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| 2. |
- Bravo, L, et al.
(author)
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- 2021
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swepub:Mat__t
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| 3. |
- Tabiri, S, et al.
(author)
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- 2021
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swepub:Mat__t
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| 4. |
- Yousri, Amal, et al.
(author)
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A Novel Na(I) Coordination Complex with s-Triazine Pincer Ligand: Synthesis, X-ray Structure, Hirshfeld Analysis, and Antimicrobial Activity
- 2023
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In: Crystals. - 2073-4352. ; 13:6
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Journal article (peer-reviewed)abstract
- The pincer ligand 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine (bpmt) was used to synthesize the novel [Na(bpmt)(2)][AuCl4] complex through the self-assembly method. In this complex, the Na(I) ion is hexa-coordinated with two tridentate N-pincer ligands (bpmt). The two bpmt ligand units are meridionally coordinated to Na(I) via one short Na-N(s-triazine) and two slightly longer Na-N-(pyrazole) bonds, resulting in a distorted octahedral geometry around the Na(I) ion. In the coordinated bpmt ligand, the s-triazine core is not found to be coplanar with the two pyrazole moieties. Additionally, the two bpmt units are strongly twisted from one another by 64.94 & DEG;. Based on Hirshfeld investigations, the H & BULL;& BULL;& BULL;H (53.4%) interactions have a significant role in controlling the supramolecular arrangement of the [Na(bpmt)(2)][AuCl4] complex. In addition, the Cl & BULL;& BULL;& BULL;H (12.2%), C & BULL;& BULL;& BULL;H (11.5%), N & BULL;& BULL;& BULL;H (9.3%), and O & BULL;& BULL;& BULL;H (4.9%) interactions are significant. Antimicrobial investigations revealed that the [Na(bpmt)(2)][AuCl4] complex has promising antibacterial and antifungal activities. The [Na(bpmt)(2)][AuCl4] complex showed enhanced antibacterial activity for the majority of the studied gram-positive and gram-negative bacteria compared to the free bpmt (MIC = 62.5-125 & mu;g/mL vs. MIC = 62.5-500 & mu;g/mL, respectively) and Amoxicillin (MIC > 500 & mu;g/mL) as a positive control. Additionally, the [Na(bpmt)(2)][AuCl4] complex had better antifungal efficacy (MIC = 125 & mu;g/mL) against C. albicans compared to bpmt (MIC = 500 & mu;g/mL).
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| 5. |
- Yousri, Amal, et al.
(author)
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Synthesis, structure diversity, and antimicrobial studies of Ag(i) complexes with quinoline-type ligands
- 2023
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In: CrystEngComm. - 1466-8033. ; 25:27, s. 3922-3930
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Journal article (peer-reviewed)abstract
- Compounds [Ag(5NO2Qu)2]BF4 (1) and [Ag(Qu3CN)(H2O)]BF4 (2) were prepared and studied from a structural perspective and screened for antimicrobial activity. The Ag(i) in the monomeric complex 1 is coordinated to two 5-nitroquinoline (5NO2Qu) ligands via the N-atoms of the quinoline rings with equidistant Ag-N bonds (2.146(2) Å) and a N-Ag-N# bond angle of 171.42(8)°. The 2D coordination polymer 2 contains tetracoordinated Ag(i) with two N-atoms (N1 and N2#1) from two quinoline-3-carbonitrile (Qu3CN) ligands and two O-atoms (O1 and O1#1) from two water molecules. The Qu3CN ligand acts as a connector between the Ag(i) sites along the b-direction via two short Ag1-N1 (2.185(4) Å) and Ag1-N2#1 (2.204(4) Å) bonds. In addition, the Ag(i) is coordinated with two symmetry related water molecules which are also acting as connectors between the Ag(i) sites along the a-direction via two longer Ag1-O1 (2.470(4) Å) and Ag1-O1#2 (2.546(4) Å) bonds. Hirshfeld surface analysis confirmed the significance of the polar F⋯H contacts in the molecular packing of 1 (25.9%) and 2 (39.9%). In addition, the crystal packing of 1 showed a significant amount of polar O⋯H (23.5%) contacts. Also, both complexes displayed π-π stacking interactions. The Ag(i) complexes and the free ligand were assessed for their antimicrobial activities. It was found that 1 (MIC = 7.8 μg mL−1) and 2 (MIC = 31.25 μg mL−1) have higher antifungal potency against C. albicans than their free ligands (MIC = 125 μg mL−1). Interestingly, 1 has better antifungal activity than the standard nystatin (15.6 μg mL−1). Also, both Ag(i) complexes and the free ligands as well have better activity against P. mirabilis than the common antibiotic amoxicillin.
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| 6. |
- Abu-Youssef, Morsy A. M., et al.
(author)
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Molecular, supramolecular structures combined with hirshfeld and dft studies of centrosymmetric m(Ii)-azido {m=ni(ii), fe(ii) or zn(ii)} complexes of 4-benzoylpyridine
- 2021
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In: Symmetry. - : MDPI AG. - 2073-8994. ; 13:11
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Journal article (peer-reviewed)abstract
- The supramolecular structures of the three metal (II) azido complexes [Fe(4bzpy)4 (N3 )2 ]; 1, [Ni(4bzpy)4 (N3 )2 ]; 2 and [Zn(4bzpy)2 (N3 )2 ]n; 3 with 4-benzoylpyridine (4bzpy) were presented. All complexes contain hexa-coordinated divalent metal ions with a slightly distorted octahedral MN6 coordination sphere. Complexes 1 and 2 are monomeric with terminal azido groups while 3 is one-dimensional coordination polymer containing azido groups with µ(1,1) and µ(1,3) bridging modes of bonding. Hirshfeld analysis was used to quantitatively determine the different contacts affecting the molecular packing in the studied complexes. The most common interactions are the polar O … H and N … H interactions and the hydrophobic C … H contacts. The charges at the M(II) sites are calculated to be 1.004, 0.847, and 1.147 e for complexes 1–3, respectively. The degree of asymmetry is the highest in the case of the terminal azide in complexes 1 and 2 while was found the lowest in the µ(1,1) and µ(1,3) azide bonding modes in the Zn(II) complex 3. These facts were further explained in terms of atoms in molecules (AIM) topological parameters.
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