Macromolecules: Theoretical and Experimental Developments of Their Structure, Bonding, Physical Properties and Functionality

A special issue of Polymers (ISSN 2073-4360). This special issue belongs to the section "Polymer Analysis and Characterization".

Deadline for manuscript submissions: closed (25 December 2020) | Viewed by 2670

Special Issue Editors


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Guest Editor
National Institute of Advanced Industrial Science and Technology, Tsukuba, Japan
Interests: Noncovalent interactions; Macromolecular Chemistry; Perovskites solar cells; Organic-inorganic hybrid materials; Thermosetting and thermoplastic polymers; Endohedral fullerenes; Carbon fiber reinforced composite polymers; Surfaces and interfaces; Materials hardness; First-principles studies; Spectroscopy
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Co-Guest Editor
Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, Johannesburg 2050, South Africa
Interests: noncovalent interactions; coordination chemistry; bioinorganic chemistry
Special Issues, Collections and Topics in MDPI journals

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Co-Guest Editor
The National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8560, Japan
Interests: perovskite solar cells; metal oxides; endohedral fullerenes; surfaces and interfaces; noncovalent interactions; first-principle studies
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Macromolecules cover an important part of contemporary research themes in many fields such as nanomaterials science, polymers, crystallography, biological and biochemical sciences. In biology, they primarily occur as carbohydrates, lipids, proteins and nucleic acids, and systems resulting from their interactions through noncovalent interactions. In the field of polymer chemistry, they represent network structures such as thermosetting epoxy polymers that have important applications in the design of carbon fiber reinforced nanocomposites for structural applications in, for example, aircrafts and automobile parts. Polymers with fullerene pendants attached directly to the main chain or incorporated into the side chains are a class of such macromolecules that function as unimolecular micelle structures. When fullerenes are combined with polyaryl ethers or polycarbonates with triethylene glycol chains around, they exhibit impressive photophysical properties. Macromolecules also play a major role as host species in proton transfer reactions of macromolecular acid-base systems, as well as cavities to host large molecules, in the rational design of innovative materials, drugs and their functionality.

This Special Issue aims to cover the theoretical and experimental progress and developments that have been essential for the understanding of the structural, bonding, electronic, vibrational, spectroscopic and optical properties of a wide variety of macromolecules, including applications in various fields such as nanocomposite, polymer, noncovalent and supramolecular chemistry, crystallography and biological sciences, among others. Special emphasis should be placed on elucidating the role of non-covalent interactions (including halogen bonds, hydrogen bonds, and van der Waals interactions) that play a major role in controlling the assembly of small molecules and between complementary macromolecules responsible in the design of new macromolecular materials.

Dr. Pradeep R. Varadwaj
Prof. Helder M. Marques
Dr. Arpita Varadwaj
Guest Editors

Manuscript Submission Information

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Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Polymers is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • Macromolecules
  • host-guest systems
  • surfaces and interfaces
  • molecular dynamics
  • polymer and biological sciences
  • noncovalent interactions
  • nanocomposites
  • fullerene chemistry
  • functional materials
  • Crystallography
  • Density functional theory calculations

Published Papers (1 paper)

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Research

24 pages, 6494 KiB  
Article
On the Mutual Relationships between Molecular Probe Mobility and Free Volume and Polymer Dynamics in Organic Glass Formers: cis-1,4-poly(isoprene)
by Helena Švajdlenková, Ondrej Šauša, Sergey V. Adichtchev, Nikolay V. Surovtsev, Vladimir N. Novikov and Josef Bartoš
Polymers 2021, 13(2), 294; https://0-doi-org.brum.beds.ac.uk/10.3390/polym13020294 - 18 Jan 2021
Cited by 2 | Viewed by 2262
Abstract
We report on the reorientation dynamics of small spin probe 2,2,6,6-tetramethylpiperidinyl-1-oxyl (TEMPO) in cis-1,4-poly(isoprene) (cis-1,4-PIP10k) from electron spin resonance (ESR) and the free volume of cis-1,4-PIP10k from positron annihilation lifetime spectroscopy (PALS) in relation to the high-frequency relaxations of [...] Read more.
We report on the reorientation dynamics of small spin probe 2,2,6,6-tetramethylpiperidinyl-1-oxyl (TEMPO) in cis-1,4-poly(isoprene) (cis-1,4-PIP10k) from electron spin resonance (ESR) and the free volume of cis-1,4-PIP10k from positron annihilation lifetime spectroscopy (PALS) in relation to the high-frequency relaxations of cis-1,4-PIP10k using light scattering (LS) as well as to the slow and fast processes from broadband dielectric spectroscopy (BDS) and neutron scattering (NS). The hyperfine coupling constant, 2Azz′(T), and the correlation times, τc(T), of cis-1,4-PIP10k/TEMPO system as a function of temperature exhibit several regions of the distinct spin probe TEMPO dynamics over a wide temperature range from 100 K up to 350 K. The characteristic ESR temperatures of changes in the spin probe dynamics in cis-1,4-PIP10k/TEMPO system are closely related to the characteristic PALS ones reflecting changes in the free volume expansion from PALS measurement. Finally, the time scales of the slow and fast dynamics of TEMPO in cis-1,4-PIP10k are compared with all of the six known slow and fast relaxation modes from BDS, LS and NS techniques with the aim to discuss the controlling factors of the spin probe reorientation mobility in polymer, oligomer and small molecular organic glass-formers. Full article
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