Anticancer activity and morphological analysis of Pt (II) complexes: Their DFT approach, docking simulation, and ADME‐Tox profiling

Anticancer activity and morphological analysis of Pt (II) complexes: Their DFT approach, docking simulation, and ADME-Tox profiling

Pt (II)-based complexes showed notable antiproliferative activity against three cancerous cell lines. DFT calculations, docking studies, and ADME-Tox profiling suggest that these complexes are worth of further studies as potential therapeutic candidates.


A consistent series of Pt (II) polypyridyl complexes (i.e., LDP-10–25), previously obtained and characterized by our research group, underwent extensive biological investigations to verify their activity profile as target-based anticancer agents. Preliminary in vitro screening at 10 μM against three tumor cell lines known to overexpress DNA G-4 (MDA-MB 231, U87, and U2-OS) pointed out that four of them, namely, LDP-15, LDP-16, LDP-24, and LDP-25, had promising cytotoxic activity compared with cisplatin. Therefore, these four compounds were selected for continuous assays against the same three cell lines and morphological analyses on U2-OS cells that showed IC50 values in the micromolar range and remarkable changes in nuclei shape and cytoskeleton integrity, respectively. Docking studies supported the idea that the antiproliferative activity of the complexes could be attributed to their interaction via a hybrid binding mode with the intended molecular target, DNA G-4. In addition, in silico ADME-Tox profiling studies showed no risk of tumorigenic, irritant, or reproductive effects for the title compounds. DFT calculations were used to verify the structural characteristics of the four selected compounds and to investigate their electronic behavior. Overall, the results obtained, both experimentally and theoretically, indicate that LDP-15, LDP-16, LDP-24, and LDP-25 complexes could be useful for further study as potential therapeutic agents.

A highly sensitive chemosensor based on a metal‐organic framework for determining zinc ions in cosmetics creams and wastewater

A highly sensitive chemosensor based on a metal-organic framework for determining zinc ions in cosmetics creams and wastewater

A novel chemosensor was developed to detect Zn2+ in cosmetics creams and water samples with superior precision. The utilized chemosensor comprises NH2–UiO–MOF as a base MOF and 2-acetyl-6-bromopyridine as a ligand named 2A6BrP=N–UiO–MOF chemosensor.


A novel chemosensor has been developed for the precise detection of Zn2+ in cosmetics creams and water samples, exhibiting remarkable accuracy. This new chemosensor is composed of NH2–UiO–MOF serving as the base MOF, with 2-acetyl-6-bromopyridine acting as the ligand, referred to as the 2A6BrP=N–UiO–MOF chemosensor. Extensive studies have been conducted to optimize the spectrophotometric and fluorometric detection of Zn2+ ions using this new chemosensor. Achieving a consistent and stable spectroscopic signal with the 2A6BrP=N–UiO–MOF chemosensor necessitated a response time of less than 30 s. Validation of the proposed methods followed ICH (International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use) guidelines, ensuring precision in determining limits of detection (LODs), limits of quantification (LOQs), linearity, and precision. The spectrophotometric and fluorometric techniques yielded highly sensitive LOD values of 15.50 (ppb) and 8.70 ppb, respectively, for Zn2+ ions. Furthermore, research indicated that the 2A6BrP=N–UiO–MOF chemosensor can be efficiently recycled up to eight times by treating it with 0.1 M HCl, showcasing its potential for sustainability. Subsequently, the application of the 2A6BrP=N–UiO–MOF chemosensor demonstrated its remarkable efficacy in detecting Zn2+ in various real water samples. Its exceptional sensitivity and selectivity make it a valuable tool for accurate Zn2+ detection in practical environmental settings.

Copper (II)‐azo sulfathiazole complex immobilized on UiO‐66‐NH2 (MOF) as a catalyst for the one‐pot synthesis of spiroindole‐pyranopyrazoles

Copper (II)-azo sulfathiazole complex immobilized on UiO-66-NH2 (MOF) as a catalyst for the one-pot synthesis of spiroindole-pyranopyrazoles

A new metal-organic framework nanocatalyst (Cu@UIO-66-AST) has been prepared from UiO-66-NH2 through a post-synthesis modification process. The catalytic efficiency of Cu@UIO-66-AST as an acid Lewis was investigated in the synthesis of spiroindole-pyranopyrazoles. The catalyst can be recycled and reused for up to eight subsequent runs without significant loss of activity.


In this work, a new metal–organic framework nanocatalyst (Cu@UIO-66-AST) has been prepared from UiO-66-NH2 through a post-synthesis modification process. The Cu (II)@UIO-66-AST nanocatalyst formation was confirmed from TGA, FT-IR, TEM, XRD, BET, CHN, ICP, SEM, EDS, and elemental analyses. The catalytic efficiency of the synthesized MOF (Cu@UIO-66-AST), as an acid Lewis, was investigated in the four-component reaction of isatin, malononitrile, hydrazine, and dimethyl acetylene dicarboxylate and compared to UiO-66-NH2 (as a basic catalyst) and Cu (OAc)2 (as an acidic heterogeneous catalyst). The obtained results clearly show that Cu@UIO-66-AST has a higher catalytic activity (93%) than UiO-66-NH2 (13%) and Cu (OAc)2 (43%). It could be due to the increase of dispersibility of Cu2+ by the formation of several stable complexes between Cu2+ ions and functional groups of ligand AST (OH, C=N, NH, and C-S) on the surface of the nanocatalyst. Also, the catalyst can be recycled and reused for up to eight subsequent runs without significant loss of activity.

Improving the anticancer activity of fluorinated glucosamine and galactosamine analogs by attachment of a ferrocene or ruthenium tetrazene motif

Improving the anticancer activity of fluorinated glucosamine and galactosamine analogs by attachment of a ferrocene or ruthenium tetrazene motif

Attachment of ruthenium tetrazene or ferrocenyl-triazole substituents at the 2-position of cytotoxic fluorinated glucosamine hemiacetals increased the sugar cytotoxicity by one order of magnitude via induction of apoptosis. The presence of a hydroxyl or β-acetate at the anomeric position is essential for cytotoxicity.


Acylated N-acetyl hexosamine hemiacetals are known for their cytotoxicity. We have previously reported that cytotoxicity can be increased by replacing one or more acyloxy groups with fluorine. Herein, we present the synthesis of 4,6-difluorinated d-gluco- and 4-fluorinated d-galacto-configured hexosamine-derived glycoconjugates with organoruthenium or ferrocene complexes and their in vitro cytotoxicity against three cancer cell lines (A2780, SK-OV-3, and MDA-MB-231) and one noncancerous cell line (HEK-293). The attachment of the organometallic moiety at the 2-position significantly enhanced the cytotoxicity, especially against triple-negative MDA-MB-231 and the cisplatin resistant SK-OV-3 cancer cells. We observed a clear significance of an unprotected and acetyl protected anomeric hydroxyl for the cytotoxicity. Glycoconjugates with a non-hydrolysable organic or organometallic group at the anomeric position were generally nontoxic. A more detailed analysis revealed that, in particular, complexes with the ruthenium tetrazene complex induced apoptosis in both SK-OV-3 and MDA-MB-231 cells, as demonstrated by western blot analysis and Annexin V-FITC/PI staining. The structures of the two most cytotoxic organoruthenium and ferrocene glycoconjugates were confirmed by X-ray diffraction analysis.

Alternating ring‐opening copolymerization of cyclic anhydrides and epoxides by zeolitic imidazolate framework‐67: A promising approach

Alternating ring-opening copolymerization of cyclic anhydrides and epoxides by zeolitic imidazolate framework-67: A promising approach

The zeolitic imidazolate framework-67 was used as a heterogeneous catalyst for the alternatively ring opening copolymerization of epoxides and cyclic anhydrides without co-catalyst and initiator.


The ring opening copolymerization (ROCOP) of epoxides and cyclic anhydrides is one of the most important ways to synthesize polyesters both in industrial and academic fields. Herein, the zeolitic imidazolate framework-67 (ZIF-67) was used as a heterogeneous catalyst for the ROCOP of epoxides and cyclic anhydrides without co-catalyst and initiator. Notably, the obtained polyesters with alternate structures were proved by the 1H NMR spectrum and FTIR spectrum, which indicate the ROCOP is alternatively copolymerized. Kinetic study of the ROCOP of cyclohexene oxide (CHO) and phthalic anhydride (PA) shows that the polymerization reaction is first-order kinetics. The apparent activation energy (Ea) of the ROCOP of CHO and PA catalyzed by ZIF-67 was found to be about 104.4 KJ/mol. A possible mechanism of ROCOP of CHO and PA is that the metal Co coordinates with the oxygen atom on the monomer to weaken the C-O bond thereby opening the ring structure and initiating the copolymerization reaction. In this study, a new system for the copolymerization of epoxide and anhydride catalyzed by heterogeneous catalysts was discovered, which has important guiding significance.

Solvothermal single‐pot synthesis of Pd‐Fe3O4@GO catalyst: Enhanced catalytic performance in Sonogashira coupling reactions

Solvothermal single-pot synthesis of Pd-Fe3O4@GO catalyst: Enhanced catalytic performance in Sonogashira coupling reactions

We developed a single-pot solvothermal synthetic approach to synthesizing Pd-Fe3O4@GO. It is a simple, effective, magnetically separable, eco-friendly, and recyclable catalyst. The synthesized catalyst Pd-Fe3O4@GO was thoroughly characterized using FTIR, XPS, XRD, SEM-EDS mapping, TEM, and ICP-MS. The synthesized catalyst was used in the Sonogashira cross-coupling reaction between substituted aryl halide and phenylacetylene to form carbon–carbon bonds.


In this study, we present a new approach to synthesizing a magnetically separable Pd-Fe3O4@GO catalyst using a simple single-pot method. The catalyst was employed in Sonogashira coupling reactions, demonstrating excellent results. The catalyst was studied using a various characterization method, including X-ray photoelectron spectroscopy (XPS), scanning electron microscope–energy-dispersive X-ray spectroscopy (SEM-EDS) mapping, TEM, X-ray diffraction (XRD), FTIR, and inductively coupled plasma mass spectrometry (ICP-MS). Pd-Fe3O4@GO exhibited superior catalytic activity compared with its conventional counterparts in phenylacetylene-iodobenzene coupling reactions under copper co-catalyzed-free and ligand-free conditions, with a higher turnover frequency (TOF) of 118.3 h−1. Optimized conditions yielded high yields for various substrates, including inactive aryl chloride and bromide substrates, emphasizing its versatility. Also, a reaction mechanism was proposed and a kinetic model was developed. The catalyst's green chemistry potential was highlighted because of its high efficiency, purity of products, recoverability, and ease of preparation. Moreover, Pd-Fe3O4@GO demonstrated impressive stability through multiple recycling rounds without loss of functionality, making it a promising tool for sustainable chemical processes.

Synthesis of Ag @CuO nanocomposites supported by reduced graphene oxide nanosheets: harnessing photocatalytic degradation of naphthol blue black dye

Synthesis of Ag @CuO nanocomposites supported by reduced graphene oxide nanosheets: harnessing photocatalytic degradation of naphthol blue black dye

We provide the very facile method for the synthesis of nanocomposite. We have shown that how the addition of silver has increased the photocatalytic activity toward dye degradation. We have provided much detail on reduced graphene oxide-based composites and their synergistic properties. The nanocomposites have been characterized by several advanced techniques including XRD, EIS, FTIR, XPS, and EPR.


The significance of utilizing photocatalysts to degrade toxic dyes and microbes has grown in recent years. It has been demonstrated as a successful method for utilizing light through hybrid photocatalysts to break down harmful organic molecules. This study aims to investigate the potential applications of CuO–Ag/rGO nanocomposites in environmental remediation. The nanocomposites were synthesized by incorporating Ag and CuO nanoparticles onto rGO nanosheets via hydrothermal method. The nanocomposites that resulted were thoroughly characterized using various analytical techniques to determine their chemical structure, morphology, crystallinity, and photocatalytic application. The degradation efficiency of naphthol black blue (NBB) dye under visible light irradiation was used to assess the photocatalytic performance of the nanocomposites. It was revealed that 80.2%, 90.3%, and 97.3% of NBB dye degraded as a result of enhanced photocatalytic activity of synthesized CuO–Ag/rGO. The research provides valuable insights into the design and development of advanced nanomaterials for efficient and sustainable wastewater treatment applications.

DNA interaction, biological, and structural identification studies of bivalent nano‐sized Nickel, Palladium, and Platinum chelates of 2‐(((Z)‐6‐chloro‐3‐((E)‐([2‐hydroxyphenyl]imino)methyl)‐4H‐chromen‐4‐ylidene)amino)phenol Schiff base ligand

DNA interaction, biological, and structural identification studies of bivalent nano-sized Nickel, Palladium, and Platinum chelates of 2-(((Z)-6-chloro-3-((E)-([2-hydroxyphenyl]imino)methyl)-4H-chromen-4-ylidene)amino)phenol Schiff base ligand

Three novel nano-sized complexes were synthesized and characterized by spectral, thermal, and DFT were performed to confirm the geometry of nano-sized complexes. The in vitro antimicrobial activity of the complexes was investigated. In addition, the antioxidant study was accomplished to considerate the nature of binding of the synthesized compounds with protein and DNA.


New nano-sized Ni(II), Pd(II), and Pt(II) Schiff base chelates of 2-(((Z)-6-chloro-3-((E)-([2-hydroxyphenyl]imino)methyl)-4H-chromen-4-ylidene)amino)phenol were designed and manufactured. The structural characterization of these isolated compounds was accomplished through spectral measurements, thermal and elemental analyses, and magnetic moment and conductivity determinations. The nano-sized metal(II) complexes molar conductance indicated that they exhibited non-electrolytic behavior. The UV–Vis spectral data and magnetic moment provided evidence for producing octahedral geometries in the nano-sized complexes of Ni(II), Pd(II), and Pt(II). Metal chelates' thermal characteristics and decomposition kinetics were examined through Coats-Redfern technique. The kinetic aspects, including pre-exponential factor (A), the entropy of activation (ΔS), and activation energy (E) were enumerated. The X-ray diffraction (XRD) calculations results of the trivalent metal complexes showed that sharp and intense diffraction peaks signify their crystalline properties with nanoscale particle size, and another proof was obtained from the images of SEM, TEM, EDX, and AFM also homogeneous distribution over the complex surface was confirmed. Molecular modeling techniques were adopted to optimize the metal complexes geometry. The viscosity and UV–Vis absorption determinations were utilized to assess the calf thymus DNA (CT-DNA) interaction with the nano-sized metal(II) chelates. The acquired data revealed that the complexes exhibit a non-intercalative or incomplete binding pattern when interacting with DNA. The calculated DNA-complexes binding constants are 3.93 ± 0.02 × 10,4 1.67 ± 0.3 × 105 and 2.88 ± 0.03 × 105 M−1, for nano-sized Ni(II), Pd(II) and Pt(II) Schiff base chelates, successively. Both Gram-negative (Escherichia coli and Pseudomonas aeruginosa) and Gram-positive (Bacillus subtilis and Streptococcus pneumoniae) micro-organisms were tested against H2L Schiff base ligand and its nano-sized metal(II) complexes. Candida albicans and Aspergillus fumigatus were tested for antifungal activity, revealing that most complexes had activity lower than H2L ligand, while the complex of Ni(II) exhibited no discernible antifungal activities. Furthermore, the manufactured complexes underwent testing for their in-vitro anticancer and antibacterial effectiveness. Furthermore, the complexes antioxidant activity was appraised through DPPH and ABTS inhibition tests, revealing distinct scavenging abilities on DPPH radicals. The complexes were ordered according to their scavenging capacity as follows: Ni(II) complex > Pd(II) complex > Pt(II) complex. Finally, the study of cell cycle arrest by the Ni(II), Pd(II), and Pt(II) complexes on HEPG2 has also been performed through flow cell cytometry.

Synthesis, characterization, and photocatalytic activity for water remediation and hydrogen evolution of Zn(II) and Ni(II) bis(thiosemicarbazone) complexes

Synthesis, characterization, and photocatalytic activity for water remediation and hydrogen evolution of Zn(II) and Ni(II) bis(thiosemicarbazone) complexes

Three new dissymmetric bis(thiosemicarbazone) ligands and their nickel(II) and zinc(II) complexes are reported. The potential of the complexes to photocatalyze the degradation of methyl orange is evaluated, and the results show that they can satisfactorily degrade it. Photocatalytic hydrogen evolution by water splitting promoted by nickel complexes is also tested.


The extensive industrial use of organic dyes causes large amounts of these substances to arrive at water sources, so nowadays, organic compound removal from fresh water is a major concern. The use of photocatalysts is an interesting approach to solving this problem, with coordination compounds playing an outstanding role. We report the selective synthesis and characterization of three new dissymmetric bis(thiosemicarbazone) ligands and their nickel(II) and zinc(II) complexes, which have been fully characterized by several techniques. The photocatalytic activity of the six complexes for methyl orange degradation was also evaluated. All the complexes can degrade this organic dye, although the photoefficiency of the nickel compounds is, in general, higher than for the zinc ones, as the degradation is faster and they do not reach a plateau. Density functional theory calculations show a clear dependence of the highest occupied molecular orbital (HOMO)–lowest unoccupied molecular orbital (LUMO) gap, as well as with the relative energies of these orbitals. On the other hand, the need for green fuels that do not produce the greenhouse effect is one of the major goals of modern life, and molecular hydrogen is one of the most promising ones. Considering the proven potential of bis(thiosemicarbazone) complexes to electrocatalyze H2 evolution recently reported in the literature, we also made some preliminary tests to investigate the potential of the nickel complexes to act as photocatalysts for water splitting. The results indicate that two of the complexes produce H2 in the conditions tested, so they could be used in the development of efficient photocatalytic systems for hydrogen evolution.

Enhanced hydrolytic stability and photocatalytic performance of a uranium‐based organic framework by hybrid carbon nanotubes

Enhanced hydrolytic stability and photocatalytic performance of a uranium-based organic framework by hybrid carbon nanotubes

Incorporation of multiwalled carbon nanotubes (CNTs) into a metal–organic framework (TCPP-U1) was able to maintain the crystal structure and morphology of the original TCPP-U1 while enhancing the hydrolytic stability. In addition, CNTs@TCPP-U1 had a photocatalytic effect on the degradation of tetracycline hydrochloride in aqueous solution.


Owing to their highly predictable porous structures, facile synthesis, and the presence of functional open metal sites, metal–organic frameworks (MOFs) are extensively employed in various fields, including energy storage, catalysis, adsorption, and separation. Nevertheless, the limited hydrolytic stability exhibited by numerous MOFs poses a significant challenge to their practical application. In the present study, we present the synthesis and characterization of a uranyl organic framework (TCPP-U1) with a highly porous structure, which is constructed by assembling cobalt, uranyl, and the porphyrin ligand 5,10,15,20-tetra(4-carboxyphenyl)porphyrin (TCPP). However, TCPP-U1 demonstrates poor hydrolytic stability when exposed to water (the structure can be destroyed even after 2 min of exposure to water), greatly impeding its potential applications that would benefit from its high surface area. To address this limitation, we developed a hybrid composite by incorporating acid-treated multi-walled carbon nanotubes (CNTs) into the TCPP-U1 framework via a solvothermal method designated as CNTs@TCPP-U1. Remarkably, the obtained CNTs@TCPP-U1 composite possesses an identical crystal structure and morphology to the original TCPP-U1 yet exhibits significant enhancements in hydrolytic stability (the structure remains stable even after 3 days of immersion in water). Furthermore, CNTs@TCPP-U1 demonstrates a significant photocatalytic effect on the degradation of tetracycline hydrochloride in aqueous solutions. The reaction rate constant (k) for the pseudo-first-order kinetic model is 0.0059 min−1. Our findings present a novel perspective for enhancing the stability and expanding the performance of MOFs materials.