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Theoretical aspects of tetrapyrrole biochemistry

Jensen, Kasper LU (2004)
Abstract (Swedish)
Popular Abstract in Swedish

Moderna teoretiska simuleringar kan ge signifikant insikt i biokemiska problem i en omfattning som ständigt ökar. Med hjälp av datorkraft och sofistikerade program från forskare inom området have vi studerat en serie av problem som är relaterat till de så kallade tetrapyrrolkofaktorerna som finns hos alla levande organismer. Vi har tacklat tre utmaningar som alla utgör klassiska problem i biooorganisk kemi: i) att förstå likheter och skillnader mellan olika tetrapyrroler och varför de har valts till sina specialla uppgifter i naturen; ii) att förstå hur den stabila men unika organometalliska Co-C bindningen i vitamin B12 bryts i enzymer; samt iii) att förstå hur hemgruppen binder syrgas trots att... (More)
Popular Abstract in Swedish

Moderna teoretiska simuleringar kan ge signifikant insikt i biokemiska problem i en omfattning som ständigt ökar. Med hjälp av datorkraft och sofistikerade program från forskare inom området have vi studerat en serie av problem som är relaterat till de så kallade tetrapyrrolkofaktorerna som finns hos alla levande organismer. Vi har tacklat tre utmaningar som alla utgör klassiska problem i biooorganisk kemi: i) att förstå likheter och skillnader mellan olika tetrapyrroler och varför de har valts till sina specialla uppgifter i naturen; ii) att förstå hur den stabila men unika organometalliska Co-C bindningen i vitamin B12 bryts i enzymer; samt iii) att förstå hur hemgruppen binder syrgas trots att reaktionen är spinnförbjuden och hur hemgruppens strukturella design har förenklat denna procedur. Denna avhandling ger några förslag och förhoppningsvis också några svar till alla dessa tre frågor. (Less)
Abstract
Modern theoretical simulations are able to provide significant insight into biochemical problems on a scale which continues to expand. With the aid of computer power and the sophisticated programs of researchers in the field, we have addressed a series of problems related to the so-called tetrapyrrole cofactors found in all living organisms. There have been three major challenges for us, all constituting “classical” problems in bioinorganic chemistry: i) to understand similarities and differences between various tetrapyrroles and why they were chosen by nature for their particular tasks; ii) to understand the way in which the stable, only known bioorganometallic Co-C bond is broken in enzymes; and iii) to understand how heme activates... (More)
Modern theoretical simulations are able to provide significant insight into biochemical problems on a scale which continues to expand. With the aid of computer power and the sophisticated programs of researchers in the field, we have addressed a series of problems related to the so-called tetrapyrrole cofactors found in all living organisms. There have been three major challenges for us, all constituting “classical” problems in bioinorganic chemistry: i) to understand similarities and differences between various tetrapyrroles and why they were chosen by nature for their particular tasks; ii) to understand the way in which the stable, only known bioorganometallic Co-C bond is broken in enzymes; and iii) to understand how heme activates oxygen for binding even though the reaction is spin-forbidden, and how the structural design of heme has facilitated this procedure. The thesis provides some suggestions and hopefully also some answers to all of these three questions. (Less)
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author
opponent
  • Prof. Ghosh, Abhik, Tromsö University
organization
publishing date
type
Thesis
publication status
published
subject
keywords
Proteiner, enzymologi, Theoretical chemistry, quantum chemistry, Teoretisk kemi, kvantkemi, enzymology, Proteins, protein, enzyme, density functional, Heme, B12
pages
210 pages
publisher
Theoretical Chemistry, Lund University
defense location
Chemical Centre, Lecture Hall C
defense date
2004-10-29 13:00
ISBN
91-628-6240-5
language
English
LU publication?
yes
id
2c526283-eff1-4aab-84db-d7dbb5f85caf (old id 467465)
date added to LUP
2007-10-13 14:04:52
date last changed
2016-09-19 08:45:03
@misc{2c526283-eff1-4aab-84db-d7dbb5f85caf,
  abstract     = {Modern theoretical simulations are able to provide significant insight into biochemical problems on a scale which continues to expand. With the aid of computer power and the sophisticated programs of researchers in the field, we have addressed a series of problems related to the so-called tetrapyrrole cofactors found in all living organisms. There have been three major challenges for us, all constituting “classical” problems in bioinorganic chemistry: i) to understand similarities and differences between various tetrapyrroles and why they were chosen by nature for their particular tasks; ii) to understand the way in which the stable, only known bioorganometallic Co-C bond is broken in enzymes; and iii) to understand how heme activates oxygen for binding even though the reaction is spin-forbidden, and how the structural design of heme has facilitated this procedure. The thesis provides some suggestions and hopefully also some answers to all of these three questions.},
  author       = {Jensen, Kasper},
  isbn         = {91-628-6240-5},
  keyword      = {Proteiner,enzymologi,Theoretical chemistry,quantum chemistry,Teoretisk kemi,kvantkemi,enzymology,Proteins,protein,enzyme,density functional,Heme,B12},
  language     = {eng},
  pages        = {210},
  publisher    = {ARRAY(0xb31ec68)},
  title        = {Theoretical aspects of tetrapyrrole biochemistry},
  year         = {2004},
}