Metallic materials are among the most crucial engineering materials widely utilized as biomaterials owing to their significant thermal conductivity, mechanical characteristics, and biocompatibility. Although these metallic biomedical implants, such as stainless steel, gold, silver, dental amalgams, Co-Cr, and Ti alloys, are generally used for bone tissue regeneration and repairing bodily tissue, the need for innovative technologies is required owing to the sensitivity of medical applications and to avoid any potential harmful reactions, thereby improving the implant to bone integration and prohibiting infection lea by corrosion and excessive stress. Taking this into consideration, several research and developments in biomaterial surface modification are geared toward resolving these issues in bone-related medical therapies/implants offering a substantial influence on cell adherence, increasing the longevity of the implant and rejuvenation along with the expansion in cell and molecular biology expertise. The primary objective of this review is to reaffirm the significance of surface modification of biomedical implants by enlightening numerous significant physical surface modifications, including ultrasonic nanocrystal surface modification, thermal spraying, ion implantation, glow discharge plasma, electrophoretic deposition, and physical vapor deposition. Furthermore, we also focused on the characteristics of some commonly used biomedical alloys, such as stainless steel, Co-Cr, and Ti alloys.

Chemical hardness is considered to be a useful theoretical descriptor in many experimental and theoretical studies and this concept has several important applications in chemistry. In this study, an equation for atomic hardness is proposed. Following the equation for atomic hardness which is based on charges, ionisation energies and electron affinities of atoms, a new equation is obtained for the calculation of the chemical hardness of groups and molecules using the atomic hardness equation and the principle of chemical hardness equalisation. Molecular chemical hardness may be calculated using α and β parameters of atoms in a molecule or group through the use of the obtained molecular hardness equation. Furthermore, the advantage of this equation over other equations in the literature is that using this equation the chemical hardness of the charged groups and molecules can also be calculated. Besides, the relationship between molecular hardness and charge of molecule is examined using the results obtained from the new molecular hardness equation, and the partial charges of atoms in molecules are calculated with the help of derived equations.

Nanotechnology is a discipline of science and engineering that emphasizes developing, modifying, characterizing, and using nanoscale components in a variety of applications. Owing to their multiple advantages, including adhesion strength, surface hardness, long-term and extra-high-temperature corrosion resistance, improvement of interfacial behavior, etc., nanocoatings are efficiently utilized to minimize the influence of a corrosive environment. Additionally, nanocoatings are often applied in thinner and finer concentrations, allowing for greater versatility in instrumentation and reduced operating and maintenance costs. The exemplary physical coverage of the coated substrate is facilitated by the fine dimensions of nanomaterials and the significant density of their grounded boundaries. For instance, fabricated self-healing eco-sustainable corrosion inhibitors including PAC/CuONPs, PAC/Fe₃O₄NPs, and PAC/NiONPs, with uniform distributions and particulate sizes of 23, 10, and 43 nm, correspondingly, were effective in producing PAC/MONPs nanocomposites which exhibited IE% of 93.2, 88.1, 96.1, and 98.6% for carbon steel corrosion in 1M HCl at the optimum concentration of 250 ppm. Therefore, in this review, further steps are taken into the exploration of the significant corrosion-mitigation potential and applications of nanomaterial-based corrosion inhibitors and nano-modified coatings, including self-healing nanocoatings, natural source-based nanocoatings, metal/metallic ion-based nanocoatings, and carbon allotrope-based nanocoatings, to generate defensive film and protection against corrosion for several metals and alloys. These have been illuminated through the in-depth discussion on characterization techniques such as scanning electron microscopy (SEM), electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), atomic force microscopy (AFM), energy dispersive spectroscopy (EDS), etc. After providing a general summary of the various types of nanomaterials and their protective mechanisms in wide corrosive media, we subsequently present a viewpoint on challenges and future directions.

The adsorption and corrosion inhibition properties of some benzotriazole and phospono derivatives namely, 1-(2-pyrrolecarbonyl)-benzotriazole (PBTA), 1-(2-thienylcarbonyl)-benzotriazole (TBTA), 2-phosphonoacetic acid (PAA) and 4-phosphonobutyric acid (PBA) on the corrosion of aluminum were investigated by quantum chemical calculations and by molecular dynamics simulations. Global reactivity descriptors such as E_HOMO, E_LUMO, HOMO–LUMO energy gap (ΔE), chemical hardness (η), softness (σ), electronegativity (χ), proton affinity (PA), electrophilicity (ω) and nucleophilicity (ε) have been calculated and discussed. The analysis of the adsorption behavior of these mentioned inhibitors on the Al (111) surface was investigated using molecular dynamics simulations. The binding energies on the Al (111) surface of the studied compounds followed the order: PBTA > TBTA > PBA > PAA. The results obtained in this study are compatible with experimental data and it is proposed that the above mentioned molecules can be successfully used to prevent the corrosion of aluminum metal.

New cobalt(II), copper(II), and zinc(II) Schiff metal complexes were synthesized by the condensation reaction of 4-nitrobenzene-1,2-diamine with 3-4-(diethylamino)-2-hydroxybenzaldehyde. Fourier transform infrared, nuclear magnetic resonance, ultraviolet-visible, electron paramagnetic resonance, and high-resolution electrospray ionization mass spectrometry and powder X-ray diffraction were used to characterize the synthesized H₂L and its metal complexes. Conductance measurements, magnetic moment estimation, and metal estimation have all been determined and discussed. The electrochemical properties of the synthesized compounds have been determined and discussed using cyclic voltammetry. The molecular structures of H₂L and its metal complexes have been optimized using the B3LYP functional and the 6-31G (d,p) basis set, and their parameters have been discussed. The quantum chemical properties of these synthesized compounds have been predicted through charge distribution and molecular orbital analysis. The biological properties of the synthesized compounds' antioxidant, antifungal, and antibacterial activity have been studied and discussed. Furthermore, H₂L and its complexes have been docked with HER2-associated target proteins in breast cancer.