgery of human brain tumors.

    Scientific reports·2017

    Area of Science:

    • Toxicology
    • Medicinal Chemistry
    • Physical Chemistry

    Background:

    • Quantitative structure-activity relationship (QSAR) models are crucial for predicting chemical toxicity.
    • Previous work by Muller and Greff established QSAR equations for upper respiratory tract irritation.
    • Further analysis of these relationships is needed for broader applicability.

    Purpose of the Study:

    • To analyze and refine existing QSAR equations for upper respiratory tract irritants.
    • To identify a single physicochemical parameter that correlates with biological activity across diverse chemical structures.
    • To explain deviations from the general QSAR equation based on chemical reactivity and metabolism.

    Main Methods:

    • Further analysis of QSAR equations presented by Muller and Greff.

    Related Experiment Videos

  • Correlation of biological activity with a single adjusted physicochemical parameter, TB '.
  • Calculation of TB' using boiling point (TB) and Trouton constant (Tr).

    • Main Results:

    • A general QSAR equation was developed correlating biological activity with TB'.
    • TB' is the boiling point adjusted for compounds with varying Trouton constants.
    • Some compounds exhibited higher irritation than predicted, explained by electrophilic reactivity, metabolism, or hydrolysis.

    Conclusions:

    • A single, adjusted physicochemical parameter (TB ') can predict upper respiratory tract irritation for a diverse range of compounds.
    • Deviations from the predicted activity can be attributed to specific chemical properties like electrophilicity and metabolic pathways.
    • This refined QSAR approach enhances the understanding and prediction of respiratory irritant potential.