Theoretical investigation of semiconductive properties in proteins. II. The possibility of charge transfer between proteins and different acceptor molecules

✍ Scribed by Sáandor Suhai; Thomas C. Collins; János Ladik

• Publisher: Wiley (John Wiley & Sons)
• Year: 1979
• Tongue: English
• Weight: 566 KB
• Volume: 18
• Category: Article
• ISSN: 0006-3525
• DOI: 10.1002/bip.1979.360180411

✦ Synopsis

Abstract

The results of theoretical investigations are reported concerning the possibility of impurity‐type charge carrier production in proteins. The energy band structures of the periodic protein model polyglycine calculated with the aid of the ab initio Hartree‐Fock crystal orbital method and corrected afterwards for long‐range correlation effects are compared with the empty levels of glyoxal, methyl‐glyoxal, acrolein, and croton‐aldehyde, suggested recently by Albert Szent‐Györgyi as possible acceptors against proteins. The comparison with previous supermolecule calculations shows that appreciable charge transfer can be expected to glyoxal, methyl‐glyoxal, and acrolein from the polypeptides, while croton‐aldehyde is probably less efficient in this relation.