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Symmetry
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Chemistry: Symmetry/Asymmetry—Feature Papers and Reviews
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Chemistry: Symmetry/Asymmetry—Feature Papers and Reviews

A special issue of Symmetry (ISSN 2073-8994). This special issue belongs to the section "Chemistry: Symmetry/Asymmetry".

Deadline for manuscript submissions: 31 December 2024 | Viewed by 5550

Special Issue Editor

Prof. Dr. György Keglevich

E-Mail Website
Guest Editor
Department of Organic Chemistry and Technology, Budapest University of Technology and Economics, H-1521 Budapest, Hungary
Interests: organophosphorus chemistry; green chemistry; microwave chemistry; catalysts; ionic liquids
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Symmetry and asymmetry are fascinating topics in chemistry. "Chemistry: Symmetry/Asymmetry. Feature Papers and Reviews" is a Special Issue that covers a wide range of topics related to symmetry or asymmetry in chemistry. Papers submitted to Symmetry may include all types of symmetry-related problems in chemistry. All organic chemists, theoretical chemists, and crystal chemists are invited to submit papers focusing on, but not limited to, the following emerging research topics in related areas:

  • Chirality;
  • Enantiomers;
  • Diastereomers;
  • Molecular symmetry;
  • Plane of symmetry;
  • Asymmetric carbon;
  • Optically active compounds;
  • Stereocenter;
  • Homochirality;
  • Symmetry elements;
  • Mirror plane;
  • Molecular chirality;
  • Asymmetric synthesis;
  • Optical resolution;
  • X-ray crystallography;
  • X-ray structures;
  • Crystal structures;
  • Homochirality in chemistry and biochemistry;
  • Symmetry and spectroscopy;
  • Symmetry and isomerism;
  • Homochirality in the origin of life;
  • Chirogenesis;
  • Stereoselective synthesis;
  • Chiral ligands.

Prof. Dr. György Keglevich
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. Symmetry 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 2400 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

  • chirality
  • enantiomers
  • diastereomers
  • molecular symmetry
  • plane of symmetry
  • asymmetric carbon
  • optically active compounds
  • stereocenter
  • homochirality
  • symmetry elements
  • mirror plane
  • molecular chirality
  • asymmetric synthesis
  • optical resolution
  • X-ray crystallography
  • X-ray structures
  • crystal structures
  • homochirality in chemistry and biochemistry
  • symmetry and spectroscopy

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Published Papers (4 papers)

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Research

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36 pages, 13944 KiB  
Article
Enumeration of n-Dimensional Hypercubes, Icosahedra, Rubik’s Cube Dice, Colorings, Chirality, and Encryptions Based on Their Symmetries
by Krishnan Balasubramanian
Symmetry 2024, 16(8), 1020; https://doi.org/10.3390/sym16081020 - 9 Aug 2024
Viewed by 1304
Abstract
The whimsical Las Vegas/Monte Carlo cubic dice are generalized to construct the combinatorial problem of enumerating all n-dimensional hypercube dice and dice of other shapes that exhibit cubic, icosahedral, and higher symmetries. By utilizing powerful generating function techniques for various irreducible representations, we [...] Read more.
The whimsical Las Vegas/Monte Carlo cubic dice are generalized to construct the combinatorial problem of enumerating all n-dimensional hypercube dice and dice of other shapes that exhibit cubic, icosahedral, and higher symmetries. By utilizing powerful generating function techniques for various irreducible representations, we derive the combinatorial enumerations of all possible dice in n-dimensional space with hyperoctahedral symmetries. Likewise, a number of shapes that exhibit icosahedral symmetries such as a truncated dodecahedron and a truncated icosahedron are considered for the combinatorial problem of dice enumerations with the corresponding shapes. We consider several dice with cubic symmetries such as the truncated octahedron, dodecahedron, and Rubik’s cube shapes. It is shown that all enumerated dice are chiral, and we provide the counts of chiral pairs of dice in the n-dimensional space. During the combinatorial enumeration, it was discovered that two different shapes of dice exist with the same chiral pair count culminating to the novel concept of isochiral polyhedra. The combinatorial problem of dice enumeration is generalized to multi-coloring partitions. Applications to chirality in n-dimension, molecular clusters, zeolites, mesoporous materials, cryptography, and biology are also pointed out. Applications to the nonlinear n-dimensional hypercube and other dicey encryptions are exemplified with romantic, clandestine messages: “I love U” and “V Elope at 2”. Full article
(This article belongs to the Special Issue Chemistry: Symmetry/Asymmetry—Feature Papers and Reviews)
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27 pages, 9799 KiB  
Article
On the Solvatochromism of Fluorescein Sodium
by Corina Cheptea, Alexandru Zara, Ecaterina Ambrosi, Ana Cezarina Morosanu, Maria Diaconu, Mihaela Miron, Dana Ortansa Dorohoi and Dan Gheorghe Dimitriu
Symmetry 2024, 16(6), 673; https://doi.org/10.3390/sym16060673 - 30 May 2024
Cited by 1 | Viewed by 1039
Abstract
Fluorescein sodium is a very important compound for a wide spectrum of applications, from which medical applications prevail. Despite this, there are very few studies in the literature related to the structure and fundamental properties of fluorescein sodium and its solutions, with most [...] Read more.
Fluorescein sodium is a very important compound for a wide spectrum of applications, from which medical applications prevail. Despite this, there are very few studies in the literature related to the structure and fundamental properties of fluorescein sodium and its solutions, with most of the studies dealing with fluorescein. The purpose of the present article is to determine some parameters of the fluorescein sodium molecule approaching the quantum-mechanical modeling and experimental solvatochromism in both binary and ternary solutions. For data analysis, several theoretical models were applied. The results highlight the intermolecular interactions involved in the spectral shift of the electronic absorption band of fluorescein sodium when dissolved in different solvents or binary solvents and allowed the estimation of the difference between the interaction energy in molecular pairs of the type of fluorescein sodium − solvent 1 and fluorescein sodium − solvent 2. By applying a variational method, the dipole moment in the first excited state of the fluorescein sodium molecule and the angle between the dipole moments in the ground and excited states, respectively, were estimated. These results are useful for a better understanding of the behavior of fluorescein sodium when dissolved in different solvents or combinations of solvents, to develop new practical applications. Full article
(This article belongs to the Special Issue Chemistry: Symmetry/Asymmetry—Feature Papers and Reviews)
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Review

Jump to: Research

27 pages, 1672 KiB  
Review
Analyzing the Chiral Purity of Pharmaceuticals: The Application of Cyclodextrin-Based Chiral Selectors in Capillary Electrophoresis
by Gabriel Hancu, Adriana Modroiu, Denisa Gabriela Stroia and Alexandra Uilăcan
Symmetry 2024, 16(10), 1354; https://doi.org/10.3390/sym16101354 - 12 Oct 2024
Viewed by 1156
Abstract
The current review provides a focused analysis of the application of capillary electrophoresis (CE) techniques to determine the chiral purity of pharmaceuticals, with a specific emphasis on cyclodextrin- (CD) based chiral selectors (CSs), highlighting advancements, methodologies, and trends in this area as reported [...] Read more.
The current review provides a focused analysis of the application of capillary electrophoresis (CE) techniques to determine the chiral purity of pharmaceuticals, with a specific emphasis on cyclodextrin- (CD) based chiral selectors (CSs), highlighting advancements, methodologies, and trends in this area as reported in studies published from 2010 to 2024. The review emphasizes CE’s evolution as a critical tool in this field, discussing its advantages, such as high efficiency, flexibility, relatively low costs, and minimal environmental impact, which make it well-suited for modern pharmaceutical applications. Additionally, it underscores the importance of CE in meeting stringent regulatory requirements for chiral drug substances. A significant shift in method optimization has occurred in the last ten years, shifting from the traditional One-Factor-at-a-Time (OFAT) strategy to the Design-of-Experiments (DoE) approach; this shift has enabled more systematic and robust method development. Furthermore, a common trend in recent years is the application of Quality-by-Design (QbD) principles in method development and optimization, ensuring higher reliability and efficiency. Additionally, there is an increasing focus on developing CE methods capable of detecting both achiral and chiral impurities simultaneously, which enhances the comprehensiveness of the analysis. This review seeks to guide future research and development in optimizing CE methodologies for pharmaceutical applications. Full article
(This article belongs to the Special Issue Chemistry: Symmetry/Asymmetry—Feature Papers and Reviews)
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30 pages, 15361 KiB  
Review
Medicinally Significant Enantiopure Compounds from Garcinia Acid Isolated from Garcinia gummi-gutta
by Simimole Haleema, Chithra Gopinath, Zabeera Kallingathodi, Grace Thomas and Prasad L. Polavarapu
Symmetry 2024, 16(10), 1331; https://doi.org/10.3390/sym16101331 - 9 Oct 2024
Viewed by 1067
Abstract
Garcinia gummi-gutta, commonly known as Garcinia cambogia (syn.), is a popular traditional herbal medicine known for its role in treating obesity, and has been incorporated into several nutraceuticals globally for this purpose. The fruit rind is also used as a food preservative [...] Read more.
Garcinia gummi-gutta, commonly known as Garcinia cambogia (syn.), is a popular traditional herbal medicine known for its role in treating obesity, and has been incorporated into several nutraceuticals globally for this purpose. The fruit rind is also used as a food preservative and a condiment because of its high content of hydroxycitric acid, which imparts a sharp, sour flavour. This review highlights the major bioactive compounds present in the tree Garcinia gummi-gutta, with particular emphasis on (2S, 3S)-tetrahydro-3-hydroxy-5-oxo-2,3-furan dicarboxylic acid, commonly referred to as garcinia acid. This acid can be isolated in large amounts through a simple procedure. Additionally, it explores the synthetic transformations of garcinia acid into biologically potent and functionally useful enantiopure compounds, a relatively under-documented area in the literature. This acid, with its six-carbon skeleton, a γ-butyrolactone moiety, and two chiral centres bearing chemically amenable functional groups, offers a versatile framework as a chiron for the construction of diverse molecules of both natural and synthetic origin. The synthesis of chiral 3-substituted and 3,4-disubstituted pyrrolidine-2,5-diones, analogues of the Quararibea metabolite—a chiral enolic-γ-lactone; the concave bislactone skeletons of fungal metabolites (+)-avenaciolide and (−)-canadensolide; the structural skeletons of the furo[2,3-b]furanol part of the anti-HIV drug Darunavir; (−)-tetrahydropyrrolo[2,1-a]isoquinolinones, an analogue of (−)-crispine A; (−)-hexahydroindolizino[8,7-b]indolones, an analogue of the naturally occurring (−)-harmicine; and furo[2,3-b]pyrroles are presented here. Full article
(This article belongs to the Special Issue Chemistry: Symmetry/Asymmetry—Feature Papers and Reviews)
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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: Lie Unitary approach for variational chemical dynamics in quantum computing
Authors: Jorge A. Morales
Affiliation: Texas Tech University, Dept. of Chemistry and Biochemistry 039

Title: Sum-frequency generation spectroscopy at the aqueous electrochemical interface
Authors: Ba Lich Pham; Alireza Ranjbari; Laetitia Dalstein; Christophe Humbert
Affiliation: Univ Paris-Sud, Université Paris-Saclay, Laboratoire de Chimie Physique, CNRS, Batiment 201 P2, 91405 Orsay, France

Title: Synthesis, X-ray diffraction and computational drug-likeness evaluation of new pyrrolo[1,2-a][1,10]phenanthrolines bearing a 9-cyano group
Authors: Mihaela Cristea; Amalia Stefaniu; Marcel Mirel Popa; Sergiu Shova; Constantin Drăghici; Mihai Răducă; Doriana Banu; Florea Dumitrascu
Affiliation: National Institute for R&D in Microtechnology, IMT Bucharest
Abstract: New 9-cyano-pyrrolo[1,2-a][1,10]phenanthrolines 5a–c, obtained by 1,3-dipolar cycloaddition reaction between the corresponding N-ylides of 1,10-phenanthrolinium bromides 2a–c generated in-situ and acrylonitrile as a dipolarophile, were investigated by single-crystal X-ray diffraction and computational studies to assess their druglikeness and evaluate their structure activity properties. The non-covalent interactions present within the supramolecular landscape of the new 9-cyano-pyrrolo[1,2-a][1,10]phenanthrolines were correlated with the SAR investigations with the aim to estimate the propensity for bioactivity of these compounds.

Title: ELECTROCHEMISTRY AND DFT CALCULATION ON TETRAHYDROACRIDINES
Authors: Eleonora-Mihaela Ungureanu
Affiliation: Faculty of Chemical Engineering and Biotechnologies, University “Politehnica” of Bucharest, Gheorghe Polizu 1–7, Romania

Title: Enumeration of n-dimensional hypercube and icosahedral dice based on their Symmetries
Authors: Krishnan Balasubramanian
Affiliation: School of Molecular Sciences Arizona State University Tempe, AZ 85287-1604
Abstract: The Las Vegas/Monte Carlo cubic dice are generalized to construct the combinatorial problem of enumerating n-dimensional hypercube dice and dice of other shapes that exhibit cubic and icosahedral symmetries. By utilizing powerful generating function techniques for various irreducible representations, we derive the combinatorial enumerations of all possible dice in n-dimensional space with hyperoctahedral symmetries. Likewise different shapes that exhibit icosahedral symmetries such as truncated dodecahedron and truncated icosahedron are considered for the combinatorial problem of dice enumerations with the corresponding shapes. We have also considered dice with truncated octahedron, dodecahedron and related shapes. It is shown that all enumerated dice are chiral and we provide the counts of chiral pairs of dice in the n-dimension space. Applications to chirality in n-dimension, molecular clusters, cryptography and biology are also pointed out.

Title: Complete epoxy phosphonate conversion to isomers of 3-hydroxy prop-1-enylphosphonate with photobiocatalysts assistance.
Authors: Sunday Ocholi Samson; Monika Serafin Lewańczuk; Małgorzata Brzezińska-Rodak; Magdalena Klimek-Ochab; Ewa Żymańczyk-Duda
Affiliation: Wrocław university of Sciences and Technology, Faculty of Chemistry, Department of Biochemistry, Molecular Biology and Biotechnology
Abstract: Phosphonates derivatives are compounds of interests and are applied as drugs of e.g. antibacterial antiviral activities, what is connected with their inhibitory activity towards different enzymes, what in turn is in the relation to the configuration of particular chiral compounds. Biological synthesis of such molecules is the method of choice and can be carried on with enzymes or whole-cells of organisms. Photobiocatalysts employed in bioconversion of epoxy dimethyl phosphonate are able to convert this substrate into geometric isomers of the unsaturated product, which is classified as very rare and expensive compound of high added value. Six different strains were screened towards dimethyl epoxy phosphonate and in case of Synechococcus bigranulatus 99% of conversion degree was achieved. Product structure and yield of the reaction were confirmed with Mass Spectroscopy detector (LC/MS); Nuclear Magnetic Resonance (NMR) of isotopes 1H, 13C, and 31P, 2-D NMR; Infrared Spectroscopy (IR).

Title: Fungal biocatalysis in stereoselective oxidation of 2-phenylethanol.
Authors: Agnieszka Raczyńska; Beata Szmigiel-Merena; Małgorzata Brzezińska-Rodak; Magdalena Klimek-Ochab; Ewa Żymańczyk-Duda
Affiliation: Wrocław university of Sciences and Technology, Faculty of Chemistry, Department of Biochemistry, Molecular Biology and Biotechnology
Abstract: Three fungal strains were employed for oxidation of the cheap and commercially available substrate 2-phenylethanol in stereoselective manner to receive chiral building block for chemical applications. Whole-cell biocatalysts were as follows: Beauveria bassiana DSM 1344, Beauveria brongniartii DSM 6651 and Rhizopus arrhizus DSM 1185. The main product of Beauveria bassiana bioconversion, despite the biocatalyst form (fresh cells and immobilized in agar-agar once), was (R)-1-phenylethane-1,2-diol obtained with a high enantiomeric excess (e.g. 80%). This is valuable result, as the one in opposition to the previous studies, where fresh mycelium of Aspergillus niger allowed receiving product of (S) absolute configuration. Considering these, the use of different fungal strains of proven oxidoreductive activity, gives the possibility to consciously control the stereoselectivity of the reaction and allows to obtain a specific, target enantiomer. It is also worth mentioning that the use of another fungus - Rhizopus arrhizus DSM 1185 (immobilized in polyurethane foams), known for its selective hydroxylation on an industrial scale, in this case, resulted in the racemic mixture of 1-phenylethane-1,2-diol production, however it was accompanied by the noticeable tyrosol synthesis on the laboratory scale. Processes are meant to scale with the bioreactors up to 1L.

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