Kemometrijski pristupi u analizi toksičnog ponašanja supstanci

undergraduate thesis

• Title (english): Chemometric approaches in the analysis of toxic behavior of substances
• Author: Klara Zrinski
• Mentor: Šime Ukić (mentor)
• Committee member: Šime Ukić (predsjednik povjerenstva)
• Committee member: Matija Cvetnić (član povjerenstva)
• Committee member: Dajana Kučić Grgić (član povjerenstva)
• Granter: University of Zagreb; Faculty of Chemical Engineering and Technology; Zagreb
• Defense date and country: 2023-09-08, Croatia
• Scientific / art field, discipline and subdiscipline: NATURAL SCIENCES; Chemistry

Abstract

Globalni razvoj industrije povezuje se s onečišćenjem okoliša. Štetni utjecaj raznih tvari antropogenog porijekla na organizme u okolišu postao je ozbiljni problem te su razvijene razne metode kako bi se mogao procijeniti rizik prisutnosti toksičnih tvari u okolišu kao i metode koje određuju toksični učinak tvari na organizme. Procjena rizika temelji se na poznatim vrijednostima toksičnosti pojedinih tvari koje se mogu odrediti za različite testne organizma. S obzirom da se štetne tvari u okolišu u pravilu ne nalaze samostalno već kao smjesa tvari, ovakav pristup najčešće nije koristan. Tvari u smjesama mogu djelovati zajedno na način da je štetni utjecaj intenzivniji nego da sumiramo utjecaj dviju zasebnih tvari. Zbog beskonačnog broja različitih smjesa koji mogu egzistirati u okolišu, nije moguće za svaku smjesu odrediti toksičnost već se razvijaju matematički modeli kojima se predviđa toksičnost takvih smjesa. Najčešće korišten model je aditivni model, potom model neovisnog djelovanja te zatim modeli nastali njihovom integracijom. Na krilima intenzivnog razvoja računala sve više na važnosti dobivaju i napredni računalni pristupi, pri čemu treba istaknuti modeliranje kvantitativnog odnosa strukture i aktivnosti (tzv. QSAR modeli) te primjenu umjetne inteligencije. Statističke metode koje se primjenjuju kod određivanja toksičnog učinka tvari dijele se na parametarske i neparametarske. Kada god je moguće koriste se parametarski testovi, najčešće Studentov t-test, Tukeyjev test, Dunnettov test i Williamsov test. Svaki parametarski test ima ekvivalentan neparametarski test.

Abstract (english)

Global development of industry has been related with environmental pollution. An adverse effect on various anthropogenic substances on organisms in the environment has become a serious problem. Therefore, various methods have been developed in order to determine the toxic effect of hazardous substances on organisms and assess the risk of their presence in the environment. The risk assessment is based on the known toxicity values of individual substances that can be tested on various test organisms. Such approach has a deficiency if applied for environmental risk assessment considering that hazardous substances are not found alone in the environment but as a mixture of various substances. Substances in mixtures can act together, possibly resulting in more intense harmful effect than a cumulative effect of two pure substances. Due to the infinite number of different mixtures that can occur in the environment, mathematical models that predict their toxicity have been developed and used in risk assessment. The most commonly used model is the concentration addition model, followed by the independent action model and models resulting from their combination. The intensive development of computers with high performances supported application of advanced mathematical approaches such as quantitative structure-activity relationship (QSAR) modeling and artificial intelligence. Statistical methods used to determine the toxic effect of substances on organisms are generally divided into parametric and nonparametric methods. Whenever possible, parametric tests are used, and the most commonly ones are Student's t-test, Tukey's test, Dunnett's test and Williams' test. Every parametric test has an equivalent nonparametric test.

• Keywords: toksičnost; procjena rizika; modeli toksičnosti
• Keywords (english): toxicity; risk assessment; toxicity models
• Language: croatian
• URN:NBN: urn:nbn:hr:149:133085
• Project: Number: IP-2019-04-9661; Title: Primjena naprednih tehnologija obrade voda za uklanjanje mikroplastike; Title: Advanced Water Treatment Technologies for Microplastics Removal; Acronym: AdWaTMiR; Leader: Tomislav Bolanča; Jurisdiction: Croatia; Funder: HRZZ; Funding stream: IP
• Study programme: Title: Applied Chemistry - Undergraduate study; specializations in: Environmental chemistry and green technologies, Advanced materials and technologies, Applied organic chemistry; Course: Environmental chemistry and green technologies; Study programme type: university; Study level: undergraduate; Academic / professional title: sveučilišni/a prvostupnik/prvostupnica (baccalaureus/baccalaurea) primijenjene kemije (sveučilišni/a prvostupnik/prvostupnica (baccalaureus/baccalaurea) primijenjene kemije)
• Type of resource: Text
• File origin: Born digital
• Access conditions: Open access
• Created on: 2023-09-12 12:55:49