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On cellulose spatial organization and interactions as unraveled by diffraction and spectroscopic methods throughout the 20th century

  • Adriana Šturcová EMAIL logo
Veröffentlicht/Copyright: 2. Juli 2021
Pure and Applied Chemistry
Aus der Zeitschrift Pure and Applied Chemistry Band 93 Heft 10

Abstract

This contribution attempts to describe the path towards determination of cellulose crystal structure down to atomic coordinates, towards the determination of its molecular conformation, as well as towards the details of the intricate pattern of hydrogen bonds and their dynamics. This path started at the beginning of the 20th century with X-ray diffraction, continued with electron diffraction, infrared and Raman spectroscopy, and significant knowledge was gained by methods of NMR spectroscopy. Towards the end of the 20th century and at the beginning of the 21st century, X-ray diffraction in conjunction with neutron diffraction provided the position of hydrogens, which led to detailed description of the geometry of hydrogen bonding network in cellulose. Quantum chemical and molecular dynamics calculations, polarized infrared spectroscopy and sum frequency generation vibrational spectroscopy were used to identify the origins of the vibrational modes in cellulose and to describe their extensive coupling mediated by hydrogen bonds. The role of amphiphilic character of cellulose macromolecule (and consequent hydrophobic interactions) in cellulose properties and behavior has been gaining more recognition in the 21st century.

Keywords: Centenary of macromolecules; computer modeling; hydrogen bonding; hydrophobicity; infrared; IUPAC Polymer Division; NMR; polysaccharides; spectroscopy; diffraction
Corresponding author: Adriana Šturcová, Institute of Macromolecular Chemistry CAS, Heyrovského nám. 2, 162 06 Prague, Czech Republic, e-mail:

Article note: A collection of invited papers from members of the IUPAC Polymer Division Celebrating a Centenary of Macromolecules.

Funding source: Institutional Support

Award Identifier / Grant number: RVO 61389013

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Published Online: 2021-07-02
Published in Print: 2021-10-26

© 2021 IUPAC & De Gruyter. This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License. For more information, please visit: http://creativecommons.org/licenses/by-nc-nd/4.0/

Artikel in diesem Heft

  1. Frontmatter
  2. In this issue
  3. Preface
  4. Celebrating a centenary of macromolecules
  5. Invited papers
  6. Hermann Staudinger – Organic chemist and pioneer of macromolecules
  7. On cellulose spatial organization and interactions as unraveled by diffraction and spectroscopic methods throughout the 20th century
  8. Dielectric properties of processed cheese
  9. Drawing inspiration from nature to develop anti-fouling coatings: the development of biomimetic polymer surfaces and their effect on bacterial fouling
  10. Mitigating the charge trapping effects of D-sorbitol/poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) polymer blend contacts to crystalline silicon
  11. Influence of thermal treatment on the properties and intermolecular interactions of epoxidized natural rubber-salt systems
  12. Leveraging diversity and inclusion in the polymer sciences: the key to meeting the rapidly changing needs of our world
  13. Preface
  14. The virtual conference on chemistry and its applications, VCCA-2020, 1–31 August 2020
  15. Conference papers
  16. Effect of non-competitive inhibitors of aminopeptidase N on viability of human and murine tumor cells
  17. Evaluation of the catalytic activity of graphene oxide and zinc oxide nanoparticles on the electrochemical sensing of T1R2-Rebaudioside A complex supported by in silico methods
  18. Maximizing student learning through the use of demonstrations
  19. Molecular spaces and the dimension paradox
  20. Reaction of •OH with CHCl=CH-CHF2 and its atmospheric implication for future environmental-friendly refrigerant
  21. In silico study of the synergistic anti-tumor effect of hybrid topoisomerase-HDAC inhibitors
  22. Structural and electronic properties of Cu4O3 (paramelaconite): the role of native impurities
https://doi.org/10.1515/pac-2021-0306
Schlagwörter für diesen Artikel
Centenary of macromolecules; computer modeling; hydrogen bonding; hydrophobicity; infrared; IUPAC Polymer Division; NMR; polysaccharides; spectroscopy; diffraction

Artikel in diesem Heft

  1. Frontmatter
  2. In this issue
  3. Preface
  4. Celebrating a centenary of macromolecules
  5. Invited papers
  6. Hermann Staudinger – Organic chemist and pioneer of macromolecules
  7. On cellulose spatial organization and interactions as unraveled by diffraction and spectroscopic methods throughout the 20th century
  8. Dielectric properties of processed cheese
  9. Drawing inspiration from nature to develop anti-fouling coatings: the development of biomimetic polymer surfaces and their effect on bacterial fouling
  10. Mitigating the charge trapping effects of D-sorbitol/poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) polymer blend contacts to crystalline silicon
  11. Influence of thermal treatment on the properties and intermolecular interactions of epoxidized natural rubber-salt systems
  12. Leveraging diversity and inclusion in the polymer sciences: the key to meeting the rapidly changing needs of our world
  13. Preface
  14. The virtual conference on chemistry and its applications, VCCA-2020, 1–31 August 2020
  15. Conference papers
  16. Effect of non-competitive inhibitors of aminopeptidase N on viability of human and murine tumor cells
  17. Evaluation of the catalytic activity of graphene oxide and zinc oxide nanoparticles on the electrochemical sensing of T1R2-Rebaudioside A complex supported by in silico methods
  18. Maximizing student learning through the use of demonstrations
  19. Molecular spaces and the dimension paradox
  20. Reaction of •OH with CHCl=CH-CHF2 and its atmospheric implication for future environmental-friendly refrigerant
  21. In silico study of the synergistic anti-tumor effect of hybrid topoisomerase-HDAC inhibitors
  22. Structural and electronic properties of Cu4O3 (paramelaconite): the role of native impurities
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