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 872
Special Issue Editor
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
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.
