Prisotnost nekovalentnih interakcij v soleh diatrizoatov

Fabjan, Katarina (author), Perdih, Franc (mentor)

Diatrizoična kislina je kontrastno sredstvo, ki se v medicini uporablja pri različnih diagnostičnih slikovnih preiskavah. Zaradi visoke vsebnosti joda učinkovito absorbira rentgenske žarke, s čimer izboljša vidnost notranjih telesnih struktur. To omogoča natančnejše razlikovanje med normalnimi in nenormalnimi tkivi ter olajša diagnosticiranje različnih zdravstvenih stanj. Kot vsa jodirana kontrastna sredstva tudi diatrizoična kislina pri nekaterih posameznikih povzroči nezaželene stranske učinke. Namen magistrskega dela je bil pripraviti čim več različnih soli, v katerih sem preučevala interakcije diatrizoične kisline z različnimi dušikovimi spojinami. Tekom magistrskega dela sem izvedla serijo različnih reakcij diatrizoične kisline z različnimi dušikovimi spojinami. Reakcije se poleg uporabe različnih dušikovih spojin razlikujejo tudi v množinskem razmerju med diatrizoično kislino in dušikovo spojino ter v uporabi topil. Uspešno sem pripravila soli diatrizoične kisline z nekaterimi dušikovimi spojinami. Strukture produktov in uspešnost poteka reakcij sem potrdila z rentgensko praškovno analizo (PXRD) in rentgensko strukturno analizo na monokristalu (SC XRD). Pri analiziranju sem se osredotočila na ugotavljanje uspešnosti poteka reakcij in tvorbe halogenskih vezi v produktih. Predpostavila sem, da bo tvorba halogenskih vezi v nastalih produktih uspešna, saj diatrizoična kislina vsebuje tri atome joda, s katerimi je možna tvorba halogenske vezi. Ugotovila sem, da je bila predpostavka pravilna, saj so bile halogenske vezi prisotne v vseh nastalih produktih.

• Language: Slovenian
• Keywords: halogenska vez, kokristal, sol, diatrizoična kislina, rentgenska difrakcija
• Work type: Master's thesis/paper
• Organization: FKKT - Faculty of Chemistry and Chemical Technology
• Year: 2025
• PID: 20.500.12556/RUL-167369
• COBISS.SI-ID: 227704579
• Publication date in RUL: 18.02.2025

Secondary language

• Language: English
• Title: Presence of noncovalent interactions in diatrizoate salts

Abstract

Diatrizoic acid is a contrast agent used in medicine for various diagnostic imaging procedures. Due to its high iodine content, it effectively absorbs X-rays, enhancing the visibility of internal body structures. This allows for more precise differentiation between normal and abnormal tissues, facilitating the diagnosis of various medical conditions. Like all iodinated contrast agents, diatrizoic acid causes undesirable side effects in some individuals. The purpose of my master's thesis was to prepare as many different salts as possible, in which I studied the interactions of diatrizoic acid with various nitrogenous compounds. During my master's thesis, I demonstrated a series of different reactions with diatrizoic acid and various nitrogen compounds. In addition to the use of various nitrogen compounds, the reactions are also used in the mass ratio between diatrizoic acid and the nitrogen compound and in the use of solvents. I have successfully prepared salts of diatrizoic acid with some nitrogen compounds. The structure of the products and the success of the reaction were confirmed by X-ray powder analysis (PXRD) and single crystal X-ray structural analysis (SC XRD). During the analysis, I focused on determining the success of the reaction and the formation of halogen bonds in the products. I assumed that the formation of halogen bonds in the resulting products would be successful, since diatrizoic acid contains three iodine atoms, with which the formation of halogen bonds is possible. I found that the assumption was correct, as halogen bonds were present in all successfully formed products.

• Keywords: halogen bond, cocrystal, salt, diatrizoic acid, X-ray diffraction