Heterocyclic compounds, including pyrimidine derivatives, exhibit a broad variety of biological and pharmacological activities. In this paper, a previously synthesized novel pyrimidine molecule is proposed, and its pharmaceutical properties are investigated. Computational techniques such as the density functional theory, ADMET evaluation, and molecular docking were applied to elucidate the chemical nature, drug likeness and antibacterial function of molecule. The viewpoint of quantum chemical computations revealed that the molecule was relatively stable and has a high electrophilic nature. The contour maps of HOMO-LUMO and molecular electrostatic potential were analyzed to illustrate the charge density distributions that could be associated with the biological activity. Natural bond orbital (NBO) analysis revealed details about the interaction between donor and acceptor within the bond. Drug likeness and ADMET analysis showed that the molecule possesses the agents of safety and the effective combination therapy as pharmaceutical drug. The antimicrobial activity was investigated using molecular docking. The investigated molecule demonstrated a high affinity for binding within the active sites of antibacterial and antimalarial proteins. The high affinity of the antibacterial protein was proved by its low binding energy (−7.97 kcal/mol) and a low inhibition constant value (1.43 µM). The formation of four conventional hydrogen bonds in ligand–protein interactions confirmed the high stability of the resulting complexes. When compared to known standard drugs, the studied molecule displayed a remarkable antimalarial activity, as indicated by higher binding affinity (B.E. −5.86 kcal/mol & Ki = 50.23 M). The pre-selected molecule could be presented as a promising drug candidate for the development of novel antimicrobial agents.

The purpose of the presented study is to examine the impact of zinc oxide nanoparticles (ZnO NPs) on the spectrum features of poly [2-methoxy-5-(3′,7′-dimethyloctyloxy)-1, 4-phenylenevinylene] (MDMO-PPV). The characteristics of the MDMO-PPV and doped ZnO NPS samples were assessed using several techniques. A set of solutions of MDMO-PPV in toluene that were doped with different ratio percentages of ZnO NPs was prepared to obtain thin films. Pristine and composite solutions were spin-coated on glass substrates. It was observed that MDMO-PPV had two distinct absorbance bands at $310$ and $500 \mathrm{nm}$ in its absorption spectrum. The UV-Vis spectrum was dramatically changed when $5\%$ of ZnO NPs were added. The result showed a significant reduction in absorption of the band $500 \mathrm{nm}$, while $310 \mathrm{nm}$ absorption increased rapidly and became more pronounced. Upon adding (10%) ZnONPs to the sample, no noticeable change was observed in the 500 nm band. However, the 310 nm band shifted towards the blue region. There is a dominant peak in the PL spectrum of MDMO-PPV in its pristine form around $575 \mathrm{nm}$ and a smaller hump around $600 \mathrm{nm}$ of the spectrum. The spectral profile at 600 nm and the intensity of both bands are improved by raising the ZnO NP concentration. These bands feature two vibronic transitions identified as (0-0) and (0-1). When the dopant concentration increased to the maximum dopant percentage ($10\%$), the energy band gap values increased by $0.21 \mathrm{eV}$ compared to the pristine MDMO-PPV. In addition, the refractive index (n) decreased to its lowest value of $2.30$ with the presence of concentrations of ZnO NPs.

This paper examines the rotational motion of a compound mechanical system comprising a rigid carrier body equipped with internal gyroscopic devices and a point mass that moves along a prescribed trajectory relative to the body. The system undergoes free motion in a uniform gravitational field. We derive the complete equations of motion accounting for the constant gyrostatic torque (GT) generated by internal rotors. Using asymptotic methods, we develop approximate dynamical equations valid under two distinct physical scenarios: (i) when the moving mass is small relative to the carrier mass and executes rapid oscillations and (ii) when the mass oscillates with small amplitude near a fixed location within the body, regardless of mass ratio. The accuracy and validity range of these approximations are rigorously established. For the first scenario, we have approached the idea that gyrostatic coupling fundamentally alters the system’s integrability properties while introducing beneficial stabilization mechanisms. We characterize families of permanent rotational states and analyze their stability using linear perturbation theory. The second scenario reveals that the approximate dynamics correspond to gyrostat motion rather than the classical Euler–Poinsot case. Comprehensive numerical simulations validate theoretical predictions and demonstrate applications to spacecraft attitude control problems. The results provide practical design guidelines for gyrostabilized systems with internal moving components.

We determined the average glandular dose (AGD) from the craniocaudally (CC) and mediolateral oblique (MLO) views of 496 breasts (247 women) at eight clinics in Sudan. The incident air kerma from the X-ray tube output values and the typical patient-specific breast exposure factors were measured. The AGD values were inferred from the measured incident air kerma and breast-specific dose-conversion coefficients. The AGD per CC and MLO projection and per woman ranged from 0.56 to 2.89 mGy (average: 1.36), 0.48 to 2.08 mGy (average: 1.19), and 2.08 to 9.94 mGy (average: 5.10). The proposed national diagnostic reference levels (mGy) for digital mammography are 1.8 and 1.6 mGy for CC and MLO projection, respectively. Establishing the proposed diagnostic reference levels is an essential step in ensuring patient protection from radiation and will help promote dose optimization for X-ray mammography at the national level and beyond. These results provide important baseline data that can be used to formulate national diagnostic reference levels.

This study investigates a 26th Dynasty Ptah–Sokar–Osiris wooden statuette excavated from the Tari cemetery, Giza Pyramids area, to decode ancient Egyptian manufacturing techniques and establish evidence-based conservation strategies of such wooden objects. Using minimal sampling (1.0–2.0 mm²), integrated XRF, synchrotron-based X-ray diffraction, FTIR, and confocal microscopy distinguished original technological choices from burial-induced alterations. The 85 cm Vachellia nilotica sculpture exhibits moderate structural preservation (cellulose crystallinity index 62.9%) with partial chemical deterioration (carbonyl index 2.22). Complete pigment characterization identified carbon black, Egyptian Blue (cuprorivaite, 55 ± 5 wt %), atacamite-dominated green (65 ± 5 wt %) with residual malachite (10 ± 2 wt %), orpiment (60 ± 5 wt %), red ochre (hematite, 60% ± 5 wt %), white pigments (93 ± 5 wt % calcite), and metallic gold (40 ± 5 wt %). Confocal microscopy revealed sophisticated multi-pigment mixing strategies, with black carbon systematically blended with chromophores for nuanced color effects. Atacamite predominance over malachite provides evidence for chloride-mediated diagenetic transformation over 2600 years of burial. Consistent calcite detection (~ 20–45%) across colored layers confirms systematic ground layer application, establishing technological baseline data for 26th Dynasty Lower Egyptian workshops. Near-complete organic binder loss, severe lignin oxidation, and ongoing salt-mediated mineral transformations indicate urgent conservation needs requiring specialized consolidants, paint layer stabilization, and controlled environmental storage. This investigation demonstrates synchrotron methods’ advantages while establishing a minimally invasive framework for studying polychrome wooden artifacts.

How plasmonic nanostructures modulate the behavior of exciplexes and excimers within materials remains unclear. Thus, advanced knowledge is essential to bridge this gap for the development of optoelectronic devices that leverage the interplay between plasmonic and conjugated polymer hybrid materials. Herein, this work aims to explore the role of gold nanoparticles (AuNPs) in modulating exciplex and excimer states within the conjugated polymer poly(2,5-di(3,7-dimethyloctyloxy) cyanoterephthalylidene) (PDDCP), known for its photoluminescent and semi-conductive properties, aiming to create innovative composite materials with tailored optical features. The spectral analysis was conducted to investigate the effects of AuNPs on the PDDCP, varying AuNP volume percentages to measure changes in the absorption profile, molar extinction coefficient (ε), absorption cross-section (σ_a), and optical bandgap ($E_g$). Fluorescence spectra of the mixture at different volume ratios were also examined to assess exciplex formation, while amplified spontaneous emission (ASE) profiles were analyzed to study the behavior and photochemical stability of the polymer–NP hybrid material. Increasing AuNP volume induced both blue and red shifts in the absorption profile of the PDDCP. Higher AuNPs concentrations correlated with decreased ε and σ_a, inversely impacting $E_g$. The emission spectra obtained at varied AuNP volume ratios indicated significantly enhanced exciplex and excimer formations. The ASE profiles remained consistent but showed reduced intensity with increasing AuNPs concentrations, indicating their influence on hybrid material behavior and stability. The findings suggest that AuNPs affect PDDCP’s optical characteristics, altering the absorption profile, bandgap, and fluorescence spectra. Furthermore, the observed reduction in ASE intensity highlights their influence on the behavior and photochemical stability of the hybrid material. These results contribute to a better understanding of the versatile applications of plasmonic-conjugated hybrid polymers.