A Co(II) complex (Fe3O4@SiO2/GO–NH2–CoII NPs) immobilized on a magnetic graphene oxide nanocomposite was efficiently synthesized and characterized by a variety of techniques, including XRD, FT-IR, SEM/EDX, TEM, VSM, TGA and AAS. Then, the catalytic activity of this new Fe3O4@SiO2/GO–NH2–CoII complex was examined in the Sonogashira cross-coupling reaction and Heck–Mizoroki coupling reaction. The Pd/Cu-free Sonogashira cross-coupling reaction of different aryl halides and terminal alkynes was achieved in the presence of Fe3O4@SiO2/GO–NH2–CoII NPs under reflux in ethanol, and the corresponding products were obtained successfully in good to high yields. In addition, Heck–Mizoroki cross-coupling reactions of various aryl halides by using Fe3O4@SiO2/GO–NH2–CoII and Et3N under reflux in DMSO afforded the desired products in good to high yields. This heterogeneous catalyst can be recovered using a magnet and reused several times without obvious loss of catalytic activity.

This study aims to explore how ZnO–Ag hybrid nanoparticles (HNPs) can provide the self-cleaning behavior to UV-curable acrylate urethane (UVACU) coating. To our best knowledge, this is the first work reporting the self-cleaning organic nanocoating under visible light irradiation for both indoor and outdoor applications. Self-cleaning tests of dirty UVACU coatings have been examined with artificial dirty (AD) mixture or methylene blue (MB) under visible light and UV irradiation. It was shown that cross-linked UVACU/ZnO–Ag nanocomposite coatings have significantly removed MB from the coating surface after 12 h of exposure to light radiation, while for AD, after 112 h of exposure to light radiation, nearly 70% of AD still attaches to the surface of neat coating. In the presence of HNPs, only about 35% of AD remained on the surface of nanocomposite coating. This finding indicates that ZnO–Ag HNPs provide the self-cleaning property to UVACU coating. This self-cleaning can take place via: (i) photocatalytic effect of the HNPs loses the adhesion of MB on the surface of UVACU/ZnO–Ag coating; (ii) photodegradation can also degrade MB, then reduce the binding between these dust particles themselves, and (iii) photocatalytic photocatalytic degradation induced by HNPs on UVACU coating itself.Graphical Abstract

Nanoliposomes with a great surface area within nano scales of about 20–100 nm have acceptable stability profiles for direct drug carriers. The present study focuses on the nanoliposomes loaded with α-Al2O3 quantum dots nanoparticles (QDNPs) for the in vivo imaging study. The final nanoliposomes loaded with α-Al2O3 QDNPs were synthesized with the microwave irradiation method and characterized with scanning electron microscopy (SEM), Fourier transformed infrared spectrum (FT-IR), thermo-gravimetric analysis (TGA), the average particle size can estimate between about 11 and 20 with transmission electron microscopy (TEM) and dynamic light scattering (DLS). The optical properties were evaluated with Uv-vis spectroscopy, and injected 0.001 mg/mL nanoliposomes loaded with α-Al2O3 NPs to the right leg (Balb/c male). The synthesis parameters such as power, irradiation time and concentration were designed by 2 k factorial. According to the analysis of variance experiments, it was found that the size of the minimum nanoparticles in this study was achieved at the highest irradiation time (15 min) and the lowest microwave power (180 watts) and α-Al2O3 concentration (0.05 g).

The abuse of ornidazole (ODZ) has great threats to human being. Therefore, it is essential to develop efficient methods to detect ODZ. In this article, an unusual luminescent metal–organic framework (LMOF) [Cd3(HATNA)(TPA)3·5H2O]n (1) was synthesized by cadmium nitrate, 5,6,11,12,17,18-hexaazatrinaphthylene (HATNA) with large π-conjugation skeleton, and terephthalic acid (TPA). 1 exhibits a six-connected [Cd3(COO)6] cluster-based three-dimensional (3D) framework, supported by double-chelated HATNA bridges, and double and single TPA bridges. Noteworthily, this double-chelated HATNA firstly appears in MOFs. 1 has good thermal and pH stabilities, and exhibits luminescent property. More importantly, 1 can efficiently detect ODZ in H2O medium by luminescence quenching effect. Particularly, the ODZ detection limit of 1 is 2.26 × 10–4 mM, which is the lowest in LMOF-based ODZ sensors. Meanwhile, the detection mechanism of 1 towards ODZ has been discussed.

This work focuses on the obtaining and the bactericidal properties study, in vitro, of hybrid films as potential coating materials to inhibit bacteria proliferation. In consequence, hybrid films from nickel oxide (NiO) and nickel ferrite (NiFe2O4) nanoparticles (NPs) embedded in poly-3-hydroxybutyrate (P3HB) were obtained by the solvent casting method. P3HB@NiO and P3HB@NiFe2O4 hybrid films and P3HB film were characterized by X-ray diffraction (XRD), Raman scattering, and scanning electron microscopy (SEM). The XRD of the hybrid films showed that NiO and NiFe2O4 NPs incorporated in the P3HB conserved their nanometric size, and by Energy-dispersive X-ray spectroscopy (EDS) were observed that NPs are homogeneously distributed in the films. The bactericidal effect of the obtained films was evaluated in vitro from the broth surface method against two opportunistic and nosocomial pathogens, Staphylococcus aureus and Pseudomonas aeruginosa. The results showed that P3HB film, P3HB@NiO, and P3HB@NiFe2O4 hybrid films reduced 90%, 98%, and 97% of the growth of S. aureus, respectively. For P. aeruginosa, their growth was reduced by 90%, 94%, and 96%, respectively. In addition, the cytotoxic effect of NiO and NiFe2O4 NPs, as well as P3HB film, and P3HB@NiO, and P3HB@NiFe2O4 hybrid films was evaluated using human skin cells; keratinocytes and fibroblast, being the NPs less cytotoxic than films. Although P3HB is known as a biocompatible polymer, here is demonstrated that in our work conditions, their films have bactericidal properties and are cytotoxic to keratinocytes and fibroblasts, the first barrier of the human skin. However, the P3HB@NiO and P3HB@NiFe2O4 hybrid films synergize the bactericidal effect between the P3HB and the NPs. On the other hand, the NPs decrease the P3HB cytotoxicity to keratinocytes. The methodology used in this work is particularly suitable for producing hybrid films with antibacterial activity against Gram-positive and Gram-negative bacterial strains.

Bacterial secondary metabolites are the current focus of investigation as a potential solution to various drug resistance and other problems. Palladium nanoparticles produced by Bacillus sp are considered to be green, eco-friendly, cost-effective, and they also have antibacterial and anticancer capabilities which could be used in pharmaceuticals. Agar well screening has proven that the secondary metabolites of Bacillus sp (TAP 4) have antibacterial properties. Ultraviolet–visible (UV–Vis) spectroscopy was used to determine the synthesis of palladium nanoparticles. Scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), and X ray diffraction (XRD) were used to examine the morphological appearances, stability, and crystalline structure of palladium nanoparticles from the secondary metabolites of Bacillus sp. Using DCFH-DA, we determined the impact of secondary metabolites of synthesized nanoparticles on ROS levels and mitochondrial membrane potential (MMP) by two-fold serial dilution method. On A549 lung cancer cells, the cytotoxicity of synthesized secondary metabolites mediated palladium nanoparticles was measured using MTT assay to determine their anticancer activities. Our findings indicated that their secondary metabolites have a promising role as a first-line cancer drug. However, further research is required to entirely understand their mode of mechanistic action.

Computational studies of pyrimidine derivatives’ interaction with metal clusters (Ag/Au/Cu) in various solvents are presented. Cu cluster adsorption energies are highest, while Ag cluster adsorption energies are lowest. Because the change in enthalpy is negative, the adsorption processes are exothermic, which is advantageous for drug delivery applications. The electrophilicity index of all metal-drugs systems are higher than the drug’s value of drug, indicating that the drugs have a tendency to become more electrophilic once metal clusters are added. The cluster’s conductivity improved as the energy gaps decreases and the might be employed as a drug sensor. The solvation energies in solvents are greater negative indicating that the solvent medium is more stable. Evaluation of non-covalent interactions showed significant interactions between the molecules and clusters. Electron localization function (ELF) and average local ionization energy (ALIE) studies also confirm electron delocalization.

Drug Nanocarriers are fabricated based on zinc oxide (ZnO) and modified by silver oxide (AgO) and carbon quantum dots (CQDs) as ternary nanostructure CQDs/AgO/ZnO (CAZ). These are loaded with chemotherapeutic drug epirubicin as EPI-CAZ for breast cancer treatment. Biogenic synthesis of ZnO and AgO nanoparticles was carried out through leaf extract of Ficus carica having flavonoid as reducing agent. CQDs were synthesized from banana juice. XRD assay divulged wurtzite structure of CAZ nanocarriers with particle size of 14.6 nm. TEM micrographs revealed spherical morphology of CAZ of size 10–11.5 nm. In-vitro cytotoxic potential of EPI-CAZ nanocarrier was compared with ZnO and CAZ. Due to difference in physiological pH between healthy and cancerous cells, an acidic medium activates drug release at targeted cancerous cell. The results revealed that CAZ nanocarriers inhibited over 80% of viable cells, while drug loaded nanocarriers inhibited approx. 90% at concentration of 50.0 µM, thus enhances the cytotoxic potential of drug because CQDs act as good electron acceptor and transporter. Synergistic potential and apoptotic effect of CAZ and EPI-CAZ against resistant strains of E. coli and S. aureus divulged the influential role. Flow cytometry analysis revealed a 54.64% reduction in cell viability after being treated with nanocarriers.

Carbon dots (CDs) are the emerging class of carbonized materials with an ultra-small size (< 10 nm) and remarkable optical properties. In this paper, blue emissive CDs were synthesized from Plumeria obtusa (PO) flower named “PO-CDs” via a conventional hydrothermal approach. The as-prepared PO-CDs showed emission at 419 nm when excited at 335 nm with a high quantum yield (18%). This approach is effortless, inexpensive, and very reliable with the view of the green and facile method. The intensity of as-prepared PO-CDs was quenched by metribuzin pesticide via a static quenching mechanism. The reduction in PO-CDs intensity offers a wider linear range of calibration from 0.5 to 100 μM, with the detection limit of 22.57 nM. Lastly, the interaction and quenching mechanism between PO-CDs and metribuzin confirmed by various analytical techniques. The PO-CDs-based fluorescent probe was effectively applied to detect metribuzin in the cherry tomato samples.

Cervical cancer is the most prevalent reproductive malignancy that affects the female reproductive system. A myriad of anti-cancer compounds has been used for its treatment, but the increasing mortality rates are still devastating. Currently, organic metal complexes are gaining popularity due to their anti-cancer attributes. Therefore, the current work was designed to assess the therapeutic efficacy of non-functionalized multi-walled carbon nanotubes (N-MWCNT) and functionalized MWCNTs (F-MWCNT) against cervical cancer. Initially, N-MWCNTs and F-MWCNTs were structurally characterized by various parameters, including FTIR, XRD, TEM, SEM, AFM, and EDAX. Our comparative study revealed that F-MWCNTs have a larger surface area and the presence of OH and COOH as functional groups, which are uniformly distributed in the tubular and crystalline structure. Furthermore, the MTT assay revealed IC50 values of 47.70 µg/ml and 61.94 µg/ml of N- MWCNTs and F-MWCNT, respectively; in that relation, our immunoblot results show upregulation of BAX and downregulation of BCL-2 in either of the cases, with N-MWCNT having 2.92 and 0.45 folds in comparison to 2.68 and 0.41 folds of F-MWCNT. Our results revealed that both materials inhibited cell proliferation and induced apoptosis in a dose-dependent manner. Still, the effect of N-MWCNTs was more prominent as compared to F-MWCNTs. The overall conclusions of this study indicated that doses of F-MWCNTs could be explored for the safe drug delivery vehicle used as an effective biocompatible nanoformulation agent and this will open a new door for cervical cancer treatment.

Aluminum alloys with magnesium are broadly applied as structural materials for their high ductility and remarkable corrosion resistance. As the strongest alloys of this system have low stability specifications, the present research aims to investigate the probability of making strong of Al–Mg alloy by doping silicon, germanium and tin. This work presents an analysis of the influence of some organic heterocyclic inhibitors owing to Langmuir adsorption and DFT and TD-DFT method with different process parameters, on the corrosion resistance of aluminum alloy containing Al-X–Y (X = Mg, Y = Si, Ge, Sn). The ONIOM approach has been performed with a three-layered level of high by CAM-B3LYP theoretical function using 6–31 + G (2d,p) and LANL2DZ basis sets applying Gaussian 16 revision C.01; a medium semi-active part that consists of essential electronic contributions; and a low level part that has been handled using MM2 force field approaches. The physicochemical properties of inhibitor → metal alloy complexes are evaluated with the Langmuir adsorption through NMR, NBO, UV–VIS, HOMO/LUMO and DOS/PDOS graphs toward structural, electronic and thermodynamic properties and other quantum attributes. The fluctuation of occupancy of natural bond orbitals has been estimated for [pyridine,2-picoline,3-picoline,4-picoline, 2,4-lutidine → Al–Mg–(Si, Ge, Sn)] concerning the influence of nitrogen atom in the benzene ring of related heterocyclic compounds becoming close to the monolayer nanosurface of Al-X–Y (X = Mg, Y = Si, Ge, Sn) alloys. Furthermore, the results of partial electron density states (PDOS) have confirmed an obvious charge accumulation between the Al–Mg alloy and doped atoms of Si, Ge, and Sn through the recognition of the conduction band region. Based on the computed values of UV–VIS spectrums for pyridine, 2-picolone, 3-picoline, 4-picoline and 2,4-lutidine adsorbed on the Al–Mg-Y (Y = Si/Ge/Sn) alloys surface, there are maximum adsorption band wavelengths between 1000 nm and 4000 nm, respectively. In addition, it has been observed the sharpest peak in 2250 nm for all of these inhibitors adsorbed on the Al–Mg-Y (Y = Si/Ge/Sn) alloys surface. This study revealed that appropriate control of the coating process by Langmuir adsorption can illustrate inhibiting the aluminum alloys corrosion through an investigation of their structural, electronic and thermodynamic properties.

Nowadays research is widely going on copper oxide nanoparticles because of their excellent physicochemical, antibacterial, and anticancer properties. In the present study color of the solution changes upon the addition of 5 mM copper sulphate and further changes after gallic acid was added to the cell filtrate of Proteus mirabilis (ATCC-299906). The gallic acid coated copper oxide nanoparticles (GA-CuONPs) were further characterized by UV–Visible spectrophotometry, FTIR, SEM, EDX, TGA, DSC, and TEM showed particles are spherical in shape and size ranges from 17 to 45 nm. The antibacterial study revealed that GA-CuONPs were sensitive to Staphylococcus aureus with inhibition zone 18.5 ± 7.7 while least sensitive to Escherichia coli with inhibition zone 13.0 ± 2.3. The GA-CuONPs showed IC50 value at 106.88 ± 1.33 μg/ml against PANC-1 cells while less toxic towards 3T3-L1 cells with IC50 255.36 ± 0.86 μg/ml through MTT assay. Apoptosis study revealed cell shrinkage, chromatin condensation and membrane blebbing. PANC-1 cells showed 68.85% DCF expression of ROS while cells cycle got arrested in Sub G0/G1 and G2/M phase. Furthermore, 41.38% mitochondrial membrane potential (Δψm) damage and extensive DNA damage was observed. Therefore, GA-CuONPs could become a promising anticancer agent in the field of biomedicine and cancer therapy.

This study reports on the synthesis of graphene oxide layered bismuth telluride and grafted by 4-aminobenzoic acid, as a novel nanoadsorbent, and its potential for removal of bisphenol A. The nanoadsorbent was characterized by different techniques, such as Fourier transform infrared, X-ray diffraction spectroscopy, thermogravimetric analysis, scanning electron microscopy, and energy-dispersive X-ray. The sorption equilibrium was well fitted on the non-linear Langmuir isotherm model (R2= 0.9782). The kinetic models show that bisphenol A sorption fits the non-linear pseudo-second-order model (R2=0.9999). The maximum sorption capacity of 41.56 mg g-1 was obtained for nanoadsorbent under a pH of 5, nanoadsorbent dosage of 0.01 g, a temperature of 25 °C, and a contact time of 15 min. The nanoadsorbent was recyclable by 80% regeneration efficiency after the fifth cycle of usage. This work demonstrated that the synthesized nanoadsorbent was a novel and promising adsorbent for the removal of bisphenol A with an efficiency of >91% from the environmental water and industrial sewage samples.

Biological extracts have great potential to be used in the synthesis of metallic nanoparticles (M-NPs) due to their variety of biomolecules and different functional groups found in their structure, which act as potential reducing and stabilizing agents. Moreover, is understood as a safer alternative for the environment and health, as it aims to mitigate the use of substance with high toxicity, becoming a more environmentally friendly proposal. In this context, this review emphasizes the influence of the composition of plant extracts, especially extracts that present in their composition biomolecules such as flavonoids, for the synthesis of metallic nanoparticles, focusing on the interactions of the different functional groups found in the structures of flavonoids with metal precursors, to understand the mechanisms of synthesis reaction of metallic nanoparticles. In addition, the use of characterization techniques such as electrochemical, vibrational, morphological and structural is addressed, aiming to understand the potential of biological extracts as reducing and stabilizing agents, as a function of the composition of the extract, and for characterizations of the physicochemical properties of synthesized nanomaterials. Furthermore, the use of metallic nanoparticles as catalysts in the treatment of pollutants, development of electrochemical sensors and biological applications is briefly reported.

A new layered hybrid compound, based on imidazole derivative and Zn (II), was synthesized and characterized by X-ray diffraction, infrared spectroscopy, and UV–VIS absorption spectroscopy. According to the X-ray structure, the structure was determined in the monoclinic system (C2/c space group). The packing of bis-(5-nitrobenzimidzolium) tetrachlorozincate monohydrate is characterized by an alternation of corrugated layers parallel to the (102) planes, which are composed of (C7H6N3O2)+ groups, [ZnCl4]2− anions, and water molecules. There are many H-bonds between organic molecules, inorganic groups, and water molecules. These are the main forces that hold the supramolecular structure together. Through the use of contact enrichment ratios and Hirshfeld surfaces, the intermolecular interactions of the structure were investigated. With the aid of complex impedance spectroscopy, it is possible to comprehend the electrical behavior of the synthesized substance. Molecular docking was further employed to analyze the molecular mechanism and modalities of interactions between (C7H6N3O2)2[ZnCl4]·H2O and double-stranded DNA, revealing a high degree of stability and spontaneity at the molecular level. Moreover, utilizing disk diffusion methods, the antibacterial activity of the Zn (II) complex alone and with antibiotics was studied, revealing a synergistic impact against Klebsiella pneumonia and Staphylococcus aureus.

Cluster B12C4N8 has a broad application prospect. It is of great significance for investigating the properties of cluster B12C4N8 under the external electric field. The dipole moment, energy gap and infrared spectrum of cluster B12C4N8 molecule under external electric field (0–30 V/nm) are studied with density functional theory at B3LYP/6-31G(d) level. The dipole moment increases almost linearly from 0.87838 to 30.79096 Debye and the energy gap decreases continuously. Meanwhile, the ultraviolet-visible absorption spectra, the excitation wavelength, the excitation energy, oscillator strength and real space representation of hole and electron distributions of first ten excited states of cluster B12C4N8 under the external electric field are also studied with the time-dependent density functional theory at B3LYP/6-31G(d) level. It is found that the absorption peak of cluster B12C4N8 occurs blue shift. The excitation energy decreases significantly as the external electric field increases from 0 to 15 V/nm, increases as the external electric field increases from 15 to 20 V/nm, and decreases almost linearly as the external electric field increases from 20 to 30 V/nm. The results can offer an important reference to use external electric Fifield to tune the properties of cluster B12C4N8.

This work aims to prepare TiO2/Sn2S3 quantum dots by simple hydrothermal method. The Sn compound present in the quantum dots were varied in the molar ratio of 0.25 M, 0.50 M and 0.75 M. Furthermore, a comparative analysis was performed using their pristine counterparts. Analysis such as XRD, UV–Visible analysis, FTIR, photoluminescence, HR-SEM, EDAX, HR-TEM, SAED and photocatalytic analysis were performed to identify the various morphology and characteristics of the samples. TiO2/Sn2S3 quantum dots possessed tetragonal (anatase) and orthorhombic crystal structure. Crystal violet dye was used to determine the degradation capability of the samples. TiO2/Sn2S3 quantum dots with a molar ratio of 0.25 Sn showed a good photocatalytic degradation efficiency of 75.93% for 60 min.

In this paper, two new compounds {[L1]·[Cu3(SCN)7]·H2O 1 and {[L1]·[Ag2(SCN)6]·H2O} 2 were obtained by the reaction of a novel cationic template L1 with CuSCN and AgSCN, respectively. The two new compounds were characterized by IR, UV–Vis, elemental analysis, powder X-ray diffraction (PXRD) and thermogravimetric analysis (TG). The photocatalytic degradation effects of compounds 1 and 2 on TC and NOR in solution were also studied, the results showed that the degradation efficiency of compound 1 was always higher than that of compound 2. And compound 1 was taken as an example to explore the factors affecting photocatalytic degradation and catalyst cycle. The photocatalytic mechanism of compound 1 was also revealed. And it was found that compound 1 had good degradation effect on norfloxacin and was expected to become a potential high-efficiency photocatalyst. Finally, the fluorescence response to various metal ions was studied, and it was found that they had obvious recognition effect on Fe3+.

In this work, vapor-phase crystallization method (VPC) was used to form sodalite from coal fly ash, a waste material obtained from burning coal in thermoelectric power plants. During the experiments, raw material was contacted only with steam from distilled water heated at 45, 60 and 90 °C. The preliminary results indicated that VPC treatment controls the zeolite synthesis through an intermediate mechanism between solid-state transformation and hydrothermal synthesis. The increasing sodalite-cancrinite interzeolite formation up to 90 °C confirms this mechanism. In detail, the data show the sodalite crystallization at 45 °C. The amount of this newly formed phase increases up to 60 °C, showing a better defined shape at this temperature. VPC treatment at 90 °C determines a progressive sodalite transformation into cancrinite and/or nosean. Compared to other conventional methods for zeolite synthesis, the steam assisted process results in less liquid waste production thus offering many advantages for the environment.

In this work, copper oxide nanoparticles (CuO NPs) were successfully synthesized by a simple chemical process. After conjugation of 3-glycidoxypropyltrimethoxysilane (GPTMS), the surfaces of CuO NPs@ GPTMS were functionalized with hyaluronic acid (HA) and folic acid (FA) for the formation of CuO NPs@ GPTMS@HA-FA. The samples were characterized by field emission scanning electron microscopy (FE-SEM) and X-ray diffraction (XRD). Surface modification of CuO NPs with Fourier-transform infrared (FT-IR), thermo-gravimetric analysis (TGA), and CHN analysis was proven. Imatinib mesylate (IM) adsorption was studied under various conditions. The maximum sorption capacity was achieved at pH = 6, a contact time of 30 min, an adsorbent dosage of 0.01 g, and a temperature of 298 K. The evaluation of kinetic and isotherm models showed that the pseudo-second-order and Langmuir models were selected as the best fitting model to describe the adsorption method. In vitro release investigations of IM from the CuO NPs@ GPTMS@HA-FA were performed in stimulated human blood fluid (pH = 7.4) and cancer fluid (pH = 5.6) at 37 °C. Release of − 47.10% of IM from CuO NPs@ GPTMS@HA-FA was observed within a period of 6 h at pH = 5.6. The investigation shows that IM, an anticancer drug can be successfully entrapped in the CuO NPs@ GPTMS@HA-FA for the targeted delivery of cancer therapy.