New chiral phosphine-amine-ether (PNO) ligands and their ruthenium complexes of the type [RuCl₂(PPh₃)(PNO)] have been synthesized and applied in the asymmetric hydrogenation of fused ring ketones, where excellent ee's (up to 97%) have been obtained. The role of backbone chirality has been investigated in coordination chemistry and catalysis.

New chiral phosphine-amine-ether (PNO) ligands of the general formula Ph₂PCH(R¹)(CH₂)_nCH(R¹)N(R²)CH(R³)CH₂OMe, where R¹, R², and R³ = H or Me, n = 0 or 1, and their ruthenium complexes of the type [RuCl₂(PPh₃)(PNO)] have been synthesized. The coordination compounds were characterized by 1D and 2D NMR spectroscopy, modeled by DFT calculations, and in one case analyzed by X-ray crystallography. The combined spectroscopic and theoretical investigations revealed that the relative configuration of the stereogenic elements in the P–N and N–O backbone represents a crucial factor in determining the conformation of the pincer-type chelates and may also affect the configuration of the coordinated stereogenic nitrogen in the NH subunit, an essential element of stereochemical communication in outer sphere bifunctional catalysis. The new complexes were applied in the asymmetric hydrogenation of fused ring bicyclic ketones (i.e., 1-tetralone and 4-chromanone derivatives), a challenging substrate class, where enantioselectivities up to 97% could be obtained. Based on the spectroscopic and theoretical studies and catalytic experiments, structural features affecting the stereochemistry of the coordination could be identified and a qualitative enantioinduction model has been proposed.

Two novel phosphoramide containing thiazole derivatives with the name of bis(5-amino-1,3,4-thiadiazol-2-yl) phenylphosphonotrithioate (C1) and O, O-diethyl (5-((diethoxyphosphorothioyl) thio)-1,3,4-thiadiazol-2yl) phosphoramidothioate (C2) as corrosion inhibition were synthesized and identified by ¹H NMR, ¹³C NMR, ³¹P NMR, IR, and mass spectroscopies. The electrochemical behavior of mild steel (MS) in hydrochloric acid 1-M (HCl) solution was perused in the absence and presence of C1 and C2. To determine corrosion inhibition of phosphoramide compounds, scanning electron microscopy (SEM), potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS) were used. The EIS results show that the charge transfer resistance increases with the addition of inhibitors to the hydrochloric acid solution. The most inhibitor efficiency was 89%, which demonstrated the appropriate anti-corrosion property of C1. EIS results show better charge transfer resistance on the surface of MS at increased inhibitor concentrations. The PDP analysis showed that C1 and C2 are mixed-type inhibitors. The PDP examination appeared that C1 and C2 are mixed-type inhibitors. To way better get the comes about of corrosion inhibition and structure of target compounds, the highest occupied molecular orbital (HOMO) and least unoccupied molecular orbital (LUMO) energies, hardness, dipole moment, and electrophilicity index of synthesized compounds were explored computationally using the density functional theory (DFT) strategy. The hypothetical comes about in great understanding with the exploratory information.

This review summarizes the application of β-cyclodextrin-based catalyst systems in click reactions. Surprisingly, there was no review on using the β-cyclodextrin system as a green catalyst for synthesizing 1,2,3-triazoles, and we debated it for the first time. Different types of catalysts based on cyclodextrins such as native β-cyclodextrin, Cu (II)–β-cyclodextrin complex, Cu (II)–β-cyclodextrin nanoparticles, and β-CD-heterogeneous have been studied that showed β-CD an ideal candidate for using it in click reactions synthesis of 1,2,3‑triazoles.

A significant challenge for scientists today is to design green and eco-friendly catalysts based on green chemistry with high catalytic performance and recycling properties. Many studies have aimed to address environmental issues by developing green chemical processes and catalysts that reduce the production of harmful substances. β-Cyclodextrin (β-CD), a class of cyclic oligomers, has garnered considerable attention in recent decades. It has been utilized as a green alternative catalyst in various organic conversions, demonstrating satisfactory catalytic activity and improved efficiency of organic reactions. The availability, non-toxicity, low cost, renewability, and high performance in organic transformations are several benefits of cyclodextrins that have attracted interest from research groups worldwide. The click reaction is well-known in green chemistry for its high selectivity and efficiency in producing 1,2,3-triazoles with significant medicinal activities. This reaction involves aryl/alkyl halides, alkynes, and NaN₃ under ambient conditions to generate necessary scaffolds called 1,2,3-triazoles. Therefore, finding green approaches for synthesizing 1,2,3-triazoles is of great interest. In recent decades, significant advancements have been made in developing metal-catalyzed click reactions to synthesize 1,2,3-triazole derivatives. Carolyn Bertozzi, Morten Meldal, and Barry Sharpless were awarded the Nobel Prize in Chemistry in 2022 for their contributions to the foundations of click and bio-orthogonal chemistry. In transition, metal-catalyzed click reactions, using modified β-CD derivatives as catalysts is particularly advantageous because of their valuable catalytic properties and their ability to form inclusion complexes with different metals. This review focuses on the catalyzed click reaction using β-CD-based catalysts to prepare triazoles. Using biodegradable β-CD has made the method safe, sustainable, and eco-friendly. The click reaction has provided access to various 1,2,3-triazoles essential in pharmaceutical products and exhibits diverse biological activities. The specific purpose of this review is to summarize the application of β-CD-based catalyst systems in click reactions.

Different metal complexes through mixing N ¹,N ³-bis(4-phenylthiazol-2-yl)malonamide with Cr(III), Fe(III), Cu(II), and Zn(II) nitrates in a 1:2 ratio in excellent yield and spectral analysis investigation were synthesized and showed change of SEM of surface of ligand and Cu(II) complex. Furthermore, antimicrobial activities and docking simulation also showed electrochemical behavior and Cr complex acts as a conducting material that can be used in supercapacitor. Additionally, computational investigation was made with basis set DFT/B3LYP/LANL2DZ to find the theoretical stability and FMO orbitals and evaluate physical parameter.

Novel metal complexes were synthesized by mixing N ¹ ,N ³ -bis(4-phenylthiazol-2-yl)malonamide with Cr (III), Fe (III), Cu (II), and Zn (II) nitrates in a 1:2 (L: metal) ratio. Through the use of several analytical and spectral methods, the structures of all compounds were determined. It was determined that the novel ligand functions through O₂N₂ sites as a neutral tetradentate. The thermal stability and the thermodynamic parameters were evaluated using thermal gravimetric analysis and the Coats-Redfern equations. Powder X-ray diffraction investigation revealed the type of unit cell and the degree of crystallinity. The complexes were further tested for their antibacterial efficacy, with molecular simulation using several proteins demonstrating the strongest action against a range of pathogens. Optimization for all compounds were made through the basis set DFT/B3LYP/LANL2DZ to find the theoretical stability, FMO orbitals, energy gaps, molecular electrostatic potentials (MEPs), and evaluate physical parameter. Here, the electrochemical properties of the metal complexes were investigated using cyclic voltammetry and electrochemical impedance spectroscopy methods. Additionally, [Cr₂(L)(NO₃)₄(H₂O)₄](NO₃)₂ complex has been authorized that has high electrocatalytic characteristics, making it attractive for use in supercapacitor applications.

A facile, gram-scale synthesis of high-quality zinc selenide quantum dots using selenourea as the selenium source at a relatively low temperature is reported. The synthesized dots exhibit intense green emission due to donor-acceptor pair recombination of photogenerated carriers. ZnSe QDs show significant potential as nanoscale flourescent labels for biomedical imaging.

We, herein, report a facile green synthetic route for the gram-scale synthesis of high-quality thiol-derivatized zinc selenide quantum dots (QDs) using selenourea as the source of selenium at a relatively low temperature. The one-pot synthesis of colloidal dots has been achieved by selenizing zinc (II) acetate in a non-coordinating solvent medium. The structural, microstructural, optical, thermal, textural and electronic properties of the as-synthesized monodisperse ZnSe dots have been investigated in detail. We attribute the observed green emission from the dots to the donor-acceptor pair (DAP) recombination of photoexcited charge carriers. All the findings of the investigation indicate that ZnSe QDs hold great promise as a nanoscale emissive probe to unveil cellular dynamics beyond the capabilities of conventional imaging techniques.

Synthesis and characterization of 4-(5-(diethylamino)-2-formylphenoxy)phthalonitrile, aldehyde-, and Schiff base-substituted peripheral tetra-substituted Co(II), Cu(II), and Zn(II) phthalocyanine compounds. In vitro acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes activity of aldehyde- and Schiff base-substituted cobalt (II), copper (II), and zinc (II) phthalocyanines

In this work, a series of aldehyde-substituted phthalocyanine compounds (1, 3, and 5) were prepared by the cyclotetramerization of the 4-(5-(diethylamino)-2-formylphenoxy) phthalonitrile (a) and the corresponding metal salts. Schiff base-substituted phthalocyanines (2, 4, and 6) were derived from an aldehyde-substituted phthalocyanine (1, 3, and 5) via the reaction of aldehyde-substituted phthalocyanines with an amine reagent. The compounds that were obtained were characterized using FT-IR, ¹H {¹³C} NMR, UV–Vis, and MS spectra (a and 1–6). The inhibitory qualities of synthesized aldehyde and Schiff base-substituted complexes against the enzymes butyrylcholinesterase (BChE) and acetylcholinesterase (AChE) were assessed. The majority of phthalocyanines exhibited strong enzyme-inhibiting properties. Out of the six produced phthalocyanines, 3 and 4 displayed the most intriguing profiles as submicromolar selective AChE inhibitors (IC₅₀ = 0.060 μM), whereas 1 demonstrated the most potent BChE inhibitor (IC₅₀ = 0.024 μM). The aggregation studies of CoPcs, CuPcs, and ZnPcs (1–6) were also carried out in this work.

A series of engineered NaAlO2@γ-Al2O3 materials were successfully synthesized and well characterized. The prepared NaAlO2@γ-Al2O3 catalyst was employed as a competent catalyst for sustainable CO2 fixation under atmospheric pressure to form value-added products. The cycloaddition reaction successfully achieved 94% styrene oxide conversion and 93% selectivity, along with an 87% yield of the styrene carbonate at 120 °C for 6 h. A plausible reaction mechanism was also proposed for the styrene carbonate synthesis using NaAlO2@γ-Al2O3 catalyst with the support of obtained results.

The anthropogenic carbon dioxide (CO₂) fixation and various engineering strategies are gaining very significant attention because of the expansion of the net-zero carbon environment in the atmosphere. Herein, we designed a sodium aluminate@γ-alumina (NaAlO₂@γ-Al₂O₃) catalyst by a simple and facile precipitation and impregnation tactics. A series of different weight percentage NaAlO₂@γ-Al₂O₃ materials were successfully synthesized and well characterized by using advanced analytical and spectroscopic techniques such as TGA, XRD, FE-SEM, TEM/HR-TEM, FT-IR, Raman, TPD, and XPS analysis. The NaAlO₂@γ-Al₂O₃ catalyst was employed as a competent catalyst for the CO₂ fixation under atmospheric pressure reaction conditions. The catalytic activity results evidently revealed that the cycloaddition reaction successfully achieved 94% styrene oxide conversion and 93% selectivity, along with an 87% yield of the styrene carbonate at 120 °C for 6 h. Furthermore, we comprehensively examined the effect of different reaction parameters such as the effect of sodium aluminate amount, co-catalyst amount, temperature, and time for CO₂ fixation reaction. Additionally, different terminal and internal epoxides were tested under optimized reaction conditions and achieved moderate to excellent yield of the desired cyclic carbonate products. Interestingly, a plausible reaction mechanism was proposed for the styrene carbonate synthesis using NaAlO₂@γ-Al₂O₃ catalyst surface with the support of characterization and experimental results. Remarkably, the NaAlO₂@γ-Al₂O₃ catalyst could be easily recoverable and successfully recyclable up to six consecutive cycles without declining its initial catalytic activity along with stable structural and physicochemical properties.

Herein, ZnO–CdS is prepared using a green and ecofriendly procedure. The nanomaterial was characterized by FE-SEM, TEM, EDS, DRS, XRD, and FT-IR. The photocatalytic proficiency of ZnO–CdS was then scrutinized in the fabrication of some 4H-chromenes in a mild condition. The outcomes of this study revealed that the nanophotocatalyst has high photocatalytic reactivity and acceptable reusability in the desired condensation reaction. Furthermore, a preliminary in vitro cellular toxicity assay was performed on ZnO–CdS nanoparticles using HepG2 cancer cell line through MTT assay.

There are ongoing studies on the potential use of chromene derivatives in liver cancer therapy. They have shown promising results in preclinical studies for liver cancer, including inhibiting tumor growth and inducing apoptosis. Herein, the nanosized hybrid material zinc oxide (ZnO)–cadmium sulfide (CdS) is prepared using a green and ecofriendly procedure. The nanomaterial was characterized by FE-SEM, transmission electron microscopy, energy dispersive X-ray, DRS, X-ray diffraction, and Fourier transform infrared spectroscopy. The photocatalytic proficiency of ZnO–CdS was then scrutinized in the fabrication of some 4H-chromenes in a mild condition. The outcomes of this study revealed that the nanophotocatalyst has high photocatalytic reactivity and acceptable reusability in the desired condensation reaction. Furthermore, a preliminary in vitro cellular toxicity assay was performed on ZnO–CdS nanoparticles using HepG2 cancer cell line through MTT assay.

The surface of mesoporous silica (MS) was modified with imidazolium-based ionic liquids (ILs). Half-sandwich titanium-based catalysts were immobilized on the surface of IL-modified MS. Catalysts immobilized on IL-modified MS showed higher 1-hexene selectivity and activity compared with the unmodified MS. C1-IL-BF₄@MS catalyst showed the highest activity of 1,199 kg 1-C6 molTi⁻¹·h⁻¹.

Linear alpha olefins (LAOs) are produced industrially via ethylene oligomerization using catalytic methods. The cost-effective separation process has sparked significant interest in the selective oligomerization of ethylene to produce alpha-olefins, including 1-hexene (1-C6), in multi-product commercial processes. In addition, the utilization of immobilized catalysts is crucial because of their reduced environmental impact, ease of catalyst separation, recyclability, and transportability. Furthermore, the use of immobilized catalysts simplifies the purification process, making it easier to isolate pure products. In the present study, mesoporous silica (MS) was first modified with ionic liquids (ILs) consisting BF₄ ⁻ and Br⁻ counter-anions to prepare IL-BF₄@MS and IL-Br@MS, respectively. Then 12 catalysts were synthesized through immobilization of the half-sandwich catalysts with different bridges on the surface of MS, IL-Br@MS, and IL-BF₄@MS and characterized by BET, TGA, and SEM–EDX-Mapping analyses. UV–Visible spectroscopy showed a tetrahedral structure for the synthesized complexes. The activity and selectivity of the catalysts for the production of 1-hexene were studied under specific conditions, including an ethylene pressure of 8 bar, a temperature of 40 °C, and an Al/Ti ratio of 1:2000. The C1-IL-BF ₄ @MS immobilized catalyst with cyclohexane middle bridge immobilized on MS modified with IL-BF₄ revealed the highest activity (1199 kg 1-C6 molTi ⁻¹ ·h ⁻¹ ) at a catalyst concentration of 1.5 μmol. The lowest activity (138 kg 1-C molTi ⁻¹ ·h ⁻¹ ) was obtained for both C3@MS and C4@MS catalysts.

Synthesis of new anticancer agents that are transition metal complexes based on thiosemicarbazone derivatives.

New Co (II), Ni (II), and Cu (II) complexes based on ρ-dimethylaminobenzaldehyde thiosemicarbazone (DABT) as chelating agents were synthesized. The structure of the three complexes was determined by elemental analysis and TGA with IR, UV–Vis, XRD, ESR spectra, conductivity, and magnetic measurements. It was found that the isolated DABT complexes have tetrahedral structure with a neutral nature. The antitumor activity of DABT complexes using viability assay was examined against hepatocellular carcinoma cell lines (HepG-2). The DABT complexes have moderate activity with respect to the standard drugs. DABT–Ni (II) complex has higher antitumor activity (IC₅₀ = 12 μM) than the other DABT complexes. In addition, a molecular docking study was performed for DABT and its complexes to investigate their therapeutic features as topoisomerase inhibitors. It is clear that the most effective compound was DABT–Ni (II) complex to bind to 3QX3. Also, density functional theory calculations with the structure–activity relationship were computed for DABT and its complexes using the Gaussian program. There was confirmation between the obtained theoretical data and the experimental studies.