Ultrasound-assisted synthesis of two novel [CuBr(diamine)2·H2O]Br complexes: Solvatochromism, crystal structure, physicochemical, Hirshfeld surface thermal, DNA/binding, antitumor and antibacterial activities

Ismail Warad; Firas F Awwadi; Bahaa Abd Al-Ghani; Ashraf Sawafta; Naveen Shivalingegowda; Neartur Krishnappagowda Lokanath; Mohammad S Mubarak; Taibi Ben Hadda; Abdelkader Zarrouk; Fuad Al-Rimawi; Abdallah Bani Odeh; Sameer A Barghouthi

doi:10.1016/j.ultsonch.2018.05.009

Ultrasound-assisted synthesis of two novel [CuBr(diamine)₂·H₂O]Br complexes: Solvatochromism, crystal structure, physicochemical, Hirshfeld surface thermal, DNA/binding, antitumor and antibacterial activities

Ultrason Sonochem. 2018 Nov:48:1-10. doi: 10.1016/j.ultsonch.2018.05.009. Epub 2018 May 12.

Affiliations

¹ Department of Chemistry, Science College, An-Najah National University, P.O. Box 7, Nablus, Palestine. Electronic address: warad@najah.edu.
² Department of Chemistry, The University of Jordan, Amman 11942, Jordan.
³ Department of Chemistry, Science College, An-Najah National University, P.O. Box 7, Nablus, Palestine.
⁴ Biology and Biotechnology Department, AN-Najah National University, P.O. Box 7, Nablus, Palestine.
⁵ Department of Physics, School of Engineering and Technology, Jain University, Bangalore 562 112, India.
⁶ Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006, India.
⁷ Laboratoire Chimie Matériaux, FSO, Université Mohammed 1ER, Oujda 60000, Morocco.
⁸ Department of Chemistry, Faculty of Science and Technology, Al-Quds University, P.O. Box 20002, Al-Quds, Palestine.
⁹ Department of Medical Laboratory Sciences, Faculty of Health Professions, Al Quds University, Al Quds, Palestine.

PMID: 30080530
DOI: 10.1016/j.ultsonch.2018.05.009

Abstract

Two new hydrated monocationic Cu(II) complexes with 1,3-propylenediamine and 1,2-ethylenediamine of general formula [CuBr(N-N)₂·H₂O]Br were prepared. The complexes were identified by means of several spectroscopic tools (Uv-visible, IR and MS), thermally (TG/DTA) and CHN-elemental analysis. The three dimensional structure for complex A and B was provide by X-ray diffraction studies and showed the Cu(II) ion as 4 + 1 + 1 coordinated, four nitrogen atoms of the diamine ligands, one bromide ion and one H₂O semi-coordinated to the Cu(II) center, a typical trans effect is clearly observed in the two complexes. The molecular crystal structures are linked via several H-bonds like N_H…Br and N_H…O. Additionally, intra-molecular H-bonds of kind C_H…Br is observed; these interactions lead to crystal structure three dimensional architecture packing. Hirshfeld surfaces (HSA) analysis was served to figure out the inter-contacts and fingerprints atoms percentage. DNA-binding, antitumor and antibacterial effectiveness of the desired complexes were evaluated.

Keywords: Antitumor activity; Cu(II) complexes; DNA; Diamine; Hirshfeld surfaces; Spectral; XRD.

MeSH terms

Anti-Bacterial Agents / chemistry*
Anti-Bacterial Agents / pharmacology
Antineoplastic Agents / chemistry*
Antineoplastic Agents / pharmacology
Bromides / chemistry*
Coordination Complexes / chemistry*
Coordination Complexes / pharmacology
Copper / chemistry*
Crystallography, X-Ray
DNA / chemistry*
Diamines / chemistry
Hydrogen Bonding
Mass Spectrometry
Molecular Structure
Spectrophotometry, Infrared
Spectrophotometry, Ultraviolet
Ultrasonic Waves*
Water / chemistry

Substances

Anti-Bacterial Agents
Antineoplastic Agents
Bromides
Coordination Complexes
Diamines
Water
cupric bromide
Copper
DNA