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In the present study, combustion technique is adopted to study the impact of Mg2+ ion doping on ZnAI2O4 nanoparticles (NPs). L-arginine is used as a fuel component. The Mg2+ ions play a pivotal role in persuading various characteristics of ZnAI2O4 NPs. Various characterization technqiues such as Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), energy dispersive X-ray analysis (EDX), high resolution scanning electron microscopy (HR-SEM), diffuse reflectance spectroscopy (DRS), Thermo-gravimetric/differential thermal analysis (TG-DTA) and vibrating sample magnetometer (VSM) were carried out in order to synthesize the nanoparticles. Single phase cubic spinel structure of ZnAl2O4 (gahnite) formation was confirmed from the XRD characterization process of the nanoparticles. Estimated average crystallite size range of 11.85 nm to 19.02 nm was observed from Debye-Scherrer. Spherical morphology with uniform distributions was observed from HR-SEM characterization images. From the band gap studies, the attained band gap values were found to lie within 5.41 eV–4.66 eV range. The ZnAl2O4 and Mg:ZnAl2O4 NPs exhibited super-paramagnetic nature confirmed by magnetic measurements. The obtained results make ZnAl2O 4and Mg:ZnAl2O4 NPs appropriate for various optical, catalytic, energy and data storage applications.

Organic-inorganic hybrid formamidinium lead iodide (FAPbI3) perovskite has shown tremendous attention in recently developed photovoltaics and optelectronic devices. However, it suffers from structural instability complications, particularly the spontaneous phase transition from a dark color photoactive perovskite phase (α-FAPbI3) to a yellow color photo-inactive phase (δ-FAPbI3) at room temperature. To stabilize the photoactive α-FAPbI3, several methods were employed, including compositional engineering, 2D layer deposition on the surface, and solvent engineering method. In this communication, we have proposed a facile sequential rapid annealing method to produce the photoactive α-FAPbI3 perovskite on an industrial scale, which is highly stable at room temperature. The structural, morphological, compositional, and optical properties of the perovskite were studied using X-ray diffraction (XRD), UV-visible absorption, Laser Raman, thermogravimetric analysis (TGA), and field emission electron microscopy with elemental analysis (FE-SEM & EDAX). The strong characteristic diffraction peaks of cubic structure in XRD showed the proposed additives free preparation method is more adaptable for the preparation of high quality α-FAPbI3 perovskite for optoelectronic applications. © 2021 The Author(s). Dr. G. Murugadoss acknowledges to the management of Sathyabama Institute of Science and Technology, Chennai, Tamilnadu, India for provided lab facility. We extend their appreciation to the Deputyship for Research & Innovation, “Ministry of Education” in Saudi Arabia for funding this research work through the project no. ( IFKSURG-1440-014 ).

© 2021 Informa UK Limited, trading as Taylor & Francis Group. This is the accepted manuscript version of an article which has been published in final form at https://doi.org/10.1080/10667857.2021.1915056

The present study deals with the green synthesis, physical characterization, and antibacterial activity testing of various metal oxide nanoparticles (NPs) formed by making use of the star fruit ext...

Silver nanoparticles decorated on nanotubes morphology of Bismuth doped manganese oxide (Bi-MnOx) was prepared by Triton-X-100 polymer assisted precipitation process. In the second step, Ag nanoparticle with very fine particle size and graphene nanoparticle deposition by high power ultra-sonication method. Biogenic route synthesized silver nanoparticles have forms the spherical particle morphology with particle size obtained

The present work proposes an improved multi-gate designs (MGDs) in sand casting process, using both experimental and simulation (FLOW 3D) approaches, aiming to produce defect-free component. In this regard, the variant MGDs were developed and compared with the existing designs reported in the previous studies. Accordingly, the following new MGDs: side sprue serial connection (SSSC), centre sprue serial connection (CSSC), side sprue parallel connection (SSPC), centre sprue parallel connection (CSPC) and centre sprue runner extension parallel connection (CS-RE-PC) were modelled for both techniques. The experimental set-ups were developed for the aforementioned designs to study the flow behaviour of aluminium alloy and water. The validity of aluminium alloy flow characteristics in closed mould condition was checked with the water mould experimentation. The quality of the casting was examined by visual inspection, optical microscopy, ultrasonic and X-ray tests. From the results obtained, it was evident that CS-RE-PC mould set-up or design was most suitable with a runner system for four-cavity application. This design exhibited best flow rate, as a nearly defect-free casting component was produced. Comparison of the FLOW 3D simulation results with similar experimental findings provided potential opportunity to reduce both cast product rejection rate and rework, and consequently it aids enhancement of the productivity and profitability in a manufacturing/casting industry.

Hydroxyapatite (HAP) is the naturally occurring mineral form of calcium apatite and the most studied material as a bone substituent. Considering HAP's inherent properties, this study explored changes in HAP's characteristics from doping with other metals such as Fe. To form pure HAP and Fe-HAP with different amounts of Fe, we used the hydrothermal approach, and the composites that formed were thoroughly analyzed for their crystallinity, surface bonding, morphology, magnetic behavior, mechanical strength, biocompatibility, hemocompatibility, and in vitro cytotoxicity. The powder XRD studies confirmed the samples' crystallinity, and the lowest crystalline size was 19.7 nm in 10Fe-HAP. The FTIR analysis confirmed the formation of HAP by the hydroxyl, phosphate, and carbonate groups. The FESEM demonstrated that the morphology of the pure HAP was rod-shaped, which transformed into spheres after Fe doping. The EDS analysis confirmed the successful formation of HAP and Fe-HAP composites. The magnetic studies indicated the diamagnetic behavior of the pure HAP, while the Fe-doped HAPs had a superparamagnetic nature with saturation magnetizations (Ms) of 2Fe-HAP, 4Fe-HAP, and 10Fe-HAP at 0.0062, 0.0092, and 0.029 emu/g respectively. Assessment of the mechanical properties, biocompatibility, hemocompatibility, and cytotoxicity indicated that the Fe-doped HAPs were superior to the pure HAP, and among the Fe-HAPs, the 10Fe-HAP) had the highest amount of Fe and the best characteristics. The studies also indicated that Ca2+ interactions influenced the cells via HAP doping with that of Fe, equally increasing the physicochemical and biological properties.

Cadmium oxide (CdO) had long been investigated for decades as prototypical wide-band-gap transparent conducting oxides (TCOs) possessing excellent n-type ability having its implications in the field of photo electronics. Despite this, there exists an uncertainty on the toxicity of CdO content during the synthesis and product retrieval which limits their use in biological applications. In this context, an approach to enhance the inbuilt properties of CdO particles by the means of loading (in coating form) with gold (Au) nanoparticles (NPs) to generate Au@CdO nanoconstructs (NCs) has been reported. Thus, formed Au@CdO NCs have been characterized by various spectroscopic and electron microscopic analysis for the structural, optical, and biological properties. For example, the UV–Vis spectroscopy revealed a typical λmax of CdO at 302 nm, and for the Au@CdO, a shift toward 496 nm was observed. The diffraction pattern demonstrated the crystalline phase corresponding to (1 1 1) plane with mean grain sizes of 24.9 and 30.6 nm for the CdO and Au@CdO, respectively. The FTIR and optical studies highlighted the intermolecular bonding with an increased bandgap confirming the efficient coating of Au onto CdO. The FESEM demonstrated spherical-to-elliptical-shaped anisotropic particles following the coating of CdO with Au and the grain size getting increased from 30 to 42 nm. On testing of the photocatalytic activity, we found that the Au@CdO NCs efficiently degraded the Rhodamine B dye (96% in 180 min) following the irradiation under artificial UV light. Furthermore, the Au@CdO NCs showed a significant antimicrobial effect at 80 μg/mL associated with a decline in the cell count. Alongside, the IC50 of Au@CdO against A549 and PBMC cells was fixed at 46.87 and 55.14 μg/mL, respectively. Such multifaceted Au@CdO NCs possessing optical properties might present themselves as the potential candidates for the extended photocatalytic and biomedical applications.

© 2020 Taylor & Francis. This is an Accepted Manuscript of an article published by Taylor & Francis in Journal of Natural Fibers on 06/12/2020, available online: https://doi.org/10.1080/15440478.2020.1848743.

Fibre reinforced polymer (FRP) hybrid composites builds vertically due to the achievement of custom-made properties with lightweight. However, these materials have finding limitations in exceptional circumstances due to the unpredicted sustainability. Hence, it is necessary to create the database for the durable and sustainable low-density FRP hybrid composites with the support of significant experimental investigations. This review paper is mainly covers durability studies of various FRP hybrid composites under different environmental conditions. The thermal ageing, hydrothermal ageing, sea water, acid and alkali environment, ultraviolet radiation and stress cycle effects were extensively discussed with suitable scientific evidence in this work. Further, most of the FRP composites are rapidly degraded by underwater conditions at high temperatures. The failure mechanisms such as delamination, degradation of fibre and matrix, poor interfacial adhesion, matrix surface cracking, etc. are found to be dominant in the FRP composites under the hydrothermal and acid environment conditions also covered. The combination of natural/synthetic hybrid composites and addition of some nano fillers enhance the durability performance of hybrid composites significantly. However, ageing properties of hybrid polymer composites in different environment conditions need to study for various applications. The review process revealed that the life cycles of hybrid FRP composites mainly affected by stress cycle based on continuous usage.

Titanium oxide (TiO2) is one of the most scrutinized material because of its in-built fundamental properties and has been developed as an outstanding photo-catalytic material intended for many different industrial applications. In order to further explore the properties of TiO2, we prepared Copper-loaded TiO2 (Cu-TiO2) nanoparticles (NPs) for inhibiting the growth of bacterial cells and also to serve as a chemical sensor. The physico-chemical characteristics of the synthesized Cu-TiO2 NPs were characterized by many different techniques for the crystallinity, bonding and functionality, morphology, elemental composition, and absorption characteristics. From the results, we confirm for the formation of anatase phase of TiO2 having a tetragonal crystal system, while the morphology studies indicated that the Cu dope TiO2 has spherical morphology. The elemental analysis confirmed for the inclusion of Cu into TiO2 crystal lattice and the absorption spectroscopic analysis helped for the bandgap calculation and visible light absorption property of Cu-TiO2 NPs. The metal nanoclusters of Cu are observed to be deposited on different phases and sites of TiO2 resulting in the inter-band transitions. Further, the sensitivity of Cu-TiO2 as a chemical sensor is determined by fabricating the electrode at the FTO glass substrate where the ethanol sensitivity was found to be little increased/enhanced with Cu loading. Finally, the antibacterial activity of Cu-TiO2 NPs was confirmed by its activity against various bacterial cultures and are found to be efficient.

The objective of this work is to develop cost-effective, reliable, and large-scale production of metallic nanoparticles (NPs) by adopting green chemistry principles for industrial applications. In that view, we have studied the phytochemical reducibility of silver nitrate by making use of Calotropis Procera (Ait.) R. Br root extract, and based on its medicinal properties, an attempt was made to evaluate the therapeutic potentials of silver (Ag) NPs containing this plant extract towards the clinical strains of bacteria. The optimization studies on reducing the potentials were done considering the concentration, pH, temperature, and reaction period of both the extract and the metal precursor. The nanoarchitecture elements were interpreted using visual, spectroscopic, and microscopic analyses cohorting the antibacterial potentials towards the clinically significant strains. The antimicrobial activity exercised by these Ag NPs towards 10 different strains of medically important bacteria at a given concentration was proved to be significant. The antimicrobial potential was further validated quantitatively, and the MIC/MBC concentration values were determined. Finally, the cytotoxicity of Ag NPs when tested against the HEPK cell line indicated that the metal-phytochemical moiety exhibited the maximum therapeutic efficacy and thereby paving the way for the development of disruptive technologies in the field of nanomedicine.

The storage, utilization, and control of the greenhouse (CO2) gas is a topic of interest for researchers in academia and society. The present review article is dedicating to cover the overall role of ionic liquid-modified hybrid materials in cycloaddition reactions. Special emphasis is on the synthesis of various cyclic carbonate using ionic liquid-based modified catalysts. Catalytic activity studies have discussed with respect to process conditions and their effects on conversion and product selectivity for the reaction of cycloaddition of CO2 with styrene oxide. The reaction temperature and the partial pressure of CO2 have found to play a key role in cyclic carbonate formation. The role of other influential parameter (solvent effect) is also discussed for the conversion of cyclic/aromatic oxides to polycarbonate production. Our own research work that deals with ionic liquid-based halide-modified mesoporous catalyst (MCM-41 type) derived from rice husk waste has also been discussed. Finally, the role of carbon dioxide activation and ring-opening mechanisms involved in the cyclic carbonate product formation from CO2 have been discussed.

Aerospace and automobile industries are facing challenges in developing lightweight materials with high corrosion and wear resistance. The magnesium (Mg) alloys are superior to their monolithics, as they have maximum strength-to-weight ratio. These challenges can be solved with application of Mg-based hybrid composites. Therefore, this study investigated the hybridizing effect of molybdenum disulphide (MoS2) reinforcement on tribological performance of magnesium–boron carbide (Mg–B4C) hybrid composites, fabricated by powder metallurgy technique. Wear tests under dry sliding condition were carried out on the prepared composite samples with different proportions/weight percentage (wt%), using a pin-on-disc apparatus. Mg, MoS2, B4C and their various composites were characterized, using X-ray diffraction, thermogravimetric analysis, scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy analysis. The experiments were conducted using L27 orthogonal array with five factors at three levels that affected the tribological performance. The wear resistance of the hybrid Mg–B4C–MoS2 composites significantly increased when compared with Mg–B4C and Mg–MoS2 composites, due to the refined effect of both reinforcements. Analysis of variance and grey-relational analysis result showed that increase in MoS2, sliding distance (DSl) and load (LSl) significantly influenced the tribological performance of the hybrid composites. Mg–10wt%B4C–5wt%MoS2 exhibited significant best improvement on the multi-response tribological performance. The optimum quantity of MoS2 reinforcement was around 7 wt%. Beyond this threshold proportion, wear was significantly increased, due to the agglomeration of MoS2 particles. Hardness of the composites increased with hybridized reinforcements. SEM micrographs depicted the homogeneous dispersion of reinforcements in the Mg matrix. Also, SEM micrographs of the worn surfaces confirmed that delamination wear mechanism was dominant on the Mg hybrid composites.

The monitoring of chemical and antibiotic residues like amoxicillin, penicillin, tetracycline, and vancomycin in the food originating from the animal and plant sources can prevent the humans from getting exposed to the antibiotic-induced allergic reactions and also decreased immunity towards the microbial population. By taking into consideration the necessity of developing effective and sensitive techniques for milk containing Penicillin G antibiotics in an easy and cost-effective mode, the present work deals with the electrochemical sensor made up of nickel nanoparticles (NiNPs). In order to enhance the chemical stability and biocompatibility, the NiNPs were crosslinked with (3-aminopropyl)triethoxysilane (APTES) and the formed composite was thoroughly characterized using the physical characterization techniques. In addition, the qualitative analysis results confirmed the nanocomposite’s synergetic effect towards the oxidation of Penicillin G. Further, the quantitative analysis towards the use of a nanocomposite electrode due to the changes in pH, scan rate, accumulation time and potential, nanoparticle (NP) amount, etc. was optimized. The limit of detection and limit of quantitation of Penicillin G with this composite were detected to be 0.00031 μM and 0.00100 μM, respectively. Overall, from the results, it can be indicated that the fabricated NiNP sensor can find its applications as a potential electrode material for the qualitative and quantitative analysis of Penicillin G in liquid samples.

Two new amphiphilic ionic liquids (AILs) were synthesized through the opening reaction of the epoxy ring of glycidyl 4-nonylphenyl ether (GNE) using ethanol amine (EA), followed by quaternization u...

Rutile phase of titanium oxide and platinum nanoparticle decorated rutile titania is prepared by a surfactant free hydrothermal process in acidic condition. The pure rutile phase of TiO2 particle is forms the specific cauliflower morphology. Hydrothermal process in presence of specific acid addition led to the formation of cauli-flower shaped rutile phase of titania. The efficiency and solar assisted photo catalytic ability of these materials are tested for methylene blue degradation as well as hydrogen generation by methanol reforming process. The X-ray diffraction of pattern of pure rutile phase formation is confirmed by reported JCPDS data. The surface physico-chemical property of prepared rutile Titania is further characterized by BET, Raman and SEM analysis. The HR-TEM of the prepared samples show the reduced particle size for rutile titania and studied their morphology in detail. Solar light assisted methylene blue degradation reaction was carrying out to study the catalytic efficiency towards dye degradation and kinetic activity of the same for prepared commercial titania and pure rutile TiO2. The platinum loaded and photo deposited rutile Titania is further analyzed for hydrogen production reaction by methanol reforming process. The rate of hydrogen evolution on platinum nanoparticle photo deposited on reforming process shows more than 900 μmol/g compared to pristine rutile titania catalysts.

Herein, we have reported a simple sonochemical synthesis of multi-layer graphene covered tungsten trioxide nanoballs (WO3 NBs) and the nanocomposite was characterized by FESEM, HRTEM, XRD, XPS, CV and EIS. Furthermore, progesterone (PGT) is a preferred marker for various biological problems like pregnancy problem, mood swings, anxiety, depression, nervousness and body pain. Therefore, its selective and sensitive determination in various biological fluids is beneficial for the evaluation of malformation problems. We describe the fabrication of an amperometric and non-enzymatic biosensor based on WO3 NBs@GR nanocomposite modified electrode for nanomolar detection of PGT. The results showed that the nanocomposite modified electrode exhibit well-defined electro-oxidation peak compared to bare and control electrodes, demonstrating the superior electrocatalytic ability and performances. The fabricated modified sensor was facilitates the analysis of PGT in the concentration ranges of 0.025–1792.5 µM with a low detection limit of 4.28 nM. Further, the as-prepared WO3 NBs@GR electrode has been applied to determination of PGT in human blood samples with outstanding recovery results and more importantly, the facile and environment-friendly sonochemical construction strategy extended here, may be open a cost-effective way for setting up the nanocomposites based (bio) sensing platform.

In continuation to our earlier work on nickel (Ni)-arsenate (As) composite, the current work deals with the electrical conductivity and mechanical resistivity of the same composite by means of its further reinforcement with the polylactic acid (PLA) polymer. For the PLA-Ni-As composite, we understand from the electrochemical studies that the conductivity is strongly influenced by the temperature and due to the presence of external electrolyte. The DC electrical conductivity approach used for the temperature dependency provided the information that the conductivity falls in the semiconductor zone ranging at 10−3 S cm−1, thereby indicating that it followed the Arrhenius equation. In addition, we found in terms of the mechanical properties that the PLA-Ni-As composite outperformed the plain, untreated Ni-As composite by reducing the activation energy. For the mechanical resistivity studies we found that the 25% PLA-loaded Ni-As material significantly improved the tensile strength and modulus, elongation at break %, impact properties and also the flexural strength and modulus as against the plain and other combinations due to enhanced interfacial interactions. The cell viability and proliferations studies tested against two different cell lines provided the information that the presence of polymer reduces the toxic response of arsenic material. From the cumulative analysis therefore, we indicate that the PLA-Ni-As composite can be a potential candidate to find its uses in the electrochemical and solar cells, in addition to automotive and aerospace industry.

The different type of halide modified mesoporous silica catalysts were prepared via post-grafting technique using meso-silica derived from rich husk by simple sol-gel method. The physico chemical characterizations of as prepared catalysts were characterized using FT-IR, N2-sorption-desorption study, 13C CP/MAS NMR and SEM techniques. FT-IR and 13C CP/MAS NMR revealed the effective anchorage of imidazole and 1,2-dihaloethane on the MCM-41. SEM analysis images shows the comprise worm-like agglomerated structure which was similar to MCM-41. The catalysts were then used in cycloaddition of carbon dioxide and phenyl glycidyl ether under solvent free or less conditions. Among the prepared catalyst, Br-immobilized MCM-41 shows higher catalytic activity (96.7%) under ambient reaction by adopting following conditions such as 100 °C, 20 bar initial CO2 pressure, 300 mg catalyst mass and 3 h. The conversion of phenyl glycidyl ether using ImI-MCM-41 and ImCl-MCM-41 are 77.3% and 26.4% respectively. The catalytic results are confirmed that the synergistic effect owing to the stronger nucleophilicity of bromide− and amine could be promoted the reaction smoothly. The catalyst was recovered and reused for four times without a significant decrease in activity or product selectivity. A possible site for CO2 activation by ImBr-MCM-41 catalyst could be the potential ionic liquid mimic's halide immobilized MCM-41 like material for efficient conversion of the substrates such as phenyl glycidyl ether and Epoxy hexane for cycloaddition reactions have been demonstrated.

In view of the methyl orange (MO) dye on everyday applications in the textile, food, leather, paper, printing, and pharmaceuticals industry, in addition to its toxic behaviour on human health, we have developed a biodegradable polylactic acid (PLA)-based cerium dioxide (CeO2)-graphene oxide (GO) composite by means of a sol-gel technique and tested its efficacy. For the study, the PLA polymer obtained is of renewable agriculture waste origin (sugarcane bagasse) and was isolated by means of fermentation of the feedstock followed by the polymerization of lactic acid. The instrumental techniques such as the powdered x-ray diffraction, scanning electron microscopy etc. were employed for the physical characterization of the material. The various parameters such as the kinetics, desorption, regeneration, pH, isotherm theories, and ionic strength were tested towards the adsorption of MO dye onto the surface of GO-PLA-CeO2 composite. The outcome of the study exhibited that the GO-PLA-CeO2 composite revealed promising behaviour for the dye removal, which was allocated to the efficacy of GO, PLA, and CeO2 properties. Also, the adsorption process of GO-PLA-CeO2 is completely dependent on the initial concentration of MO and the adsorption equilibrium fitted well with the Langmuir isotherm. In addition, the electrochemical characterization of the composite was studied by means of CV and impedance measurements. Based on the outcome of the results, it can be said that the GO-PLA-CeO2 composite may be applied as a suitable electrode material along with its efficient adsorption properties for the removal of MO dye from wastewater.

Cobalt oxide nanorods were successfully synthesized by a hot plate combustion method using the plant extract of Vitis vinifera. The plant extract as an alternative to toxic chemicals can be used generally as reducing and capping agents. The obtained nanorods were characterized by XRD, FT-IR, Raman, TEM, SAED, EDX, DRS, PL and VSM techniques for the structural, morphological, optical and magnetic properties. The XRD, FT-IR, Raman, EDX analysis confirmed the high purity of the sample. The TEM and SAED results showed the rod shape morphology of the sample. DRS and PL showed the band gap energy and emission at visible region. VSM showed the antiferromagnetic nature of the sample. The photocatalytic activities of the as-prepared cobalt oxide nanorods were investigated for the degradation of textile dying waste water. As per the standards of Indian pollution control board for industrial waste water let out into river bodies, the degradation reactions of waste water was found to be 250 mg/L at 150 min. Also, the same catalyst is used for the reduction of 4-nitrophenol and 4-nitroaniline using sodium borohydride as a reducing agent and it exhibits excellent reduction reaction, because of the high active surface sites. The time taken for the reduction reaction was 300 sec and 210 sec for 4-nitrophenol and 4-nitroaniline respectively. Also, the antibacterial activities towards the bacterial strains were studied and reported.

Anti-amyloidogenic activity of safranal towards induced HSA amyloids has been observed using a variety of techniques including fluorescence, UV–visible, CD, DLS and microscopies. The HSA solution was pre-incubated at 65 °C for 120 h and, in between, the growth of amyloid fibrils, using ThT aggregation kinetics, was monitored at different time intervals. It was found that the amyloid fibril formation of HSA diminishes in presence of safranal and the inhibition was concentration dependent. The surface hydrophobicity of HSA amyloid fibrils also decreased in presence of safranal. The increased CR binding of HSA fibrils also decreased and high concentration of safranal causes the CR binding to resemble like that of native HSA. Both RLS and turbidity intensities were also in inverse relation to the safranal concentration. Safranal also has a good impact to protect the secondary structure of incubated HSA. From the electron microscopy it was seen that the fibrillar network of HSA amyloids gradually vanishes as the concentration of safranal increased. The largely decreased population of HSA aggregates in safranal containing solution as compared to the one without it also suggests the inhibition of formation of large fibrillar aggregates.

The silane amide precursors were prepared by amidation of oleic and stearic acid with γ-aminopropyltriethoxysilane. The stearyl and oleyl amines were added to vinyl trimethoxy silane to synthesize aminosilane precursors. The chemical structures, surface morphology, thermal stability of the prepared hydrophobic silica nanoparticles were investigated. The wetting characteristics, mechanical properties, thermal stability and corrosion resistance of the prepared hydrophobic silica nanoparticles with epoxy composites coated on the steel panels were studied. The data confirm that the all the prepared hydrophobic silica show higher contact angles (100-110°) when blended with epoxy up to 3Wt %. Moreover, the dispersion, hydrophobicity and paraffin wax contents of silica nanoparticles embedded into epoxy networks control the high corrosion resistivity of the composites as organic coatings of steel substrate. The salt spray resistance data elucidate that the epoxy modified with 1 Wt % of the hydrophobic silica/paraffin wax achieved higher salt spray resistances up to 1500 h with high rating.

Molecular interaction between BSA and safranal was seen in the present study using experimental and molecular docking methods, in addition, inhibitory effect of safranal towards BSA amyloid formation was also seen. UV–visible and fluorescence studies suggested the formation of 1:1 complex between BSA and safranal via static quenching mechanism. The corrected fluorescence spectra showed a blue shift in the emission maximum on the successive addition of safranal which revealed the involvement of hydrophobic forces in the interaction. Far-UV CD measurements suggested the stabilization of secondary structure of BSA by increasing its α-helical contents, i.e., compaction of protein and that was further supported by RLS and DLS methods. Analysis of thermodynamic parameters presented that hydrophobic forces as well as hydrogen bonding were involved in the binding. From the competitive assay and molecular docking simulations it was found that safranal binds near the Sudlow's site 1 in the subdomain IIA and most of the amino acids residues bound with hydrophobic forces and a few with hydrogen bonding. Safranal was found to inhibit the BSA amyloid formation and the inhibition was concentration dependent. Exposed surface hydrophobicity of BSA amyloid fibrils was decreased considerably in presence of safranal.

Fluorescent labeling is limited to certain molecules and alters biomolecule functionality. A new class of nanomaterial with anticancer activity and fluorescence properties has been designed and prepared. This nanotherapeutic conjugate of natural molecules has a selective binding site in cancer cell lines. Natural drug umbelliferone was taken with cobalt metal ions in a one pot assembly in the presence of tannic acid which yields new fluorescent nanoparticles of umbelliferone cobalt oxide nanoconjugate. Umbelliferone has high fluorescent properties and also has coordination ability to bind with central metal ions. The nanoconjugate was synthesized and characterized by using TEM, EDX analysis, SEM, XRD, and FTIR spectroscopy. TEM shows that the average size of the particles formed with umbelliferone is ∼20 nm. The solubility of the drug nanoparticles in water showed compatibility with cancer cells and provided a favorable environment to investigate the mechanism of action on the MCF-7 cell line. The nanoconjugate is microcrystalline in nature and gives a clear suspension in water. The nanocobalt conjugate was loaded on TiO2 nanoparticles by ultrasonication, and the solution was digested overnight. The conjugate of the drug with a TiO2 drug carrier was stable in solution and maintained the nanostructure ∼34.6 nm. A comparative study with nano-vehicle TiO2 and the nanoconjugate was performed. TiO2 was used to compare the anti-cancer activity of the nanoconjugate at low dose in vitro. It was observed that the nanoconjugate with TiO2 is capable of reaching the specific target like the TiO2 nanoparticle and enhance the chemotherapeutic impact. Hence, the nanoconjugate can also be used like nano-TiO2, as the drug and carrier. The ct-DNA and HSA protein binding studies were done and validated by docking studies.

Herein we have studied the noncovalent molecular interactions between hen egg white lysozyme (HEWL) and the commonly employed antineoplastic drug gemcitabine through the cumulative implementation of spectroscopic techniques and in silico approaches. The formation of a complex between HEWL and gemcitabine was made evident by the differences between the UV-visible spectra of the protein and protein-gemcitabine complex. Fluorescence quenching of HEWL by gemcitabine was hardly detectable at room temperature, but it became prominent at higher temperatures. Very low values for the bimolecular quenching constant and the non-reciprocal dependence of quenching on temperature indicated that dynamic quenching was taking place. Analysis of experimental data indicated that the interaction was dominated by hydrophobic forces, while the results of a computational investigation suggested the concomitant contribution of hydrogen bonding. Gemcitabine binding induced modifications of the secondary structure of HEWL by slightly increasing the α-helical content of the protein. Finally, gemcitabine binding site was inferred to be located in HEWL big hydrophobic cavity.

Two novel amphiphilic polyethylene amine terephthalate have been prepared via the glycolsis of polyethylene terephthalate (PET). The product, bis (2-hydroxyethyl terephthalate) (BHET), was converted to the corresponding dialkyl halide, bis(2-chloroethyl) terephthalate (BCET), using thionyl chloride (TC). This dialkyl compound was used for alkylation of dodecyl amine (DOA) and tetraethylenepentamine (TEPA) or pentaethylenehexamine (PEHA) to form the corresponding polyethylene amine terephthalate, i.e., DOAT and DOAP, respectively. Their chemical structure, surface tension, interfacial tension (IFT), and dynamic light scattering (DLS) were determined using different techniques. The efficiency of the prepared polyethylene amine terephthalate to demulsify water in heavy crude (W/O) emulsions was also determined and found to increase as their concentrations increased. Moreover, DOAT showed faster and higher efficiency, and cleaner separation than DOAP.

A novel hybrid nanomaterial based on silver nanoparticles, AgNPs, supported by 2,4-dihydrazino-6-(methoxypolyethyleneglycol)-1,3,5-triazine (mPEGTH) was prepared using solid phase technique. The synthesis process and the structural properties of the AgNPs were analyzed through X-ray diffraction (XRD), thermogravimetric analysis (TGA), transmittance and scanning electron microscopy (TEM and SEM). The effect of seawater, and pH of solutions on the aggregation and zeta potential of Ag NPs were characterized and identified. The Ag/mPEGTH, hybrid materials produced well dispersion and exhibit a remarkable superiority in enhancing the anticorrosion performance of epoxy coatings and fulfill a significant synergistic effect in anticorrosion and self-healing performance for epoxy composite coatings. The new self-healing mechanism of Ag/mPEGTH nanomaterial for the epoxy coating defects is tentatively proposed and discussed.

For determining the pharmacological properties of medicinal compounds, their binding with serum albumins is very crucial. Herein, we have selected safranal, a major constituent of saffron which is known to retain a number of medicinal properties including antioxidant, anti-inflammatory, tumoricidal, anti-genotoxic, and anti-aging activities; and studied its mechanism of binding with human serum albumin at physiological pH using various spectroscopic methods along with computational approach using molecular docking. A change in the difference UV-visible spectrum of HSA in presence of safranal was found which is due to the complex formation. Owing to the strong absorption of safranal at the fluorescence excitation wavelength of HSA (295 nm) and in the whole range of emission, the fluorescence spectra of HSA in presence of safranal were corrected for the inner filter effect. After the correction the spectra were free from the safranal absorption effect and it was found that addition of safranal causes the quenching of HSA fluorescence and a blue shift of the emission maximum which are attributed to the binding of safranal to the protein and dominance of hydrophobic forces in the interaction, respectively. It was evident from the comparison of observed and corrected fluorescence spectra that before correction there was a large red shift while after correction appearance of blue shift was occurred. The involvement of hydrophobic interaction was also found from the extrinsic fluorescence measurements using ANS dye as well as from the analyzed thermodynamic parameters. Safranal was found to partially induce the secondary structure of HSA as construed from the CD measurements. The size of the HSA was also decreased as evident from the DLS and RLS measurements. Both site marker studies and molecular docking simulations suggested that the primary binding site of the safranal in the HSA is Sudlow's site 1 located in the subdomain IIA. Hydrophobic interaction provides the major contribution to the binding forces along with a little amount of hydrogen bonding.

New crosslinked Poly(ionic liquids), PILs, cryogels based on 2-acrylamido- 2-methylpropane sulfonic acid, AMPS, were prepared and copolymerized with acrylic acid, acrylamide or 2-hydroxyethyl methacrylate in the presence of triethanolamine. The crosslinking copolymerization of AMPS were carried in the presence of water at cooling temperature in the presence of amoniumpersulfate, N,N, N′, N′ tetramethylethylenediamine and N , N ′-methylenebisacrylamide as radical initiator, activator and crosslinker, respectively. The chemical structures, surface morphologies of the PILs cryogels were investigated. The PILs cryogels showed high thermal stability and interconnected pores. The cryogels achieved high adsorption capacity as 1228 mg·g −1 for removal of MB from aqueous solution during contact times ranged from 5 to 10 min. New mechanism for chemisorption of MB with the active centers of PIL cryogels is proposed and elucidated.

An n-butyl bromide/sodium dodecyl sulfate/n-butanol/water microemulsion system was chosen as a model of an organohalide-containing microemulsion. Two systems were prepared using the Bourayne method...

The present study deal with the fabrication of low cost nanocomposite based electrodes based on Nickel foam binder free substrate for supercapacitor applications. The composition of nanocomposite is molybdenum sulphide nanoparticle/graphene coated on mesoporous manganese oxide. The first step is to involve the preparation of mesoporous manganese oxide by non-ionic surfactant assisted method. In the second stage is to deposit the reduced graphene on mesoporous manganese oxide in the presence of ultrasonic irradiation followed by addition of known quantity of commercial MoS2 nanopowder (particle size below 90 nm). The manganese oxide based nanocomposite is showing porous architecture with graphene sheet formation together with MoS2 nanoparticle deposition. N2 adsorption-desorption Isotherm curves for MoS2 nanoparticle (NP) modified graphene oxide/meso-MnO2 and pure meso-MnO2 displayed type IV isotherm with improved surface area values. The reduced graphene oxide (graphene) and MoS2 exist in the form of glassy flaky morphology as well as tubular/needle shapes are obtained after the deposition process in the final nanocomposite. The orderly arranged and anchored nano-sized mesoporous manganese oxide nanocomposites are showed increased specific capacitance (up to 527, 727 and 1160 F/g) and continuous cyclic stability.

In this work, new smart mesoporous amine-functionalized silica nanoparticles were prepared from hydrolyzing microgels based on N-isopropyl acrylamide-co-vinyltrimethoxysilane microgels with tetraethoxysilicate and 3-aminopropyltriethoxysilane by sol-gel method. The thermal stability and Fourier transform infrared were used to determine the amine contents of the silica nanoparticles. The pH sensitivity of the synthesized silica nanoparticles in their aqueous solutions was evaluated by using dynamic light scattering (DLS) and zeta potential measurements. The porosity of the amine-functionalized silica nanoparticles was evaluated from a transmittance electron microscope and Brunauer-Emmett-Teller (BET) plot. The results have positively recommended the pH-sensitive amine-functionalized silica nanoparticles as one of the effective nano-adsorbent to remove 313 mg&middot, g&minus, 1 of CB-R250 water pollutant.

New hybrid nanomaterials based on Fe 3 O 4 and Ag/Ag 2 O nanoparticles (NPs) supported by 2,4-dihydrazino-6-(methoxypolyethyleneglycol)-1,3,5-triazine (mPEGTH) were successfully synthesized without using reducing agents in both solution and solid phases. The mechanism for Fe 3 O 4 and Ag/Ag 2 O NPs formation in the presence of mPEGTH, their chemical structures, surface morphologies, crystal structures, thermal stabilities and mPEGTH contents were characterized and identified. The effects of seawater salinity and pH of solutions on the Fe 3 O 4 and Ag/Ag 2 O NPs surface charges and particle sizes distributions were examined to investigate their performances under aggressive conditions. It was found that, the Fe 3 O 4 /mPEGTH, hybrid nanomaterials obtained good dispersed NPs and exhibit a remarkable superiority in enhancing the anticorrosion performance of epoxy coatings more than Ag/Ag 2 O NPs. The Fe 3 O 4 /mPEGTH nanomaterials achieved significant synergistic effect to improve the anticorrosion and self-healing performances for epoxy composite coatings. They achieved higher salt spray resistance up to 1500 h without rust formation. The new self-healing mechanism of Fe 3 O 4 /mPEGTH nanomaterials was tentatively discussed.

Abstarct Nanosized TiO2 and various transition metal ions (Fe, Co and Ni) doped TiO2 were prepared through hydrothermal method. Thermal analysis confirms the formation of crystalline TiO2. The powder X-ray diffraction patterns of all the materials show crystalline anatase TiO2 with crystallite size in the range of 22–23 nm. Raman spectra show respective modes corresponding to anatase TiO2 and also it coincides with the XRD data. The DR UV–vis spectra of 0.01 (Fe-, Co-, Ni)-TiO2 extends to the visible region (450–650 nm). The extended absorbance of these materials into the visible region provides enhanced photosensitive applications under sunlight. The degradation rate of Methylene blue (MB) was used to evaluate the photosensitive activity under visible light irradiation. Results suggest that 0.01Fe- TiO2, 0.01Co- TiO2 and 0.01Ni-TiO2 materials can potential be used for the generation of future fuel hydrogen by water splitting using solar radiation.

In the present study, iminodiacetic acid (IDA)-modified kenaf fiber, K-IDA formed by the chemical modification of plant kenaf biomass was tested for its efficacy as a sorbent material towards the purification of waste water. The K-IDA fiber was first characterized by the instrumental techniques like Fourier transform infrared (FTIR) analysis, elemental analysis (CHNSO), and scanning electron microscopy (SEM). On testing for the biosorption, we found that the K-IDA has an increment in the adsorption of Cu2+ ions as compared against the untreated fiber. The Cu2+ ions adsorption onto K-IDA fits very well with the Langmuir model and the adsorption maximum achieved to be 91.74mg/g. Further, the adsorption kinetics observed to be pseudo second-order kinetics model and the Cu2+ ions adsorption is a spontaneous endothermic process. The desorption study indicates a highest percentage of Cu2+ of 97.59% from K-IDA under 1M HCl solution against H2SO4 (72.59%) and HNO3 (68.66%). The reusability study indicates that the efficiency did not change much until the 4th cycle and also providing enough evidence for the engagement of our biodegradable K-IDA fiber towards the removal of Cu2+ ions in real-time waste water samples obtained from the electroplating and wood treatment industries.

The interaction between procainamide with ct-DNA was seen through several experimental and theoretical methods. The fluorescence intensity of procainamide decreased on increasing the concentration of ct-DNA and the quenching process was found to be static with approximately 1:1 binding between ct-DNA and procainamide. UV absorption spectroscopy gave an idea about minor groove binding which was further confirmed by the dye displacement method of DAPI/EtBr bounded ct-DNA interaction. Minor groove binding was also evidenced from the collective information obtained from DNA melting, viscosity and CD spectroscopy. Molecular docking simulations presented that procainamide bound in the minor groove (AT rich) region of B-DNA structures. From thermodynamic point of view the binding interaction between procainamide and ct-DNA was spontaneous process with liberation of energy and overall ordering of system. Hydrogen bonding was found to play important role as suggested by the values of thermodynamic parameters. Whereas from molecular docking simulations it was exposed that hydrogen bonding and hydrophobic interactions were crucial in the binding of ct-DNA and procainamide. DFT method was also used to calculate the Frontier molecular orbitals (HOMO and LUMO) of procainamide which were further used to calculate chemical potential (μ), chemical hardness (η) and fraction number of electrons (ΔN) from procainamide to DNA. Procainamide was found to act as electron donor to DNA bases excpet guanine. Finally, elucidation of anticancer activity revealed that procainamide possesses potential cytotoxicity against MCF-7 breast cancer cells and able to induce significant level of apoptosis at concentrations below IC50 value.

The present report deals with the synthesis, characterization and testing of an ethyl cellulose–calcium(II) hydrogen phosphate (EC–CaHPO4) composite, where a sol–gel synthesis method was applied for the preparation of the composite so as to test its efficacy towards the electrochemical, biological, and adsorption related applications. The physical properties of the composite were characterized by using scanning electron microscopy (SEM), ultraviolet– visible (UV–Vis) spectroscopy, and fourier transform-infrared (FTIR) spectroscopy. On testing, the mechanical properties indicated that the composite is highly stable due to the cross-linked rigid framework and the enhanced interactions offered by the EC polymer supported for its binding very effectively. In addition, the conductivity of EC–CaHPO4 is completely governed by the transport mechanism where the electrolyte concentration has preference towards the adsorption of ions and the variations in the conductivity significantly affected the material’s performance. We observed an increasing order of KCl > NaCl for the conductivity when 1:1 electrolytes were applied. Further, the material was tested for its usefulness towards the purification of industrial waste waters by removing harmful metal ions from the samples collected near the Aligarh city, India where the data indicates that the material has highest affinity towards Pb2+, Cu2+, Ni2+ and Fe3+ metal ions. Finally, the biological efficiency of the material was confirmed by means of testing the antibacterial activity against two gram positive (staphylococcus aureus and Bacillus thuringiensis) and two gram negative bacteriums (Pseudomonas aeruginosa and Patoea dispersa). Thus, from the cumulative study of outcomes, it indicates that the EC–CaHPO4 composite found to serve as a potential smart biomaterial due to its efficiency in many different applications that includes the electrical conductivity, adsorption capability, and antimicrobial activity.

The green chemicals based on bio-surface-active ionic liquids attracted great attention in the petroleum industry as a result of their high efficiency as multipurpose additives for the petroleum crude oils and their products. In the present work, the chemical structure of cardanol produced from cashew nut shell oil was modified and etherified with epichlorohydrine, tetraethylene glycol, and ethanolamine to produce branched non-ionic surfactants. The amine groups of the cardanoxy ethoxy branches were quaternized and polymerized using 2-acrylamido-2-methylpropane sulfonic acid to produce dendritic protic ionic liquid. The chemical structure, surface activity, ζ potential, and aggregation characteristics of the new modified dendritic non-ionic cardanoxy polyphenol and its poly(ionic liquid) in aqueous solution were analyzed and identified. Their applications as asphaltene dispersants and demulsifiers for the heavy petroleum crude oil emulsions were investigated to confirm their promising performances.

Application of ionic liquids (ILs) and their polymers (PILs) as green chemicals in the petroleum industry is an original area of the research study. This work aims to synthesize new amphiphilic ILs based on dialkyl substituted imidazolium cations as a head groups combine with acetate and 4-(trifluoromethoxy) phenyl borate anions. Their surface activity and aggregation behaviors, in toluene and aqueous medium, have been investigated by surface tension, particle size distribution and zeta potentials measurements. The sizes of aggregates in water and toluene solvents have been investigated from the dynamic light scattering (DLS) measurements. The demulsification mechanism for the heavy crude oil/water emulsions at low water contents has been estimated from the fluorescent optical microscope in the presence of the prepared ILs and PILs. The demulsification performance of ILs and PILs demulsifiers was found to be considerably improved with incorporation of oxyethylene units into hydrophobic imidazolium cations, and increment the content of 4-(trifluoromethoxy)phenyl borate anions. The results confirmed that the PIL has stronger adsorption for asphaltene molecules facilitated the distortion of the asphaltene protective film that stabilized the water-in-oil emulsion and thus promoting the water droplets coalescence to realize the separation of water from oil.

Amphiphilic materials based on natural products and biomaterials attracted great attention to replace the petroleum based oil field chemicals as environmentally and ecofriendly materials. The present study modified and characterized the chemical structure of cardanol produced from cashew nut oil with amines and glycols to produce new ionic surfactants. The surface and interfacial activities of the prepared nonionic cardanol surfactants were investigated to study their adsorption at water and oil surfaces. The ability of the cardanol surfactants to act as asphaltene dispersant and water in crude oil emulsion breaker for heavy crude oil were evaluated and showed good results as single surfactant to acts as dispersant and demulsifier for heavy crude.

Herein, organic template-free MFI-type ZSM-5 zeolites were successfully synthesized by the hydrothermal method using waste materials such as rice husk ash (RHA), rice hull ash (RHuA), and rice straw ash (RSA). The waste materials were locally obtained, precleaned, and properly heat-treated to produce a high-purity crystalline SiO2 that was used in the synthesis of ZSM-5 zeolites under autogenous pressure in a short reaction time (5 days). The mineralogical phases, morphology, textural and thermal properties of the synthesized products were investigated by X-ray diffraction (XRD), Fourier transform infrared (FT-IR), Raman spectroscopy, high-resolution scanning electron microscopy (HR-SEM), N2 adsorption/desorption isotherms (BET), temperature-programmed desorption (NH3-TPD), and thermogravimetric analysis (TGA/DTA). The as-synthesized ZSM-5 zeolites showed good crystallinity, and no amorphous material existed in the framework of the ZSM-5 zeolites after calcination and ammonium exchange processes. The characterization results prove that the high crystallinity of RHA as compared to that of the other materials (RHuA and RSA) is due to the high silica content in RHA. The transformation occurs from high-crystallinity RHA into ZSM-5 zeolite and also increases the crystallinity of zeolites. In addition, we have investigated hierarchical ZSM-5 zeolites at various concentrations for their potential cytotoxicity effect against the human lung epithelial cancer A549 cells.

Cobalt ferrite nanoparticles are synthesized using biological agents as fuel by both conventional and microwave heating methods. We focused on the green synthesis of cobalt ferrite, which is eco friendly, inexpensive, and easy to produce by large-scale synthesis. Synthesis methods were carried out under the same conditions. The role of the plant extract and advantages of microwave techniques are discussed. Plant extract-mediated nanoparticles were characterized by various techniques to analyze the size, shape, crystallinity, optical, magnetic, and antimicrobial properties. The X-ray diffraction pattern revealed single-phase crystalline structures with an average size of 45–55 nm. The functional groups present in the samples were confirmed by Fourier transform infrared spectroscopy. From SEM and DLS studies, it is confirmed that the spherical nanoparticles range in the size of 300–500 nm for CHM and 5–50 nm for MHM. Energy-dispersive X-ray spectroscopy analysis confirmed the presence of cobalt, iron, and oxygen. The energy band gap of the samples was measured by UV–Visible diffuse reflection spectroscopy. In photoluminescence analysis, the band emission was observed in the visible region. Samples prepared by microwave heating showed better magnetic behavior than those prepared by conventional heating based on vibrating sample magnetometer analysis. The plant extract makes the synthesis of cobalt ferrite nanoparticles a potentially low-cost and ecofriendly remediation method. The synthesized nanoparticles also exhibited excellent antimicrobial activity against bacteria and fungus strains.

Amphiphilic poly(ionic liquids), PILs, derived from natural products attracted great attention as a green chemical in the field of the surface chemistry and petroleum industry. In the present work, new surface active PILs were synthesized from cardanol cashew nut oil as a hydrophobic alkyl phenol. The phenol group was etherified with diethanolamine, ethanolamine, and tetraethylene glycol using linking agent based on β,β-dicholorodiethyl ether to insert nonionic hydrophilic groups into cardanol. The amine group was quaternized with 2-acrylamido-2-methyl-1-propanesulfonic acid to produce polymerizable ionic liquids that polymerized to obtain new PILs. The chemical structure of the prepared new PILs was elucidated from 1HNMR and elemental analysis. The surface activity of the prepared PILs was determined from the surface and interfacial tension measurements of their aqueous solution. The ability of the prepared PILs to disperse the asphaltene fractions of the heavy Arabian crude oil was studied. It was used ...

Green synthesis of silver nanoparticles (Ag NPs) using an extract of dried Zingiber officinale (ginger) root as a reducing and capping agent in the presence of microwave irradiation was herein reported for the first time. The formation of symmetrical spheres is confirmed from the UV-Visible spectrum of Ag NPs. Fourier transform infra-red spectroscopy confirms the formation of the Ag NPs. X-ray diffraction analysis was utilized to calculate the crystallite size of Ag NPs and the value was found to be 10nm. High-resolution transmission electron microscopy and high-resolution scanning electron microscopy were used to investigate the morphology and size of the synthesized samples. The sphere like morphology is confirmed from the images. The purity and crystallinity of Ag NPs is confirmed by energy-dispersive X-Ray analysis and selected area electron diffraction respectively. The electrochemical behavior of the synthesized Ag NPs was assessed by cyclic voltammetry (CV) and shows the redox peaks in the potential range of -1.1 to +1.1V. Agar diffusion method is used to examine the antibacterial activity of Ag NPs. For this purpose, two gram positive and two gram negative bacteria were studied. This single step approach was found to be simple, short time, cost-effective, reproducible, and eco-friendly.

We investigated the binding of the cephalosporin-class drug cefoperazone (CFP) with bovine serum albumin (BSA) using spectroscopic techniques and in silico methods. The aim of this study was to (i) emphasize the importance of correcting for the inner filter effect in this type of study and (ii) understand the binding mechanism of CFP with BSA by addressing protein conformation and plausible binding sites. Formation of the complex was confirmed by UV–visible spectroscopy. Quenching of BSA fluorescence in the presence of CFP was also observed. Because of the high absorption of CFP in the fluorescence emission range of BSA, the fluorescence emission spectra were corrected for the inner filter effect. Fluorescence emission was studied at excitation wavelengths of 280 and 295 nm. The uncorrected data showed a significant contribution of tyrosine at the excitation wavelength of 280 nm; however, after correction, this contribution became negligible. The static-type mechanism was found to be involved in quenching, with almost 1:1 binding between BSA and CFP. Hydrogen bonding and hydrophobic forces were found to dominate the protein–ligand interactions with a slight decrease in the α-helical contents. Synchronous fluorescence spectral data (at Δλ = 15 and 60 nm) were also corrected for the inner filter effect, with the results being similar to those of excitation at 280 and 295 nm. Molecular docking and molecular dynamics (MD) simulation results suggest that, apart from the two known drug binding sites (drug site I and II), one putative binding site (binding site III) located between BSA domains 1 and 3 was also possible for CFP. MD simulations of the previously reported drug binding sites (drug site I and II) and putative binding site III revealed that binding site III showed excellent binding profiles and could be a target for future research related to BSA-drug binding.

In this paper, a novel in-situ preparation method of multipurpose additives based on Cu2O·2Fe3O4 nanocomposite is presented. Cu2O·2Fe3O4 nanocomposites were synthesized in large quantities by a simple and facile one-step co-precipitation method in the presence of poly(ionic liquid). The prepared Cu2O·2Fe3O4 nanomaterials were applied as multipurpose epoxy coating additive to improve its coating performances as marine coatings of steel. The nanocomposites were characterized by FTIR, XRD, SEM, TEM, and DLS techniques. The incorporation of poly (ionic liquid) into Cu2O·2Fe3O4 nanocomposites reduced the particle size, increased the porosity and zeta potential, leading to improve of the adsorption sites and affinity toward interaction with epoxy coatings. The Cu2O·2Fe3O4 nanocomposites improved the adhesion strength, mechanical stability and self—healing characteristic and the flame retardancy with decreasing the total smoke production of epoxy coatings with steel.