Conductometry of nano-sized zinc sulfate; synthesis and characterization of new hydrazone complexes: Conformational and in-vitro assay

Alkhamis, Kholood; Alsoliemy, Amerah; Aljohani, Meshari M.; Alrefaei, Abdulmajeed F.; Abumelha, Hana M.; Mahmoud, M. H. H.; Zaky, Rania; El‐Metwaly, Nashwa M.

doi:10.1016/j.molliq.2021.117167

Cited by 26 publications

(8 citation statements)

References 39 publications

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“…This relaxation is attached with emitted radiation which draws the pattern peaks of K-series (Ka1, Ka2, or Kb) or L-series. Such peaks characterize the elements according to the unique electronic configuration of each element, while L-series is the most significant . Also, the wt/at % was determined regarding to the indicator element (heavier element as the metal).…”

Section: Resultsmentioning

confidence: 99%

“…The free radicals (DPPH • ) generated from the DPPH sensor in a polar solvent could be overcome by the two tested complexes which may take a hypothetical symbol of AH. The reaction between the antioxidant compound (AH) and the sensor (DPPH) must follow this reaction; DPPH • + AH → DPPH-H + A • . Therefore, the complex release hydrogen radicals have an antioxidant behavior toward DPPH • and then the concentration of such free radical will decrease leading to low absorption at 517 nm .…”

Section: Resultsmentioning

confidence: 99%

“…Such peaks characterize the elements according to the unique electronic configuration of each element, while L-series is the most significant. 38 Also, the wt/at % was determined regarding to the indicator element (heavier element as the metal). X-ray diffraction (XRD) technique could identify the magnitude of crystallinity of the tested complexes as well as determines the crystal properties of crystalline one.…”

Section: X-ray Analysesmentioning

confidence: 99%

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Synthesis and Characterization of New Mixed-Ligand Complexes; Density Functional Theory, Hirshfeld, and In Silico Assays Strengthen the Bioactivity Performed In Vitro

et al. 2023

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N′-Acetyl-2-cyanoacetohydrazide (H2L1) and 2-cyano-N-(6-ethoxybenzo thiazol-2-yl) acetamide (HL2) ligands were used to synthesize [Cr(OAc)(H2L1)(HL2)]·2(OAc) and [Mn(H2L1)(HL2)]·Cl2·2H2O as mixed ligand complexes. All new compounds were analyzed by analytical, spectral, and computational techniques to elucidate their chemical formulae. The bidentate nature was suggested for each coordinating ligand via ON donors. The electronic transitions recorded are attributing to 4A2g(F) → 4T2g(F)(υ2) and 4A2g(F) → 4T1g(F)(υ3) types in the octahedral Cr(III) complex, while 6A1 → 4T2(G) and 6A1 → 4T1(G) transitions are attributing to the tetrahedral Mn(II) complex. These complexes were optimized by the density functional theory method to verify the bonding mode which was suggested via N(3), O(8), N(9), and N(10) donors from the mixed-ligands. Hirshfeld crystal models were demonstrated for the two ligands to indicate the distance between the functional groups within the two ligands and supporting the exclusion of self-interaction in between. Finally, the biological activity of the two mixed ligand complexes was tested by in silico ways as well as in vitro ways for confirmation. Three advanced programs were applied to measure the magnitude of biological efficiency of the two complexes toward kinase enzyme (3nzs) and breast cancer proliferation (3hy3). All in silico data suggest the superiority of the Mn(II) complex. Moreover, the in vitro assays for the two complexes that measure their antioxidant and cytotoxic activity support the distinguished activity of the Mn(II) complex.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: X-ray Analysesmentioning

confidence: 99%

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Synthesis and Characterization of New Mixed-Ligand Complexes; Density Functional Theory, Hirshfeld, and In Silico Assays Strengthen the Bioactivity Performed In Vitro

et al. 2023

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“…Energy-dispersive X-ray microanalysis (EDX) has being used to confirm the production of selected complexes (i.e. Figures 3) as well as to assess the quantity of elements in the compound (wt %) [37]. The solid specimens (complexes) were placed to a beam of accelerated X-ray photons.…”

Section: Edx and Xrd Studiesmentioning

confidence: 99%

Novel series of thiazole-based complxes; characterization, structural optimization, in-vitro and in-silico assessments against Covid-19 virus compared to Palxlovid drug

Alnefaie¹,

Abou‐Melha²,

El‐Metwaly³

2022

Bull. Chem. Soc. Eth.

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ABSTRACT. New thiazole-based complexes were prepared and suggested to be 1:1 metal to ligand ratio. This formula was built depending on different analyses. Various spectroscopic tools were used to confirm the mode of bonding for the ligand towards the metal ions. The ligand behaved as a neutral bidentate mode towards Cu(II), Co(II) and Ni(II) ions. The DFT method was applied to confirm the nucleophilicity of O(13) and N(2) atoms which qualified for excellent coordination. The new compounds were in-silico tested against 6lu7 and 6lzg as the main protease complex of COVID-19 and the receptor of coronavirus spike, respectively. This is according to the recent use of a thiazole-based compound (ritonavir) in treatment of COVID-19. This study was extended to handle the paxlovid antiviral (nirmatrelvir and ritonavir) in comparing to new compounds. The ritonavir drug as well as the Co(II) complex appeared as promising inhibitors. To deepen the study, we tested the cytotoxicity of the complexes and interestingly, the Co(II) complex showed a vital inhibition for liver and prostate cancers which exceeds 5-fluorouracil drug. KEY WORDS: New complexes, Spectral studies, Molecular modelling, In-silico methods towards COVID-19 Bull. Chem. Soc. Ethiop. 2023, 37(2), 427-447. DOI: https://dx.doi.org/10.4314/bcse.v37i2.13

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“…The ease of manipulating the shape size of pores in MOFs with minor or rare chemical tuning making it attractive in improving the efficiency of the material for various applications [17,18]. In the quest for new adsorbents for CO 2 capture [41][42][43][44][45][46][47][48], we turned our attention to Schiff's base with metal complexes, because they are useful as biologically active compounds [19][20][21][22][23]. In particular, amoxicillin, which is used as an antibiotic to treat various infections, contains different aromatic rings and is characterized by high nitrogen and oxygen contents.…”

Section: Introductionmentioning

confidence: 99%

Investigating CO2 storage properties of Pd(II) and Co(II) chelates of a Schiff's base ligand

Ahmed

Alias

Ahmed

et al. 2023

J.Umm Al-Qura Univ. Appll. Sci.

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A new metal complexes are made from the ligands derived from amoxicillin based Schiff's base coordinated with Pd(II) and Co(II) have been synthesized and characterized via different spectroscopic methods. FT-IR spectroscopy have shown a formation of tetrahedral and square planar geometry for Co(II) and Pd(II) complexes, respectively. Surface morphology was inspected via field emission scanning electron microscopy (FESEM) and atomic force microscopy (AFM). The Brunauer–Emmett–Teller surface area of the metal complexes samples is about 6.63 to 8.71 m2/g, with pore diameters and volume of 0.030–0.0501 cm3/g and 18.39–22.98 nm, respectively. The quadrupole moment of CO2 has a great effect on the adsorption capacity as it is highly diffusible of 21.38, 26.16 cm3.g−1 for Co(II) and Pd(II) complex.

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Conductometry of nano-sized zinc sulfate; synthesis and characterization of new hydrazone complexes: Conformational and in-vitro assay

Cited by 26 publications

References 39 publications

Synthesis and Characterization of New Mixed-Ligand Complexes; Density Functional Theory, Hirshfeld, and In Silico Assays Strengthen the Bioactivity Performed In Vitro

Synthesis and Characterization of New Mixed-Ligand Complexes; Density Functional Theory, Hirshfeld, and In Silico Assays Strengthen the Bioactivity Performed In Vitro

Novel series of thiazole-based complxes; characterization, structural optimization, in-vitro and in-silico assessments against Covid-19 virus compared to Palxlovid drug

Investigating CO2 storage properties of Pd(II) and Co(II) chelates of a Schiff's base ligand

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