Zn(II)-isatin-3-thiosemicarbazone complexes with phosphines or diamines for hydrogen storage and anticancer studies

Al-Doori, Luma A.; Irzoqi, Ahmed A.; Jirjes, Hayfa M.; AL-Obaidi, Ali H.; Alheety, Mustafa A.

doi:10.1016/j.inoche.2022.109454

Cited by 18 publications

(11 citation statements)

References 46 publications

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“…In the Cu (II)L1 and Zn (II)L1 spectra, v (C=N) is slightly shifted toward lower frequencies, most likely because of the dative coordination of azomethine and metal ions (Figures S8 and S9). 20 The decrease in frequency revealed a weakening of the C=N bond length upon coordination, which was caused by a decrease in the π‐electron density due to an inductive effect 21 . The v (C=O) in ligand vibrates at 1695 cm −1 region and in Zn (II)L1 at 1694 cm −1 .…”

Section: Resultsmentioning

confidence: 99%

Synthesis of new Cu (II) and Zn (II) complexes derived from isatin‐3‐thiosemicarbazone: X‐ray, anticancer activity, molecular docking, ADMET study, and quantum chemical calculations

Mohamad Rodzi,

Mohd Tajuddin,

Sirat

et al. 2023

Applied Organom Chemis

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The current work aimed to synthesize new mononuclear Cu (II) and Zn (II) complexes derived from isatin‐based thiosemicarbazide, (Z)‐N‐methyl‐2‐(2‐oxoindolin‐3‐ylidene)hydrazinecarbothioamide ligand (L1) using the reflux conventional method. Structural characterization for the synthesized compounds was achieved via elemental analyses, spectroscopic analysis, magnetic susceptibility, molar conductivity, and thermal analysis. The compounds were further explored for their prospective anticancer properties with the aid of in silico methodology. Complexation of metal centers with L1 was observed using the shifting of the v(C=N) peak to lower frequencies and the emergence of new peaks in the range of 454–512 cm−1 assigned to v(M‐N) and v(M‐O). The non‐electrolytic character of Cu2+ and Zn2+ compounds was displayed by their low molar conductivities. Quantum chemical calculations were employed to investigate the electronic and molecular properties of the complexes. The frontier molecular orbitals were performed by density functional theory (DFT) calculations to provide valuable information regarding their molecular orbitals, reactivity indices, and electronic structures, assisting in understanding their structure–activity relationships and potential mechanisms of action. Additionally, molecular docking was carried out to comprehend the interaction of the compounds with the selected enzyme and determine their potential binding mode and energy. Meanwhile, the ADMET study exhibited that all of the compounds possess good oral bioavailability suggesting potent and suitable anticancer drug candidates. All the compounds were tested against human leukemia K562 cancer cell line and human fibroblasts Hs27 cell line. Overall, this comprehensive study highlights the synthesis, characterization, anticancer activity, molecular docking, ADMET evaluation, and quantum chemical calculations of new Cu (II) and Zn (II) complexes derived from isatin‐3‐thiosemicarbazone.

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Section: Resultsmentioning

confidence: 99%

Synthesis of new Cu (II) and Zn (II) complexes derived from isatin‐3‐thiosemicarbazone: X‐ray, anticancer activity, molecular docking, ADMET study, and quantum chemical calculations

Mohamad Rodzi,

Mohd Tajuddin,

Sirat

et al. 2023

Applied Organom Chemis

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“…As a promote effort to obtain direct experimental proof for the dimeric and the labile nature of [Ag(bit) (diphos)] 2 complexes in solution, the 31 P { 1 H}-NMR spectrum of mixed (dppe/dppp) ligands complex was measured. It was anticipated that an exchange of phosphines occurred between [Ag(bit)(dppe)] 2 and [Ag(bit)(dppp)] 2 complexes.…”

Section: The Dimeric and The Labile Nature Of [Ag(bit)(diphos)] 2 Com...mentioning

confidence: 99%

“…The synthesis of attapulgite‐MnO 2 nanocomposites from manganese complexes, presented by Allawi et al, 30 emphasizes the role of ultrasound in enhancing hydrogen storage. Al‐Doori et al 31 explore the hydrogen storage potential of Zn (II)‐isatin‐3‐thiosemicarbazone complexes, incorporating phosphines or diamines. Alheety et al 32 introduce a polymeric silver (I) benzisothiazolinone complex, showcasing its synthesis, characterization, and hydrogen gas storage capacity.…”

Section: Introductionmentioning

confidence: 99%

Labile silver(I) complexes with benzisothiazolinone anion and phosphines: Synthesis, characterization and hydrogen storage application

Alheety,

Aljibori,

Nuaman

et al. 2024

Energy Storage

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A silver complex was prepared with benzisothiazolinone ligand, which was used to prepare new phosphorus‐rich complexes with dppe and dppp. All complexes were diagnosed by FTIR, 1H‐NMR, 31P‐NMR, CHN, and molar conductivity. The results proved that phosphines were labile, therefore 31P‐NMR was measured by cryoprotection at different temperatures. As a promoted effort to obtain direct experimental proof for the dimeric and the labile nature of [Ag(bit)(diphos)]2 complexes in solution, the 31P{1H}‐NMR spectrum of mixed (dppe/dppp) ligand complexes was measured. It was anticipated that an exchange of phosphines occurred between [Ag(bit)(dppe)]2 and [Ag(bit)(dppp)]2 complexes. However, a distribution of the dppp and dppe should result, and complex with compositions of [Ag2(bit)2(dppe)(dppp)] will be formed. The phosphine‐containing complexes were used in hydrogen storage study. The results proved that hydrogen storage values were initially similar for [Ag(bit)(dppp)]2 and [Ag(bit)(dppe)]2, but increased significantly for [Ag(bit)(dppe)]2 at higher pressures to reach 4.35 wt% at 90 bar.

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“…Among these are carbon nanomaterials such as graphene oxide, reduced graphene oxide, graphene, and carbon nanotubes, which have been widely studied due to their high surface area and strong adsorption properties 16‐18 . Additionally, metal‐organic frameworks, small porous polymers, polymeric nanocomposites, and certain classes of inorganic complexes have also been explored 19‐34 …”

Section: Introductionmentioning

confidence: 99%

“…[16][17][18] Additionally, metal-organic frameworks, small porous polymers, polymeric nanocomposites, and certain classes of inorganic complexes have also been explored. [19][20][21][22][23][24][25][26][27][28][29][30][31][32][33][34] Graphene oxide, in particular, has garnered significant attention in recent years due to its unique properties, such as its large surface area and high mechanical strength. It has been shown to be an effective material for hydrogen storage with high capacity and good reversibility.…”

Section: Introductionmentioning

confidence: 99%

Enhanced hydrogen storage capacity of graphene oxide through doping with copper ferrite nanoparticles

Hammoodi,

Mohammed,

Majeed

et al. 2024

Energy Storage

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The aim of this study was to prepare and characterize nanocomposites consisting of graphene oxide (GO) and copper ferrite (CuFe2O4) in different doping ratios (1%‐5%) and investigate their potential for storing hydrogen gas. The prepared nanocomposites were characterized using FTIR, XRD, SEM, and TEM. The results showed that hydrogen storage at 20°C was not possible with GO alone, but the incorporation of different proportions of copper ferrite nanoparticles significantly improved the hydrogen storage properties of the composite materials. The optimal percentage of copper ferrite was found to be around 3%, and it was observed that the percentage of ferrite added is crucial in determining the hydrogen storage properties of the nanocomposites. The best hydrogen storage value of 3.3% was achieved at a temperature of 20°C and a pressure of 80 bar within just 60 seconds. The adsorption of the composite material was found to be of the second type, with a re‐creation coefficient greater than 0.97 for all the materials tested, indicating favorable adsorption. The b value was up to 0, further confirming the favorable adsorption. Overall, the results demonstrate that the incorporation of copper ferrite nanoparticles can significantly improve the hydrogen storage properties of graphene oxide, and careful selection of the doping ratio is necessary to achieve the optimal performance. These findings have potential implications for the development of efficient hydrogen storage materials for clean energy applications.

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Zn(II)-isatin-3-thiosemicarbazone complexes with phosphines or diamines for hydrogen storage and anticancer studies

Cited by 18 publications

References 46 publications

Synthesis of new Cu (II) and Zn (II) complexes derived from isatin‐3‐thiosemicarbazone: X‐ray, anticancer activity, molecular docking, ADMET study, and quantum chemical calculations

Synthesis of new Cu (II) and Zn (II) complexes derived from isatin‐3‐thiosemicarbazone: X‐ray, anticancer activity, molecular docking, ADMET study, and quantum chemical calculations

Labile silver(I) complexes with benzisothiazolinone anion and phosphines: Synthesis, characterization and hydrogen storage application

Enhanced hydrogen storage capacity of graphene oxide through doping with copper ferrite nanoparticles

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