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Special Issue "The Fuzziness in Molecular, Supramolecular, and Systems Chemistry"

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Physical Chemistry".

Deadline for manuscript submissions: 30 April 2019

Special Issue Editor

Guest Editor
Dr. Pier Luigi Gentili

Department of Chemistry, Biology, and Biotechnology; University of Perugia, 06123 Perugia, Italy
Website | E-Mail
Phone: (+39) 075-585-5573
Interests: the fuzziness of the molecular world; chemical artificial intelligence; complex systems; systems chemistry; natural computing; neuromorphic engineering; computing by molecules; fuzzy logic; binary logic; oscillating reactions; hydrodynamics; chaos

Special Issue Information

Dear Colleagues,

Fuzzy Logic is a good model for the human ability to compute with words. It is based on the theory of Fuzzy set. A Fuzzy set is different from a classical set because it breaks the Law of the Excluded Middle. In fact, an item may belong to a Fuzzy set and its complement at the same time and with the same or different degree of membership. The degree of membership of an item to a Fuzzy set can be any real number included between 0 and 1. This property allows dealing with all those statements of which truths are a matter of degree. Fuzzy logic is playing a relevant role in the field of Artificial Intelligence because it enables making decisions in complex situations, where there are many intertwined variables involved. Traditionally, Fuzzy logic is implemented through software on a computer or, even better, through analog electronic circuits. Recently, the idea of using molecules and chemical reactions for processing Fuzzy logic is blooming. In fact, the molecular word is fuzzy in its essence. The overlapping of quantum states, on the one hand, and the conformational heterogeneity of large molecules, on the other, enable context-specific functions to emerge in response to changing environmental conditions. Moreover, analog input–output relationships, involving not only electrical but also other physical and chemical variables can be exploited to build Fuzzy Logic Systems. The development of “Fuzzy Chemical Systems” is tracing a new path in the field of Artificial Intelligence. Such new path shows that Artificial Intelligent Systems can be implemented not only through software and electronic circuits but also through solutions of properly chosen chemical compounds. The design of Chemical Artificial Intelligent Systems and Chemical Robots promises to have a significant impact on science, medicine, economy, security, and well-being. Therefore, it is my great pleasure to announce a Special Issue of Molecules entitled “The Fuzziness in Molecular, Supramolecular, and Systems Chemistry.” All researchers who experience the Fuzziness of the molecular world or use Fuzzy logic to understand Chemical Complex Systems are warmly invited to contribute to this Special Issue by submitting research papers or reviews. This Special Issue has the ambition of gathering the brilliant ideas of the principal investigators in this field and promoting the generation of a research network for further scientific collaborations. 

Dr. Pier Luigi Gentili
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 papers will be 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. Molecules is an international peer-reviewed open access monthly 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 1800 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.


  • The Fuzziness in Molecular Computing
  • The Fuzziness of Proteins
  • The Fuzziness of DNA/RNA and their Hybridization Reactions
  • Supramolecular Fuzziness
  • The Fuzziness in Systems Chemistry
  • The Fuzziness of Cellular Processes
  • The Fuzziness in Chemical Artificial Intelligent Systems
  • The Fuzziness in Chemical Robots
  • The Fuzziness of the Quantum World
  • The Fuzziness of Quantum Computation
  • Fuzzy Logic Systems and Complex Systems
  • Fuzzy Logic and Analytical Chemistry
  • Fuzzy Cognitive Maps in Chemistry

Published Papers (1 paper)

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Open AccessFeature PaperPerspective The Fuzziness of the Molecular World and Its Perspectives
Molecules 2018, 23(8), 2074; https://doi.org/10.3390/molecules23082074
Received: 30 July 2018 / Revised: 16 August 2018 / Accepted: 17 August 2018 / Published: 19 August 2018
PDF Full-text (4973 KB) | HTML Full-text | XML Full-text
Scientists want to comprehend and control complex systems. Their success depends on the ability to face also the challenges of the corresponding computational complexity. A promising research line is artificial intelligence (AI). In AI, fuzzy logic plays a significant role because it is
[...] Read more.
Scientists want to comprehend and control complex systems. Their success depends on the ability to face also the challenges of the corresponding computational complexity. A promising research line is artificial intelligence (AI). In AI, fuzzy logic plays a significant role because it is a suitable model of the human capability to compute with words, which is relevant when we make decisions in complex situations. The concept of fuzzy set pervades the natural information systems (NISs), such as living cells, the immune and the nervous systems. This paper describes the fuzziness of the NISs, in particular of the human nervous system. Moreover, it traces three pathways to process fuzzy logic by molecules and their assemblies. The fuzziness of the molecular world is useful for the development of the chemical artificial intelligence (CAI). CAI will help to face the challenges that regard both the natural and the computational complexity. Full article
(This article belongs to the Special Issue The Fuzziness in Molecular, Supramolecular, and Systems Chemistry)

Graphical abstract

Planned Papers

The below list represents only planned manuscripts. Some of these manuscripts have not been received by the Editorial Office yet. Papers submitted to MDPI journals are subject to peer-review.

Title: Surprisal Analysis Characterization and Compaction of a Temporal System Level Metabolic Network

Author: Evan Askanazi1, Francoise Remacle1,2 and R. D. Levine1,3,4


1. The Fritz Haber Center for Molecular Dynamics and Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 91904, Israel

2. Theoretical Physical Chemistry, UR MolSys B6c, University of Liège, B4000 Liège, Belgium
3. Department of Molecular and Medical Pharmacology, David Geffen School of Medicine and 
4. Department of Chemistry and Biochemistry, University of California, Los Angeles, CA 90095, USA

Abstract: The temporal reorganization of the metabolic readjustment from a glycolytic to a gluconeogenic operation in yeast has been experimentally well characterized. Three major biochemical pathways have been identified. Here we discuss how surprisal analysis, an information theoretic approach motivated by thermodynamics, can be applied to characterize the motion of the system towards equilibrium and the equilibrium itself. We show how the available data comprising the time changing concentrations profiles of 214 metabolites, 72 of which are enzymes, can be very extensively compacted. This paper is not as such a contribution to fuzzy system chemistry and yet it suggests a close link, a link worthy of further study.

Title: Vague Identities and Vague Chemistry

Author: Apostolos Syropoulos

Affiliation: Greek Molecular Computing Group; asyropoulos@yahoo.com

Abstract: Vagueness is a fundamental property of Nature. This simply means that everything is vague: animals, plants, molecules, atoms, etc. This further implies that, in general, the laws of nature should be described by new mathematics capable of expressing vagueness. Fuzzy mathematics are such new mathematics but they are not the only ones. In addition, Chemistry studies (vague) molecules and their interactions, nevertheless, by assuming that molecules are not vague. This oxymoron can be resolved by showing that what we observe in nature and in the laboratory is compatible with the idea of vague identities.
Vagueness; Fuzzy Mathematics; Chemistry

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