This work presents a systematic composition-dependent strategy to enhance the pseudocapacitance performance of Ni_xMn_1-x@NiCo layered double hydroxide (LDH) nanocomposites synthesized via a two-step electrodeposition method. The tailored NiCo LDH nanoflower morphology is strongly influenced by the embedded Ni_xMn_1-x nanocomposites, enabling interfacial synergy and tunable electrochemical behavior. Spectroscopic analyses confirm the evolution of bonding states between the LDH matrix and Ni_xMn_1-x phases. Among the tested compositions, Ni₀.₅Mn₀.₅@NiCo LDH delivers the highest specific capacitance of 3825 F∙g⁻¹ at 1 A∙g⁻¹, while Ni₀.₇Mn₀.₃@NiCo LDH demonstrates better cycling stability and energy retention. When assembled into a hybrid asymmetric supercapacitor, the optimized electrode achieves an energy density of 166.45 μWh∙cm⁻² at 9.45 mW∙cm⁻² and maintains 134.74 μWh∙cm⁻² at 47.87 mW∙cm⁻², with 63 % capacitance retention after 2000 cycles. This study introduces a tunable design approach for high-performance energy storage devices.

Tunable optoelectronic matter is required to generate next-generation devices that involve adjustable light and
electricity exchanges. By altering material’s properties, such as absorption, researchers can attain more effective
materials that can be suitable candidate for optoelectronic applications. Polycarbonate (PC), polyethylene oxide
(PEO), poly (methyl methacrylate) (PMMA) and Chromium oxide (Cr2O3) nanoparticles (NP) were utilized to
fabricate PC/PEO/PMMA/Cr2O3 nanocomposite (NC). The Cr2O3 NPs were synthesized via the sol gel method;
the average particle size is19.73 ± 0.49 nm, as indicated from the profex refinement of the XRD scans. Samples
from the synthesized NC membranes were exposed to γ ray doses from 20 to 120 kGy. Fourier transform infrared
(FTIR) and UV–vis spectroscopies were carried out to realize the outcomes of the impact of γ radiation on the
structural and optical properties of the NC membranes. The influence of the γ radiation on the light absorbance,
refractive index, extinction coefficient, optical conductivity, Urbach energy and optical bandgaps of the PC/PEO/
PMMA/Cr2O3 NC membranes was studied. The absorbance of the NC membranes increased as they were exposed
to γ doses up to 120 kGy. The improvement in absorbance was associated with a reduction in both direct and
indirect bandgaps. A decrease from 4.48 to 4.28 eV for direct, and from 2.72 to 2.20 for indirect transitions has
been observed. At the same time, an increase of Urbach energy from 0.16 to 0.51 eV was observed. Also, the
optical dielectric loss (ε”) was utilized for the identification of the type of microelectronic transitions for the PC/
PEO/PMMA/Cr2O3 NC membranes, which was recognized to be a direct allowed transition. Additionally, both
the refractive index and optical conductivity increased with increasing dose up to 120 kGy. Moreover, the color
intensity (ΔE) which is the color differences between the irradiated and non-irradiated samples were calculated
using the International Commission on Illumination (CIE) color differences technique. The results indicated
significant color difference as ΔE reached 37 (>5). The perceived modifications in optical properties of the PC/
PEO/PMMA/Cr2O3 NC highlight the possibility of utilizing it in optoelectronic applications

A comprehensive electronic investigation of Bambuterol Hydrochloride (BMBH) was conducted to
explore its structural properties, adsorption behavior on graphene, molecular docking interactions,
and molecular dynamics perturbations. FT-IR and XRD characteristics were performed to support
the structural identity. Geometry optimization and theoretical calculations were carried out to study
the structural and electronic properties of BMBH. The nature of hydrogen and halogen bonding
interactions was analyzed using natural bond orbital (NBO) analysis, atoms in molecules (AIM)
theory, and Reduced Density Gradient (RDG) analysis. Additionally, electron localization function
(ELF) analysis provided deeper insights into the chemical bonding characteristics of BMB. Adsorption
locator modelling was involved to allow activated carbon-carriers for sustained and controlled drug
release, which helps maintain therapeutic drug levels in the body over time, reducing the frequency
of administration. Molecular docking analysis was performed to assess the interaction of BMBH with
key biological targets, revealing its potential pharmacological relevance. The inhibitory interaction
of BMB with the butyrylcholinesterase enzyme, which is a major cause of dementia and Alzheimer’s
disease, has been investigated based on molecular modelling. In addition to that the interaction
between BMB and Human Serum Albumin (HSA) was assessed using molecular Docking and Molecular
dynamics studies to investigate its transportation and bioavailability. Additionally, molecular dynamics
simulations were employed to evaluate the structural perturbations and dynamic behaviour of the
BMBH/graphene and BMB/target complexes over time. The study offers a detailed understanding
of the electronic and interactional properties of BMB, contributing to its potential applications in
nanomaterial-based drug delivery and therapeutic interventions.
Keywords BMBH drug, Computational study, DFT calculations, Graphene adsorption, Molecular docking,
Dynamic simulation

We explored how switching the transition metal (T = Cu, Sn, Co, Ni) in T0.4Mn0.6Fe2O4 nanocomposites (NCs)
controls their structure and functionality. The structure changes from a monoclinic T2Mn3O8 phase for Cu and Co
to a cubic TMn2O4 phase for Sn and Ni. This structural difference underlies a major property divergence. Cu and
Sn NCs possess higher surface area (up to 67.86 m2/g), greater charge carrier concentration, and lower band gaps
(Eg2 ≈ 1.5–1.65 eV), leading to superior photocatalytic degradation of methylene blue (62.78 % and 60.73 %
efficiency). Conversely, Co and Ni NCs, though poorer photocatalysts, display a high q-factor (5 × 105 for Co)
and higher oscillator energies, marking them as promising candidates for energy storage applications. The
photoluminescence spectra for all NCs show violet, blue, and green emissions, with lower intensity for Co and Ni,
suggesting more defect-related recombination. The collective evidence confirms that non-magnetic Cu and Sn
ions enhance photocatalytic activity for environmental cleanup, while magnetic Co and Ni ions favor properties
needed for electronic charge storage, providing a definitive guide for tailoring these materials.