Synthesis, characterisation and biological activities of mixed ligand oxovanadium (IV) complexes derived from N,N-diethyl-N′-para-substituted-benzoylthiourea and hydrotris(3,5-dimethylpyrazolyl)borate
A series of oxovanadium (IV) complexes namely, [Tp*VOL1], [Tp*VOL2], [Tp*VOL3], [Tp*VOL4] and [Tp*VOL5] (where Tp = hydrotris(3,5-dimethylpyrazolyl)borate, HL1 = 1-benzoyl-3,3-diethylthiourea, HL2 = 1-(4-chlorobenzoyl)-3,3-diethylthiourea, HL3 = 1,1-diethyl-3-(4-methoxybenzoyl)thiourea, HL4 = 1,1-di...
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| Format: | Article |
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Wiley
2022
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| Online Access: | http://psasir.upm.edu.my/id/eprint/103396/ |
| _version_ | 1848864008393719808 |
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| author | Al-abbasi, Aisha A. Mohamed Tahir, Mohamed Ibrahim Kayed, Safa Faris Kassim, Mohammad |
| author_facet | Al-abbasi, Aisha A. Mohamed Tahir, Mohamed Ibrahim Kayed, Safa Faris Kassim, Mohammad |
| author_sort | Al-abbasi, Aisha A. |
| building | UPM Institutional Repository |
| collection | Online Access |
| description | A series of oxovanadium (IV) complexes namely, [Tp*VOL1], [Tp*VOL2], [Tp*VOL3], [Tp*VOL4] and [Tp*VOL5] (where Tp = hydrotris(3,5-dimethylpyrazolyl)borate, HL1 = 1-benzoyl-3,3-diethylthiourea, HL2 = 1-(4-chlorobenzoyl)-3,3-diethylthiourea, HL3 = 1,1-diethyl-3-(4-methoxybenzoyl)thiourea, HL4 = 1,1-diethyl-3-(4-nitrobenzoyl)thiourea, HL5 = N-(diethylcarbamothioyl)biphenyl-4-carboxamide) were prepared and characterised on the basis of mass spectrometry, elemental analysis and spectroscopy techniques (IR, UV–Vis and electron paramagnetic resonance, EPR) and mass spectrometry. The crystal structure of [Tp*VOL3] was elucidated from single crystal X-ray diffraction study and the crystals adopted a triclinic system with a P-1 (Z = 2) space group and unit cell parameters of a = 10.4953(4), b = 11.5290(5) and c = 15.0656(7) Å. The cyclic voltammetry showed a reversible oxidation of V (IV)/V(V) at about 0.50 V (vs Fc+/Fc). The HOMO and LUMO of benzoylthiourea were established by theoretical calculation based on DFT level using B3LYP method and a double numeric plus polarisation (DNP) basis set. The in vitro tests for antimicrobial activity showed that the complexes have a moderate inhibitory effect. The complex [Tp*VOL1] exhibited cytotoxic activity against the human hepatocellular carcinoma cell line (HepG2) at the concentration of 20 mg ml−1. However, no cytotoxic activity was observed against the Chang liver cells. |
| first_indexed | 2025-11-15T13:41:59Z |
| format | Article |
| id | upm-103396 |
| institution | Universiti Putra Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-15T13:41:59Z |
| publishDate | 2022 |
| publisher | Wiley |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | upm-1033962023-06-12T03:30:54Z http://psasir.upm.edu.my/id/eprint/103396/ Synthesis, characterisation and biological activities of mixed ligand oxovanadium (IV) complexes derived from N,N-diethyl-N′-para-substituted-benzoylthiourea and hydrotris(3,5-dimethylpyrazolyl)borate Al-abbasi, Aisha A. Mohamed Tahir, Mohamed Ibrahim Kayed, Safa Faris Kassim, Mohammad A series of oxovanadium (IV) complexes namely, [Tp*VOL1], [Tp*VOL2], [Tp*VOL3], [Tp*VOL4] and [Tp*VOL5] (where Tp = hydrotris(3,5-dimethylpyrazolyl)borate, HL1 = 1-benzoyl-3,3-diethylthiourea, HL2 = 1-(4-chlorobenzoyl)-3,3-diethylthiourea, HL3 = 1,1-diethyl-3-(4-methoxybenzoyl)thiourea, HL4 = 1,1-diethyl-3-(4-nitrobenzoyl)thiourea, HL5 = N-(diethylcarbamothioyl)biphenyl-4-carboxamide) were prepared and characterised on the basis of mass spectrometry, elemental analysis and spectroscopy techniques (IR, UV–Vis and electron paramagnetic resonance, EPR) and mass spectrometry. The crystal structure of [Tp*VOL3] was elucidated from single crystal X-ray diffraction study and the crystals adopted a triclinic system with a P-1 (Z = 2) space group and unit cell parameters of a = 10.4953(4), b = 11.5290(5) and c = 15.0656(7) Å. The cyclic voltammetry showed a reversible oxidation of V (IV)/V(V) at about 0.50 V (vs Fc+/Fc). The HOMO and LUMO of benzoylthiourea were established by theoretical calculation based on DFT level using B3LYP method and a double numeric plus polarisation (DNP) basis set. The in vitro tests for antimicrobial activity showed that the complexes have a moderate inhibitory effect. The complex [Tp*VOL1] exhibited cytotoxic activity against the human hepatocellular carcinoma cell line (HepG2) at the concentration of 20 mg ml−1. However, no cytotoxic activity was observed against the Chang liver cells. Wiley 2022 Article PeerReviewed Al-abbasi, Aisha A. and Mohamed Tahir, Mohamed Ibrahim and Kayed, Safa Faris and Kassim, Mohammad (2022) Synthesis, characterisation and biological activities of mixed ligand oxovanadium (IV) complexes derived from N,N-diethyl-N′-para-substituted-benzoylthiourea and hydrotris(3,5-dimethylpyrazolyl)borate. Applied Organometallic Chemistry, 36 (4). art. no. 6607. pp. 1-6. ISSN 0268-2605; ESSN: 1099-0739 https://onlinelibrary.wiley.com/doi/10.1002/aoc.6607 10.1002/aoc.6607 |
| spellingShingle | Al-abbasi, Aisha A. Mohamed Tahir, Mohamed Ibrahim Kayed, Safa Faris Kassim, Mohammad Synthesis, characterisation and biological activities of mixed ligand oxovanadium (IV) complexes derived from N,N-diethyl-N′-para-substituted-benzoylthiourea and hydrotris(3,5-dimethylpyrazolyl)borate |
| title | Synthesis, characterisation and biological activities of mixed ligand oxovanadium (IV) complexes derived from N,N-diethyl-N′-para-substituted-benzoylthiourea and hydrotris(3,5-dimethylpyrazolyl)borate |
| title_full | Synthesis, characterisation and biological activities of mixed ligand oxovanadium (IV) complexes derived from N,N-diethyl-N′-para-substituted-benzoylthiourea and hydrotris(3,5-dimethylpyrazolyl)borate |
| title_fullStr | Synthesis, characterisation and biological activities of mixed ligand oxovanadium (IV) complexes derived from N,N-diethyl-N′-para-substituted-benzoylthiourea and hydrotris(3,5-dimethylpyrazolyl)borate |
| title_full_unstemmed | Synthesis, characterisation and biological activities of mixed ligand oxovanadium (IV) complexes derived from N,N-diethyl-N′-para-substituted-benzoylthiourea and hydrotris(3,5-dimethylpyrazolyl)borate |
| title_short | Synthesis, characterisation and biological activities of mixed ligand oxovanadium (IV) complexes derived from N,N-diethyl-N′-para-substituted-benzoylthiourea and hydrotris(3,5-dimethylpyrazolyl)borate |
| title_sort | synthesis, characterisation and biological activities of mixed ligand oxovanadium (iv) complexes derived from n,n-diethyl-n′-para-substituted-benzoylthiourea and hydrotris(3,5-dimethylpyrazolyl)borate |
| url | http://psasir.upm.edu.my/id/eprint/103396/ http://psasir.upm.edu.my/id/eprint/103396/ http://psasir.upm.edu.my/id/eprint/103396/ |