Aluminum (III) Interactions with Aminoacid Chains

Doctoral Dissertation

Jose M. Mercero

Director: Jesus M. Ugalde

2001.eko Apirila.

. .

• Eskerrik Asko!!!
• Acknowledgments

Contents

Sarrera Orokorra

• Aluminioa Sistema Biologikoetan
• Erabilitako Metodo Teorikoen Deskripzio Laburra, Sarrera Teorikoa
  • Dentsitate Funtzionalaren Metodoak
  • Oinarri-Funtzioak
  • Loturak Aztertzeko Tresnak
    • Uhin Funtzioaren Azterketa, Loturazko Orbital Naturalak (LON)
    • Dentsitate Elektronikotik ateratako informazioa, Bader-en Analisia

General Introduction

• Aluminum In Biological Systems
• Theoretical Introduction
  • Density Functional Methods
  • Basis Sets
  • Bond Analysis Tools
    • Natural Bond Orbital (NBO)
    • The Bader Analysis

Acidic Aminoacid Chains.

• Abstract
• Introduction
• Methods
• Results and Discussion
  • X-HCOO$^{-}$ Complexes
  • X-$^{-}$OOC-CH$_{3}$
  • X-$^{-}$OOC-CH$_{2}$CH$_{3}$
• Conclusions

Acid Derivative Aminoacid Chains

• Abstract
• Introduction
• Methods
• Results and Discussion
  • X-HCONH$_{2}$ Complexes
  • X-CH$_{3}$CONH$_{2}$ Complexes
  • X-CH$_{3}$CH$_{2}$CONH$_{2}$ Complexes
• Conclusions

Sulfur Containing Aminoacid Chains

• Abstract
• Introduction
• Methods
• Results and Discussion
  • X-Cysteine aminoacid Chain Interactions
    • Neutral Form
    • Anionic Form
  • X-Methionine aminoacid Chain Interactions
• Conclusions

Aromatic Aminoacid Chains

• Abstract
• Introduction
• Methods
• Results and Discussion
  • (Al(III),Mg(II))-Phenylalanine aminoacid Chain Interactions
  • (Al(III), Mg(II))-Tyrosine Aminoacid Chain Interactions
  • Tryptophan Aminoacid Chain Interactions
• Conclusions

Bibliography

• List of Publications

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