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Bisphosphonate (BP) medications can be applied to prohibit the damage of bone density and the remedy of bone illnesses such as osteoporosis. As the metal chelating of phosphonate groups are nearby large with six O atoms possessing the high negative charge, these compounds are active toward producing the chelated complexes through drug design method. BP agents have attracted much attention for the clinical treatment of some skeletal diseases depicted by enhancing of osteoclast-mediated bone resorption.

In this work, it has been accomplished the CAM-B3LYP/6–311+G(d, p)/LANL2DZ to estimate the susceptibility of SWCNT for adsorbing alendronate, ibandronate, neridronate and pamidronate chelated to two metal cations of 2Mg²⁺, 2Ca²⁺, 2Sr²⁺ through nuclear magnetic resonance and thermodynamic parameters. Therefore, the data has explained that the feasibility of using SWCNT and BP agents becomes the norm in metal chelating of drug delivery system which has been selected through alendronate → 2X, ibandronate → 2X, neridronate → 2X and pamidronate → 2X (X = Mg²⁺/Ca²⁺/Sr²⁺) complexes.

The thermodynamic results have exhibited that the substitution of 2Ca²⁺ cation by 2Sr²⁺ cation in the structure of bioactive glasses can be efficient for treating vertebral complex fractures. However, it has been observed the most fluctuation in the Gibbs free energy for BPs → 2Sr²⁺ at 300 K. Furthermore, Monte Carlo simulation has resulted by increasing the dielectric constant in the aqueous medium can enhance the stability and efficiency of BP drugs for preventing the loss of bone density and treating the osteoporosis.

According to this research, by incorporation of chelated 2Mg²⁺, 2Ca²⁺ and 2Sr²⁺ cations to BP drugs adsorbed onto (5, 5) armchair SWCNT, the network compaction would increase owing to the larger atomic radius of Sr²⁺ cation rather than Ca²⁺ and Mg²⁺, respectively.

This study aims to investigate the potential of the decorated boron nitride nanocage (BNNc) with transition metals for capturing carbon monoxide (CO) as a toxic gas in the air.

BNNc was modeled in the presence of doping atoms of titanium (Ti), vanadium (V), chromium (Cr), cobalt (Co), copper (Cu) and zinc (Zn) which can increase the gas sensing ability of BNNc. In this research, the calculations have been accomplished by CAM–B3LYP–D3/EPR–3, LANL2DZ level of theory. The trapping of CO molecules by (Ti, V, Cr, Co, Cu, Zn)–BNNc has been successfully incorporated because of binding formation consisting of C → Ti, C → V, C → Cr, C → Co, C → Cu, C → Zn.

Nuclear quadrupole resonance data has indicated that Cu-doped or Co-doped on pristine BNNc has high fluctuations between Bader charge versus electric potential, which can be appropriate options with the highest tendency for electron accepting in the gas adsorption process. Furthermore, nuclear magnetic resonance spectroscopy has explored that the yield of electron accepting for doping atoms on the (Ti, V, Cr, Co, Cu, Zn)–BNNc in CO molecules adsorption can be ordered as follows: Cu > Co >> Cr > Zn ˜ V> Ti that exhibits the strength of the covalent bond between Ti, V, Cr, Co, Cu, Zn and CO. In fact, the adsorption of CO gas molecules can introduce spin polarization on the (Ti, V, Cr, Co, Cu, Zn)–BNNc which specifies that these surfaces may be used as magnetic-scavenging surface as a gas detector. Gibbs free energy based on IR spectroscopy for adsorption of CO molecules adsorption on the (Ti, V, Cr, Co, Cu, Zn)–BNNc have exhibited that for a given number of carbon donor sites in CO, the stabilities of complexes owing to doping atoms of Ti, V, Cr, Co, Cu, Zn can be considered as: CO →Cu–BNNc >> CO → Co–BNNc > CO → Cr–BNNc > CO → V–BNNc > CO → Zn–BNNc > CO → Ti–BNNc.

This study by using materials modeling approaches and decorating of nanomaterials with transition metals is supposed to introduce new efficient nanosensors in applications for selective sensing of carbon monoxide.

As to different angles of attack and nonlinear problems caused by high temperatures in coexisting hypersonic aircraft, people mainly rely on fluid software for research but lack analysis of flow mechanisms. Owing to computational difficulties, few people use numerical algorithms to combine them for discussion. Hence, this study aims to make a deep inquiry into the laminar flow and heat transfer of compressible Newtonian fluid in hypersonic aircraft with small attack angles.

In this paper, on the basis of mass, momentum and energy conservation laws, the governing equations of the hypersonic boundary layer are established. Viscosity, specific heat capacity and thermal conductivity are considered nonlinear functions concerning temperature. In virtue of the MacCormack finite difference method, the stationary numerical solutions are solved directly, and the validity of the algorithm is verified.

The results demonstrate that at Mach number 5, compared to the 0° attack angle, the maximum temperature near-wall at the 3° attack angle increases by about 25%. An enjoyable phenomenon is discovered, where the position corresponding to the maximum wall shear force shifts back as the attack angle and Mach number increase. The relationship between the near-wall maximum temperature versus attack angle and Mach number is fitted through numerical calculation results.

Empirical formulas can be used to estimate heat transfer characteristics at small attack angles, which will guide the design of aircraft thermal protection systems.

The restoration and strengthening of QT600 is an industry bottleneck challenge. The Co-12 cladding layer has great wear and corrosion resistance. The purpose of this paper is to quantitatively reveal the transient evolution law of the corrosion process of Co-12 cladding layer on QT600 surface.

In this paper, a three-dimensional numerical model of the corrosion process of Co-12 cladding layer by QT600 laser cladding is established. The interaction between pitting pits and corrosion medium is considered to reveal the transient evolution of ion concentration, electrode potential, pH and corrosion rate at different locations.

The calculation shows that the ion concentration in pitting pit changes Cl⁻>Co²⁺>Na⁺, pH value decreases from top to bottom and corrosion rate at bottom is greater than that at top. The electrochemical corrosion test of Co-12 cladding layer was carried out. It is shown that the current density of QT600 increases by an order of magnitude compared to the Co-12 cladding layer, and the corrosion rate is 4.862 times higher than that of the cladding layer.

The results show that Co-12 cladding layer has great corrosion resistance, which provides an effective way for QT600 protection.

Titanium(IV) oxide nanoparticles (TiO₂ NP) were deposited to cotton denim fabrics using a self-crosslinking acrylate – a polymer dispersion to extend the lifetime of the products. This study aims to determine the optimum conditions to increase abrasion resistance, to provide self-cleaning properties of denim fabrics and to examine the effects of these applications on other physical properties.

The denim samples were first treated with nonionic surfactant to increase their wettability. Three different amounts of the polymer dispersion and two different pH levels were selected for the experimental design. The finishing process was applied to the fabrics with pad-dry-cure method.

The presence of the coatings and the adhesion of TiO₂ NPs to the surfaces were confirmed by scanning electron microscope and Fourier transform infrared spectroscopy analysis. It was ascertained that the most appropriate self-crosslinking acrylate amount and ambient pH level is 10 mL and “2”, respectively, for providing increased abrasion resistance (2,78%) and enhanced self-cleaning properties (363,4%) in the denim samples. The coating reduced the air permeability and softness of the denim samples. Differential scanning calorimetry and thermogravimetry analysis results showed that the treatments increased the crystallization temperatures and melting enthalpy values of the denim samples. Based on the thermal test results, it is clear that mass loss of the denim samples at 370°C decreased as the amount of self-crosslinking acrylate increased (at pH 3).

This study helped us to find out optimum amount of self-crosslinking acrylate and proper pH level for enhanced self-cleaning and abrasion strength on denim fabrics. With this finishing process, an environmentally friendly and long-life denim fabric was designed.

This study aims to investigate the influence of wall curvature in a semicircular thermal annular system on magneto-nanofluidic flow, heat transfer and entropy generation. The analysis is conducted under constant cooling surface and fluid volume constraints.

The mathematical equations describing the thermo-fluid flow in the semicircular system are solved using the finite element technique. Four different heating wall configurations are considered, varying the undulation numbers of the heated wall. Parametric variations of bottom wall undulation (f), buoyancy force characterized by the Rayleigh number (Ra), magnetic field strength represented by the Hartmann number (Ha) and inclination of the magnetic field (γ) on the overall thermal performance are studied extensively.

This study reveals that the fluid circulation strength is maximum in the case of a flat bottom wall. The analysis shows that the bottom wall contour and other control parameters significantly influence fluid flow, entropy production and heat transfer. The modified heated wall with a single undulation exhibits the highest entropy production and thermal convection, leading to a heat transfer enhancement of up to 21.85% compared to a flat bottom. The magnetic field intensity and orientation have a significant effect on heat transfer and irreversibility production.

Further research can explore a wider range of parameter values, alternative heating wall profiles and boundary conditions to expand the understanding of magneto-nanofluidic flow in semicircular thermal systems.

This study introduces a constraint-based analysis of magneto-nanofluidic thermal behavior in a complex semicircular thermal system, providing insights into the impact of wall curvature on heat transfer performance. The findings contribute to the design and optimization of thermal systems in various applications.

To enhance the performance of hydrostatic bearings, graphene serves as a lubricant additive. Using the high thermal conductivity of graphene, the purpose of this study is to focus on the impact of graphene nano-lubricating oil hydrostatic bearing temperature rise at various speeds and eccentricities.

The thermal conductivity of graphene nano-lubricating oil was calculated by molecular dynamics method and based on the viscosity–temperature effect, the coupled heat transfer finite element model of hydrostatic bearing was established; temperature rise of pure lubricating oil and graphene nano-lubricating oil hydrostatic bearing were analysed at different speed and eccentricity based on computational fluid dynamics method.

With the increase of speed and eccentricity, the temperature rise of 0.2% graphene nano-lubricating oil bearings is lower than that of pure lubricating oil bearings; in addition with the increase of graphene mass fraction, the temperature rise of graphene nano-lubricating oil bearings is always higher than that of pure lubricating oil bearings, and the higher the speed, the more obvious the phenomenon.

The effects of graphene as a lubricant additive on the thermal conductivity of nano-lubricating oil and the variation of the temperature rise of graphene nano-lubricating oil bearings compared to pure lubricating oil bearings were analysed by combining micro and macro methods.

The peer review history for this article is available at: https://publons.com/publon/10.1108/ILT-12-2023-0388

The purpose of this paper is to study haemodynamic flow characteristics and entropy analysis in a bifurcated artery system subjected to stenosis, magnetohydrodynamic (MHD) flow and aneurysm conditions. The findings of this study offer significant insights into the intricate interplay encompassing electro-osmosis, MHD flow, microorganisms, Joule heating and the ternary hybrid nanofluid.

The governing equations are first non-dimensionalised, and subsequently, a coordinate transformation is used to regularise the irregular boundaries. The discretisation of the governing equations is accomplished by using the Crank–Nicolson scheme. Furthermore, the tri-diagonal matrix algorithm is applied to solve the resulting matrix arising from the discretisation.

The investigation reveals that the velocity profile experiences enhancement with an increase in the Debye–Hückel parameter, whereas the magnetic field parameter exhibits the opposite effect, reducing the velocity profile. A comparative study demonstrates the velocity distribution in Au-CuO hybrid nanofluid and Au-CuO-GO ternary hybrid nanofluid. The results indicate a notable enhancement in velocity for the ternary hybrid nanofluid compared to the hybrid nanofluids. Moreover, an increase in the Brinkmann number results in an augmentation in entropy generation.

This study investigates the flow characteristics and entropy analysis in a bifurcated artery system subjected to stenosis, MHD flow and aneurysm conditions. The governing equations are non-dimensionalised, and a coordinate transformation is applied to regularise the irregular boundaries. The Crank–Nicolson scheme is used to model blood flow in the presence of a ternary hybrid nanofluid (Au-CuO-GO/blood) within the arterial domain. The findings shed light on the complex interactions involving stenosis, MHD flow, aneurysms, Joule heating and the ternary hybrid nanofluid. The results indicate a decrease in the wall shear stress (WSS) profile with increasing stenosis size. The MHD effects are observed to influence the velocity distribution, as the velocity profile exhibits a declining nature with an increase in the Hartmann number. In addition, entropy generation increases with an enhancement in the Brinkmann number. This research contributes to understanding fluid dynamics and heat transfer mechanisms in bifurcated arteries, providing valuable insights for diagnosing and treating cardiovascular diseases.

The purpose of this study is to investigate the deposition of SS–Al transitional wall using the wire arc directed energy deposition (WA-DED) process with a Cu interlayer. This study also aims to analyse the metallographic properties of the SS–Cu and Al–Cu interfaces and their mechanical properties.

The study used transitional deposition of SS–Al material over each other by incorporating Cu as interlayer between the two. The scanning electron microscope analysis, energy dispersive X-ray analysis, X-ray diffractometer analysis, tensile testing and micro-hardness measurement were performed to investigate the interface characteristics and mechanical properties of the SS–Al transitional wall.

The study discovered that the WA-DED process with a Cu interlayer worked well for the deposition of SS–Al transitional walls. The formation of solid solutions of Fe–Cu and Fe–Si was observed at the SS–Cu interface rather than intermetallic compounds (IMCs), according to the metallographic analysis. On the other hand, three different IMCs were formed at the Al–Cu interface, namely, Al–Cu, Al₂Cu and Al₄Cu₉. The study also observed the formation of a lamellar structure of Al and Al₂Cu at the hypereutectic phase. The mechanical testing revealed that the Al–Cu interface failed without significant deformation, i.e. < 4.73%, indicating the brittleness of the interface.

The study identified the formation of HCP–Fe at the SS–Cu interface, which has not been previously reported in additive manufacturing literature. Furthermore, the study observed the formation of a lamellar structure of Al and Al2Cu phase at the hypereutectic phase, which has not been previously reported in SS–Al transitional wall deposition.

This study aims to embed anatase, rutile and brookite TiO₂ nanoparticles (NPs) with different crystal phases into cotton fabrics by epoxy silane and to examine the effect of these applications on the photocatalytic and mechanical properties of the fabric.

Different aqueous dispersions which contain anatase, rutile and brookite were prepared at three different concentrations (5%, 10% and 15%). These NPs were embedded in cotton fabrics by using GPTS [(3-glycidyloxypropyl) trimethoxysilane]. Characterization tests were performed by scanning electron microscopy (SEM), Raman and Fourier-transform infrared spectroscopy (FT/IR). Samples were stained with methylene blue (MB) and then exposed to solar light for different periods. Color changes of the samples were examined with a spectrophotometer. Air permeability, abrasion and tear strength tests were applied to all samples.

According to SEM images, the NPs were successfully attached to the cotton fabrics, and epoxy silane coating surrounded the fiber surfaces. The presence of the coating was also confirmed by Raman spectroscopy and FT/IR. The treatments reduced the stainability of the samples. The most effective applications for ensuring photocatalytic activity in cotton fabrics were suspensions as 10% brookite, 10% anatase and 5% anatase, in descending order. The applied coating slightly reduced the samples’ air permeability, and wear and tear strength.

The importance of this study is to determine the optimal crystal phase and its concentration by using epoxy silane to ensure self-cleaning properties on cotton fabrics. The sample treated with 10% brookite is the most approached its original white color by 99.65% as a result of degradation of MB (after 120 min). On the other hand, using the pure rutile with epoxy silane was not suitable for removing MB from the fabric.