Double Palindrome Water Chain in Cu(II) Theophylline Complex. Synthesis, Characterization, Biological Activity of Cu(II), Zn(II) Complexes with Theophylline

Double Palindrome Water Chain in Cu(II) Theophylline Complex. Synthesis, Characterization, Biological Activity of Cu(II), Zn(II) Complexes with Theophylline

Two metal complexes of theophylline were synthesized. Namely, <b>1</b> with the formula [Cu(theop)<sub>2</sub>(H<sub>2</sub>O)<sub>3</sub>]&#183;2H<sub>2</sub>O and <b>2</b>, [Zn(theop)<sub>2</sub>]∙H<sub>2...

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Main Authors: Michał Gacki, Karolina Kafarska, Anna Pietrzak, Izabela Korona-Głowniak, Wojciech M. Wolf
Format: Article
Language:English
Published: MDPI AG 2020-02-01
Series:Crystals
Subjects:
coordination complex
theophylline-complex
crystal structure
hirshfeld surface analysis
palindrome water chain
antioxidant activity
Online Access:https://www.mdpi.com/2073-4352/10/2/97
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spelling doaj-fb930dbd925c4330835ea427de9446562020-11-25T01:40:00ZengMDPI AGCrystals2073-43522020-02-011029710.3390/cryst10020097cryst10020097Double Palindrome Water Chain in Cu(II) Theophylline Complex. Synthesis, Characterization, Biological Activity of Cu(II), Zn(II) Complexes with TheophyllineMichał Gacki0Karolina Kafarska1Anna Pietrzak2Izabela Korona-Głowniak3Wojciech M. Wolf4Institute of General and Ecological Chemistry, Faculty of Chemistry, Lodz University of Technology, 116 Zeromskiego Street, 90-924 Lodz, PolandInstitute of General and Ecological Chemistry, Faculty of Chemistry, Lodz University of Technology, 116 Zeromskiego Street, 90-924 Lodz, PolandInstitute of General and Ecological Chemistry, Faculty of Chemistry, Lodz University of Technology, 116 Zeromskiego Street, 90-924 Lodz, PolandDepartment of Pharmaceutical Microbiology, Medical University of Lublin, Chodzki 1, 20-093 Lublin, PolandInstitute of General and Ecological Chemistry, Faculty of Chemistry, Lodz University of Technology, 116 Zeromskiego Street, 90-924 Lodz, PolandTwo metal complexes of theophylline were synthesized. Namely, <b>1</b> with the formula [Cu(theop)<sub>2</sub>(H<sub>2</sub>O)<sub>3</sub>]&#183;2H<sub>2</sub>O and <b>2</b>, [Zn(theop)<sub>2</sub>]∙H<sub>2</sub>O (where: theop = theophylline ion). Their properties were thoroughly investigated by the elemental analysis (EA), flame atomic absorption spectrometry (FAAS), Fourier-transform infrared spectroscopy (FTIR), and thermogravimetric analysis (TGA) that were augmented by antimicrobial and antioxidant analyses. Their radical scavenging ability (RSA) is notably higher than that of a pure theophylline itself. Similarly to theophylline complexes already studied by us <b>3</b>, [Mn(theop)<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>] <b>4</b>, [Co(theop)<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>] and <b>5</b>, [Ni(theop)<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>] title compounds are inactive against Gram-negative bacteria, but they show moderate or mild activity against Gram-positive rods. The low temperature, single crystal X-ray diffraction technique determines the crystal structure of <b>1</b>. Its supramolecular crystal topology is affected by the unique, double palindrome water chain that formed by two conserved and a sole coordinated water molecules. Crystal packing arrangements were characterized by fingerprint plots that were derived from the Hirshfeld surfaces (HS), as calculated for all structures in the series <b>1</b>, <b>3</b>, <b>4</b>, <b>5</b>.https://www.mdpi.com/2073-4352/10/2/97coordination complextheophylline-complexcrystal structurehirshfeld surface analysispalindrome water chainantioxidant activity
collection DOAJ
language English
format Article
sources DOAJ
author Michał Gacki
Karolina Kafarska
Anna Pietrzak
Izabela Korona-Głowniak
Wojciech M. Wolf
spellingShingle Michał Gacki
Karolina Kafarska
Anna Pietrzak
Izabela Korona-Głowniak
Wojciech M. Wolf
Double Palindrome Water Chain in Cu(II) Theophylline Complex. Synthesis, Characterization, Biological Activity of Cu(II), Zn(II) Complexes with Theophylline
Crystals
coordination complex
theophylline-complex
crystal structure
hirshfeld surface analysis
palindrome water chain
antioxidant activity
author_facet Michał Gacki
Karolina Kafarska
Anna Pietrzak
Izabela Korona-Głowniak
Wojciech M. Wolf
author_sort Michał Gacki
title Double Palindrome Water Chain in Cu(II) Theophylline Complex. Synthesis, Characterization, Biological Activity of Cu(II), Zn(II) Complexes with Theophylline
title_short Double Palindrome Water Chain in Cu(II) Theophylline Complex. Synthesis, Characterization, Biological Activity of Cu(II), Zn(II) Complexes with Theophylline
title_full Double Palindrome Water Chain in Cu(II) Theophylline Complex. Synthesis, Characterization, Biological Activity of Cu(II), Zn(II) Complexes with Theophylline
title_fullStr Double Palindrome Water Chain in Cu(II) Theophylline Complex. Synthesis, Characterization, Biological Activity of Cu(II), Zn(II) Complexes with Theophylline
title_full_unstemmed Double Palindrome Water Chain in Cu(II) Theophylline Complex. Synthesis, Characterization, Biological Activity of Cu(II), Zn(II) Complexes with Theophylline
title_sort double palindrome water chain in cu(ii) theophylline complex. synthesis, characterization, biological activity of cu(ii), zn(ii) complexes with theophylline
publisher MDPI AG
series Crystals
issn 2073-4352
publishDate 2020-02-01
description Two metal complexes of theophylline were synthesized. Namely, <b>1</b> with the formula [Cu(theop)<sub>2</sub>(H<sub>2</sub>O)<sub>3</sub>]&#183;2H<sub>2</sub>O and <b>2</b>, [Zn(theop)<sub>2</sub>]∙H<sub>2</sub>O (where: theop = theophylline ion). Their properties were thoroughly investigated by the elemental analysis (EA), flame atomic absorption spectrometry (FAAS), Fourier-transform infrared spectroscopy (FTIR), and thermogravimetric analysis (TGA) that were augmented by antimicrobial and antioxidant analyses. Their radical scavenging ability (RSA) is notably higher than that of a pure theophylline itself. Similarly to theophylline complexes already studied by us <b>3</b>, [Mn(theop)<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>] <b>4</b>, [Co(theop)<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>] and <b>5</b>, [Ni(theop)<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>] title compounds are inactive against Gram-negative bacteria, but they show moderate or mild activity against Gram-positive rods. The low temperature, single crystal X-ray diffraction technique determines the crystal structure of <b>1</b>. Its supramolecular crystal topology is affected by the unique, double palindrome water chain that formed by two conserved and a sole coordinated water molecules. Crystal packing arrangements were characterized by fingerprint plots that were derived from the Hirshfeld surfaces (HS), as calculated for all structures in the series <b>1</b>, <b>3</b>, <b>4</b>, <b>5</b>.
topic coordination complex
theophylline-complex
crystal structure
hirshfeld surface analysis
palindrome water chain
antioxidant activity
url https://www.mdpi.com/2073-4352/10/2/97
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