Istraživanje međumolekulskih interakcija u kokristalima odabranih aminokiselina i 5-amino-2,4,6-trijodizoftalne kiseline

master's thesis

• Title (english): Investigation of intermolecular interactions in cocrystals of selected amino acids with 5-amino-2,4,6-triiodoisophthalic acid
• Author: Tereza Lacković
• Mentor: Ivica Đilović (mentor)
• Mentor: Kristina Smokrović (komentor)
• Committee member: Ivica Đilović (predsjednik povjerenstva)
• Committee member: Adriana Kenđel (član povjerenstva)
• Committee member: Đani Škalamera (član povjerenstva)
• Committee member: Mirta Rubčić (član povjerenstva)
• Granter: University of Zagreb; Faculty of Science; (Department of Chemistry); Zagreb
• Defense date and country: 2022-10-28, Croatia
• Scientific / art field, discipline and subdiscipline: NATURAL SCIENCES; Chemistry

Abstract

U proteinskoj kristalografiji se za rješavanje faznog problema koriste brojne metode. Jedna od
najčešće korištenih metoda za određivanje strukture novih proteina jest metoda izomorfne
zamjene. Za to je potrebno, uz kristale nativnog proteina, prirediti derivate koji posjeduju atome
koji značajnije anomalno raspršuju zračenje. Najčešće su to bili ioni teških metala (poput, Hg2+
,
PtCl4
2−), a u novije se vrijeme sve uspješnije koriste organske molekule koje posjeduju više
atoma halogenih elemenata. Međutim, dosad nije napravljeno istraživanje kojim bi se
specifično istražile interakcije standardnih aminokiselina s takvim organskim molekulama.
U sklopu ovog rada, kao predstavnik nove klase spojeva odabrana je 5-amino-2,4,6-
trijodizoftalna kiselina (I3C). U brojim postupcima sinteze priređeni su novi spojevi spomenute
kiseline sa standardnim aminokiselinama, a jedino je kokristalu I3C i L-histidina određena
kristalna i molekulska struktura. Ostali produkti odabranih aminokiselina i I3C karakterizirani
su infracrvenom spektroskopijom i rendgenskom difrakcijom na polikristalnom uzorku.
Također, dobiven je novi solvat I3C kojemu je određena molekulska i kristalna struktura.

Abstract (english)

In protein crystallography, numerous methods are used to solve the phase problem. One of the
most commonly used methods is the isomorphous replacement method. For this, it is necessary,
along with crystals of the native protein, to prepare derivatives that possess atoms that
significantly scatter radiation (anomalously). Most often, these were heavy metal ions (such as
Hg2+, PtCl4
2−), and recently, organic molecules possessing more atoms of halogen elements
have been used successfully. However, no systematic research has been done to investigate the
interactions of standard amino acids with such organic molecules.
As part of this work, 5-amino-2,4,6-triiodisophthalic acid (I3C) was selected as a representative
of a new class of compounds. In numerous synthesis procedures, new compounds of I3C with
standard amino acids were prepared, and only the crystal and molecular structure of the cocrystal of I3C and L-histidine was determined. Other products of selected amino acids and I3C
were characterized by IR spectroscopy and X-ray diffraction on a polycrystalline sample. Also,
a new solvate I3C was obtained, the molecular and crystal structure of which was determined.

• Keywords: aminokiseline; 5-amino-2; 4; 6-trijodizoftalna kiselina; difrakcijske metode; proteinska kristalografija; međumolekulske interakcije
• Keywords (english): amino acids; 5-amino-2; 4; 6-triiodoisophtalic acid; diffraction methods; protein crystallography; intermolecular interactions
• Language: croatian
• URN:NBN: urn:nbn:hr:217:181209
• Study programme: Title: Graduate university studies in chemistry; specializations in: Research programme; Course: Research programme; Study programme type: university; Study level: graduate; Academic / professional title: magistar/magistra kemije (magistar/magistra kemije)
• Type of resource: Text
• File origin: Born digital
• Access conditions: Open access; Embargo expiration date: 2024-10-28
• Created on: 2022-11-04 13:07:07