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Comparison of Structural, Spectroscopic, Theoretical and Thermal Properties of Metal Complexes and Their Application

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Materials Chemistry".

Deadline for manuscript submissions: closed (20 July 2022) | Viewed by 7505

Special Issue Editor

Dr. Monika Kalinowska

E-Mail Website
Guest Editor
Department of Chemistry, Biology and Biotechnology, Institute of Environmental Engineering and Energetics, Faculty of Civil Engineering and Environmental Sciences, Białystok University of Technology, Wiejska 45E Street, 15-351 Bialystok, Poland
Interests: polyphenols; metal–base complexes; structural and coordination chemistry; antioxidant and antimicrobial agents; plant extracts; spectroscopy; HPLC
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

New materials based on metal complexes are of increasing significance and find application in diverse areas of science and industry such as antioxidant, anti-cancer, antimicrobial, antiviral or insecticidal agents, metalloenzyme models, dyes, radiopharmaceuticals, liquid crystals, nanomaterials, supramolecular structures, catalysts, conducting and magnetic molecular materials, molecular switches and optoelectronics. The structural diversity of mono- and multinuclear metal complexes enables the design of molecules with the desired physico-chemical or biological properties, which may serve as functional materials. Comprehensive structural characterization of new materials is the most important stage in the design of chemicals with desired properties. The Special Issue is focused on  the structural, spectroscopic, theoretical and thermal properties of new metal complexes and their application in chemical, food, pharmaceutical, electronic and other industries. Therefore, papers describing studies on metal complexes using the following research methods are welcome:

  • Single crystal X-ray diffraction, element analysis, Fourier-transform infrared spectroscopy (FT-IR), Fourier-transform Raman spectroscopy (FT-Raman), ultraviolet–visible spectrophotometry (UV–Vis), nuclear magnetic resonance spectroscopy (1H and 13C NMR), electron paramagnetic resonance (EPR) or electron spin resonance (ESR) spectroscopy, fluorescence, phosphorescence and chemiluminescence spectroscopy or other spectroscopic methods;
  • Thermal properties using  thermogravimetric analysis (TGA), differential scanning calorimetry (DSC) and differential thermal analysis (DTA);
  • Quantum mechanical calculations and molecular docking calculations.

Moreover, studies related to the biomedical, environmental, agricultural, electro-optic and industrial applications of metal complexes are an important part of this Special Issue. We strongly invite research articles and reviews dealing with the aforementioned topics from the whole scientific community gathering around these themes.

Prof. Dr. Monika Kalinowska
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. Materials 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 2600 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

  • metal complexes
  • structural, spectroscopic and/or thermal characterization
  • quantum-chemical calculations, molecular docking calculations
  • supramolecular chemistry
  • biologically active agents
  • electro-optics
  • nanomaterials
  • catalysts
  • functional materials

Published Papers (3 papers)

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Research

21 pages, 4490 KiB  
Article
Fe(III) and Cu(II) Complexes of Chlorogenic Acid: Spectroscopic, Thermal, Anti-/Pro-Oxidant, and Cytotoxic Studies
by Monika Kalinowska, Kamila Gryko, Ewelina Gołębiewska, Grzegorz Świderski, Hanna Lewandowska, Marek Pruszyński, Małgorzata Zawadzka, Maciej Kozłowski, Justyna Sienkiewicz-Gromiuk and Włodzimierz Lewandowski
Materials 2022, 15(19), 6832; https://0-doi-org.brum.beds.ac.uk/10.3390/ma15196832 - 01 Oct 2022
Cited by 1 | Viewed by 1903
Abstract
Complexes of chlorogenic acid (5-CQA) with copper(II) and iron(III) were synthesized in a solid state and examined by means of FT-IR, thermogravimetric, and elemental analyses. The molar stoichiometric ratios of metal:ligand for the solid forms of the complexes were established as Cu(II):L = [...] Read more.
Complexes of chlorogenic acid (5-CQA) with copper(II) and iron(III) were synthesized in a solid state and examined by means of FT-IR, thermogravimetric, and elemental analyses. The molar stoichiometric ratios of metal:ligand for the solid forms of the complexes were established as Cu(II):L = 1:2 and Fe(III):L = 2:3 (L: 5-CQA), with the possible coordination through the carboxylate group and the hydroxyl group from the catechol moiety. In an aqueous solution at pH = 7.4, the composition of the complexes was Cu(II):L = 1:1, and Fe(III):L = 1:1 and 1:2. The Cu(II) and Fe(III) complexes with 5-CQA showed lower antioxidant properties, as estimated by the spectrophotometric methods with DPPH•, ABTS•+, and HO• radicals, than the ligand alone, whereas in the lipid peroxidation inhibition assay, the metal complexes revealed a higher antioxidant activity than 5-CQA. Cu(II) 5-CQA showed the highest pro-oxidant activity in the Trolox oxidation assays compared to the other studied compounds. The lipophilic parameters of the compounds were estimated using the HPLC method. 5-CQA and its complexes with Fe(III) and Cu(II) were not toxic to HaCaT cells in a tested concentration range of 0.15–1000 nM after a 24 h incubation time. Full article
(This article belongs to the Special Issue Comparison of Structural, Spectroscopic, Theoretical and Thermal Properties of Metal Complexes and Their Application)
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22 pages, 7081 KiB  
Article
Spectroscopic, Thermal, Microbiological, and Antioxidant Study of Alkali Metal 2-Hydroxyphenylacetates
by Mariola Samsonowicz, Ewelina Gołębiewska, Elżbieta Wołejko, Urszula Wydro, Grzegorz Świderski, Joanna Zwolińska, Monika Kalinowska and Włodzimierz Lewandowski
Materials 2021, 14(24), 7824; https://0-doi-org.brum.beds.ac.uk/10.3390/ma14247824 - 17 Dec 2021
Cited by 1 | Viewed by 2081
Abstract
The structural, spectral, thermal, and biological properties of hydroxyphenylacetic acid and lithium, sodium, potassium, rubidium, and cesium 2-hydroxyphenylacetates were analyzed by means of infrared spectroscopy FT-IR, electronic absorption spectroscopy UV-VIS, nuclear magnetic resonance 1H and 13C NMR, thermogravimetric analysis (TG/DSC), and [...] Read more.
The structural, spectral, thermal, and biological properties of hydroxyphenylacetic acid and lithium, sodium, potassium, rubidium, and cesium 2-hydroxyphenylacetates were analyzed by means of infrared spectroscopy FT-IR, electronic absorption spectroscopy UV-VIS, nuclear magnetic resonance 1H and 13C NMR, thermogravimetric analysis (TG/DSC), and quantum-chemical calculations at B3LYP/6-311++G** level. Moreover, the antioxidant (ABTS, FRAP, and CUPRAC assays), antibacterial (against E. coli, K. aerogenes, P. fluorescens, and B. subtilis) and antifungal (against C. albicans) properties of studied compounds were measured. The effect of alkali metal ions on the structure, thermal, and biological properties of 2-hydroxyphenylacetates was discussed. Full article
(This article belongs to the Special Issue Comparison of Structural, Spectroscopic, Theoretical and Thermal Properties of Metal Complexes and Their Application)
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21 pages, 4297 KiB  
Article
Synthesis, Spectroscopic, and Theoretical Study of Copper and Cobalt Complexes with Dacarbazine
by Grzegorz Świderski, Ryszard Łaźny, Michał Sienkiewicz, Monika Kalinowska, Renata Świsłocka, Ali Osman Acar, Aleksandra Golonko, Marzena Matejczyk and Włodzimierz Lewandowski
Materials 2021, 14(12), 3274; https://0-doi-org.brum.beds.ac.uk/10.3390/ma14123274 - 13 Jun 2021
Cited by 6 | Viewed by 2636
Abstract
Dacarbazine (DAC) 5-(3,3-dimethyl-1-triazenyl)imidazole-4-carboxamide is an imidazole-carboxamide derivative that is structurally related to purines. DAC belongs to the triazene compounds, which are a group of alkylating agents with antitumor and mutagenic properties. DAC is a non-cell cycle specific drug, active in all phases of [...] Read more.
Dacarbazine (DAC) 5-(3,3-dimethyl-1-triazenyl)imidazole-4-carboxamide is an imidazole-carboxamide derivative that is structurally related to purines. DAC belongs to the triazene compounds, which are a group of alkylating agents with antitumor and mutagenic properties. DAC is a non-cell cycle specific drug, active in all phases of the cellular cycle. In the frame of this work the 3d metal complexes (cobalt and copper) with dacarbazine were synthesized. Their spectroscopic properties by the use of FT-IR, FT-Raman, and 1HNMR were studied. The structures of dacarbazine and its complexes with copper(II) and cobalt(II) were calculated using DFT methods. The effect of metals on the electronic charge distribution of dacarbazine was discussed on the basis of calculated NBO atomic charges. The reactivity of metal complexes in relation to ligand alone was estimated on the basis of calculated energy of HOMO and LUMO orbitals. The aromaticity of the imidazole ring in dacarbazine and the complexes were compared (on the basis of calculated geometric indices of aromaticity). Thermal stability of the investigated 3d-metal complexes with dacarbazine and the products of their thermal decomposition were analyzed. Full article
(This article belongs to the Special Issue Comparison of Structural, Spectroscopic, Theoretical and Thermal Properties of Metal Complexes and Their Application)
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