Redukcija ribonukleotida u prebiotičkim uvjetima

doctoral thesis

• Title (english): Reduction of ribonucleotide in prebiotic conditions
• Author: Ivan Dragičević; VIAF: 313527660
• Mentor: Danijela Barić (mentor)
• Committee member: Srđanka Tomić-Pisarović (predsjednik povjerenstva)
• Committee member: Danijela Barić (član povjerenstva)
• Committee member: Sanja Tomić (član povjerenstva)
• Granter: University of Zagreb; Faculty of Science; (Department of Chemistry); Zagreb
• Defense date and country: 2014-12-18, Croatia
• Scientific / art field, discipline and subdiscipline: NATURAL SCIENCES; Chemistry
• Universal decimal classification (UDC): 54 - Chemistry. Crystallography. Mineralogy

Abstract

Porijeklo života na Zemlji jedno je od najvećih neodgovorenih pitanja u prirodnim znanostima. Preduvjet za prvo stvaranje živih organizama bilo je postojanje „molekula života“: nukleinskih kiselina, aminokiselina i šećera. Rekonstruiranje procesa koji su doveli do stvaranja molekula života u prebiotičkoj fazi zanimljiv je problem u suvremenoj kemiji. U ovoj disertaciji, računalno-kemijskim pristupom ispitani su različiti mehanizmi neenzimske redukcije ribonukleotida u deoksiribonukleotid, prekursor DNA. U današnjim uvjetima deoksiribonukleotidi nastaju enzimski kataliziranom redukcijom ribonukleotida uz prisustvo ribonukleotid reduktaza (RNR). Korištenjem G3(MP2)-RAD metode kao i metoda teorije funkcionala gustoće (DFT) modelirano je nekoliko različitih mehanizama redukcije ribonukleotida. Na taj način utvrđena je mogućnost za odvijanje regioselektivne radikalske redukcije ribonukleotida bez prisustva enzima.

Abstract (english)

Abstract
The origin of life on Earth is one of the biggest unanswered questions in science. The prerequisite for creation of the first living organisms was the existence of a "molecules of life" such as nucleic acids, amino acids and sugars. Reconstruction of the processes that have led to the formation of these molecules in prebiotic phase is an interesting problem in modern chemistry. In this thesis, using the computational chemistry approach, different mechanisms of non-enzymatic reduction of ribonucleotide to deoxyribonucleotide, a precursor of DNA, were investigated. Nowadays, the deoxyribonucleotides are formed in enzymatically catalyzed reduction of ribonucleotides by ribonucleotide reductases (RNR). Using the G3(MP2)-RAD method and density functional theory (DFT) methods several mechanisms of ribonucleotide reduction were modeled in giving an answer about the possibilities of regioselective radical reduction of ribonucleotide without the presence of enzymes.

• Keywords: ribonukleotid; redukcija; G3(MP2)-RAD; prebiotički uvjeti; teorija funkcionala gustoće; računalna kemija
• Keywords (english): riobnucleotide; reduction; G3(MP2)-RAD; prebiotic conditions; density functional theory; computational chemistry
• Language: croatian
• URN:NBN: urn:nbn:hr:217:536492
• Study programme: Title: Doctoral study in chemistry; Study programme type: university; Study level: postgraduate; Academic / professional title: doktor/doktorica znanosti, područje prirodnih znanosti, polje kemija (doktor/doktorica znanosti, područje prirodnih znanosti, polje kemija)
• Type of resource: Text
• Extent: 119 str. ; 30 cm
• File origin: Born digital
• Access conditions: Closed access
• Created on: 2019-03-21 15:38:46