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Special Molecules and Their Role in Nature and Technology
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Special Molecules and Their Role in Nature and Technology

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Macromolecules".

Deadline for manuscript submissions: closed (25 December 2023) | Viewed by 3245

Special Issue Editor

Prof. Dr. Elena Sheka

E-Mail Website
Guest Editor
Institute of Physical Research and Technologies, Peoples' Friendship University of Russia (RUDN University), 117198 Moscow, Russia
Interests: excitonics of molecular crystals; phonon spectra of molecular crystals (inelastic neutron scattering, calculation); exciton-phonon interaction and vibronic spectra of molecular crystals; phase transitions in molecular solids with liquid-crystal behavior (vibrational spectroscopy and neutron diffraction); vibrational spectroscopy of nanoparticles; quantum-chemical simulations; quantum fullerenics; simulations of carbon nanotubes; theoretical chemical physics of graphene; virtual vibrational spectroscopy of large molecules; digital twins concept in molecular science
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Nowadays, it is difficult to find a naturalist without a particular love for one, or several, beloved, special molecule(s). For me, this role is filled by benzene in all its grandeur and beauty, encompassing molecular crystals, aromatic hydrocarbons, fullerenes, carbon nanotubes, graphene molecules, and amorphous carbon. The benzene family continues to amaze and delight in many ways, with new special molecules or varieties continually emerging. The current Special Issue invites, first of all, scientists for whom the benzene family holds particular significance. The Editorial Board of IJMS also invites any papers or review articles detailing the latest achievements with regard to their special molecules. The physics and chemistry of real molecules, related breakthroughs in modern technologies, virtual models, and new ideas are all welcome topics.

Prof. Dr. Elena Sheka
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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

  • benzene family
  • other special molecules
  • emerging molecules
  • virtual design
  • digital twins

Published Papers (3 papers)

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Research

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18 pages, 4373 KiB  
Article
Molecular Serum Albumin Unmask Nanobio Properties of Molecular Graphenes in Shungite Carbon Nanoparticles
by Sergey Rozhkov, Andrey Goryunov and Natalia Rozhkova
Int. J. Mol. Sci. 2024, 25(5), 2465; https://doi.org/10.3390/ijms25052465 - 20 Feb 2024
Viewed by 655
Abstract
Serum albumin is a popular macromolecule for studying the effect of proteins on the colloidal stability of nanoparticle (NP) dispersions, as well as the protein–nanoparticle interaction and protein corona formation. In this work, we analyze the specific conformation-dependent phase, redox, and fatty acid [...] Read more.
Serum albumin is a popular macromolecule for studying the effect of proteins on the colloidal stability of nanoparticle (NP) dispersions, as well as the protein–nanoparticle interaction and protein corona formation. In this work, we analyze the specific conformation-dependent phase, redox, and fatty acid delivery properties of bovine albumin in the presence of shungite carbon (ShC) molecular graphenes stabilized in aqueous dispersions in the form of NPs in order to reveal the features of NP bioactivity. The formation of NP complexes with proteins (protein corona around NP) affects the transport properties of albumin for the delivery of fatty acids. Being acceptors of electrons and ligands, ShC NPs are capable of exhibiting both their own biological activity and significantly affecting conformational and phase transformations in protein systems. Full article
(This article belongs to the Special Issue Special Molecules and Their Role in Nature and Technology)
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Review

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23 pages, 4189 KiB  
Review
The Triumph of the Spin Chemistry of Fullerene C60 in the Light of Its Free Radical Copolymerization with Vinyl Monomers
by Elena F. Sheka
Int. J. Mol. Sci. 2024, 25(2), 1317; https://doi.org/10.3390/ijms25021317 - 21 Jan 2024
Viewed by 923
Abstract
The spin theory of fullerenes is taken as a basis concept to virtually exhibit a peculiar role of C60 fullerene in the free radical polymerization of vinyl monomers. Virtual reaction solutions are filled with the initial ingredients (monomers, free radicals, and C [...] Read more.
The spin theory of fullerenes is taken as a basis concept to virtually exhibit a peculiar role of C60 fullerene in the free radical polymerization of vinyl monomers. Virtual reaction solutions are filled with the initial ingredients (monomers, free radicals, and C60 fullerene) as well as with the final products of a set of elementary reactions, which occurred in the course of the polymerization. The above objects, converted to the rank of digital twins, are considered simultaneously under the same conditions and at the same level of the theory. In terms of the polymerization passports of the reaction solutions, a complete virtual picture of the processes considered is presented. Full article
(This article belongs to the Special Issue Special Molecules and Their Role in Nature and Technology)
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16 pages, 1449 KiB  
Review
Prominent Roles and Conflicted Attitudes of Eumelanin in the Living World
by Maria Letizia Terranova
Int. J. Mol. Sci. 2023, 24(9), 7783; https://doi.org/10.3390/ijms24097783 - 24 Apr 2023
Cited by 1 | Viewed by 1207
Abstract
Eumelanin, a macromolecule widespread in all the living world and long appreciated for its protective action against harmful UV radiation, is considered the beneficial component of the melanin family (ευ means good in ancient Greek). This initially limited picture has been rather recently [...] Read more.
Eumelanin, a macromolecule widespread in all the living world and long appreciated for its protective action against harmful UV radiation, is considered the beneficial component of the melanin family (ευ means good in ancient Greek). This initially limited picture has been rather recently extended and now includes a variety of key functions performed by eumelanin in order to support life also under extreme conditions. A lot of still unexplained aspects characterize this molecule that, in an evolutionary context, survived natural selection. This paper aims to emphasize the unique characteristics and the consequent unusual behaviors of a molecule that still holds the main chemical/physical features detected in fossils dating to the late Carboniferous. In this context, attention is drawn to the duality of roles played by eumelanin, which occasionally reverses its functional processes, switching from an anti-oxidant to a pro-oxidant behavior and implementing therefore harmful effects. Full article
(This article belongs to the Special Issue Special Molecules and Their Role in Nature and Technology)
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