Study of inclusion complexes of pesticides with cucurbiturils

• Thesis title in Czech: Studie inkluzních komplexů pesticidů s kukurbiturily
• Thesis title in English: Study of inclusion complexes of pesticides with cucurbiturils
• Key words: pesticidy, inkluze, kukurbiturily, cyklodextriny, vysokoúčinná kapalinová chromatografie, hmotnostní spektrometrie, UV/VIS spektroskopie
• English key words: pesticides, inclusion, cucurbiturils, cyclodextrins, high performance liquid chromatography, mass spectrometry, UV/VIS spectroscopy
• Academic year of topic announcement: 2011/2012
• Thesis type: diploma thesis
• Thesis language: angličtina
• Department: Department of Physical and Macromolecular Chemistry (31-260)
• Supervisor: prof. RNDr. Eva Tesařová, CSc.
• Author: hidden - assigned by the advisor
• Date of registration: 18.10.2011
• Date of assignment: 07.12.2011
• Date of electronic submission: 16.05.2013
• Date of proceeded defence: 03.06.2013
• Opponents: Mgr. Jana Šteflová, Ph.D.

Preliminary scope of work

Práce bude řešena ve spolupráci s
prof. José Paulo da Silva z University of Algarve (v rámci projektu Erasmus).

Preliminary scope of work in English

The formation of inclusion complexes of naphthyl (1-naphthylacetamide, 1-naphthylacetic acid) and naphthoxy (carbaryl, napropamide) pesticides into curcurbiturils (CBs) will be studied in aqueous solution. The formation of complexes will be followed by UV-Vis absorption, fluorescence and electrospray ionization mass spectrometry (ESI-MS). The photo-transformation of the above mentioned pesticides will be studied in aqueous solutions, with and without CBs. We expect to detect the formation of the complexes and obtain their stoichiometry. The main photo-transformation products will be identified using chromatography and mass spectrometry techniques. The role of CB8 on the main photo-transformation pathways will also be evaluated.
Specific learning outcomes:
1 – Identify and describe the fundamentals of Supramolecular Chemistry/Photochemistry.
2 – Describe the behavior of cucurbiturils as nano-containers for organic molecules and predict the formation of host-guest complexes.
3 – Identify and describe the fundamentals of electro-spray-mass spectrometry (ESI-MS).
4 – Design the most appropriate ESI-MS conditions to obtain structural information for host-guest complexes of cucurbiturils and pesticides.
5 – To identify and describe the fundamentals of liquid chromatography coupled to mass spectrometry (LC-ESI-MS).
6 – Extract qualitative and quantitative information from a LC-ESI-MS trace.