Breast cancer remains a leading cause of cancer-related mortality worldwide, necessitating the identification of novel therapeutic targets. Royal jelly (RJ), a functional food rich in bioactive compounds, has been reported to exhibit chemopreventive properties; however, its potential molecular interactions with key breast cancer–associated target receptors, including Bcl-2, EGFR, and HER-2, remain insufficiently characterized. This study aimed to explore, at a computational level, the putative interactions between selected RJ-derived compounds and their target receptors to generate mechanistic hypotheses. Molecular docking was performed using YASARA Structure after systematic protein and ligand preparation, with structural validation assessed using Ramachandran plots. The predicted pharmacokinetic properties were evaluated using ADMET analysis. In addition, molecular dynamics (MD) simulations combined with normal mode analysis (NMA) were employed to examine the stability of the selected protein–ligand complexes. Docking analyses indicated favorable binding affinities of quercetin for Bcl-2 and naringin for EGFR and HER-2. Normal mode analysis–based simulations supported the intrinsic flexibility and favorable dynamic behavior of the docked complexes. Collectively, these in silico findings provide a hypothesis-generating framework suggesting that quercetin and naringin may warrant further experimental investigation as potential modulators of breast cancer–related targets. Experimental validation through in vitro and in vivo studies is required to substantiate these computational predictions.

New mono- and bimetallic copper, zinc, and cobalt complexes derived from the ligand 4-(benzo[d]thiazol-2-yl)-N, N-dimethylaniline (L) were successfully synthesized and characterized using UV-visible, FT-IR, 1H-NMR, 13C-NMR, mass spectrometry, and molar conductance measurements. The molar conductance data confirmed that all synthesized complexes are non-electrolytes. Spectroscopic analyses indicated that the ligand coordinates with the metal ions in a monodentate fashion through its nitrogen atom. The antioxidant activity of the ligand and its metal complexes was tested using the DPPH assay, revealing that complexation significantly enhanced radical scavenging ability. The Cu(II) complex exhibited the strongest activity with an IC₅₀ value of 0.008 ± 0.005 mg/mL, followed by Co(II) (0.014 ± 0.003 mg/mL), Zn(II) (0.024 ± 0.007 mg/mL), and the free ligand (0.043 ± 0.004 mg/mL), compared to ascorbic acid (0.046 ± 0.003 mg/mL). Antibacterial screening using the well-diffusion method on agar demonstrated that the metal complexes had greater inhibitory activity than the free ligand, particularly against Staphylococcus aureus and Pseudomonas aeruginosa, with minimum inhibitory concentration (MIC) values ranging from 0.25 to 1.0 mg/mL. Overall, this study reports the successful synthesis and comprehensive characterization of benzothiazole-based Schiff base metal complexes with markedly improved antioxidant and antibacterial properties, highlighting their potential as promising candidates for further pharmacological investigations.

The existence of a femur implant in hip hemiarthroplasty depends on the novelty of the material used. Wear and fatigue analysis of the implant is very important to determine the life of the implant. This study comprehends molding and femur head analysis using finite element analysis, which is applied in hip replacement. Carbon-fiber-reinforced polyether ether ketone and titanium alloy with polyether ether ketone are among the materials employed for the analysis. Wear and fatigue behaviour of human interference under dynamic loading, such as climbing upstairs without rail support and climbing down stairs without rail support, is considered. SolidWorks 2021 was used for modeling, and ANSYS Workbench 19.2 was deployed for FEA. The wear depth was taken into consideration using the modified Archard's equation. The CFR PEEK has a mean stress of 10.1065 MPa during upstair and 12.3054 MPa during downstair, whereas the fatigue life of Ti-6Al-4V during upstair is 9 years and 6.756593 years during downstair. It has been calculated using the S-N curves. Equivalent stress, sliding distance, and contact pressure were the results of the FEA for every material and activity. The CFR PEEK type is the best material for the top of the femur in several actions, corresponding to the results, as well as the downstairs activity, which produced the highest stresses along with contact pressures. For proper operation, the CFR PEEK material femur head must be replaced or altered after its estimated ten-year lifespan.

Hepatocyte transplantation from stem cells holds a promising approach for treating liver failure, but inefficient differentiation into functional hepatocytes limits therapeutic applications. Recent research highlights the role of non-parenchymal cells, such as hepatic stellate cells (HSCs) and human umbilical vein endothelial cells (HUVECs), in supporting hepatocyte function through paracrine signaling. This study investigates the synergistic effects of HUVEC and HSC-conditioned media on the differentiation of mouse embryonic stem cells (mESCs) into hepatocyte-like cells (HLCs) by using a 3D gelatin scaffold. mESCs were cultured on a gelatin scaffold with conditioned media from HUVECs and HSCs (1:1:1), and differentiation was assessed through immunohistochemistry and gene expression analysis. Results showed that mouse embryonic stem cell-derived hepatocyte-like cells (mESC-HLCs) cultured with conditioned media exhibited increased expression of mature hepatic markers, including albumin, cytokeratin 18, and hepatocyte nuclear factor 4α, alongside markers of hepatoblasts and cholangiocytes. Functional assays demonstrated enhanced albumin secretion, creatinine production, and urea synthesis compared to cells treated with single conditioned media or standard differentiation media. These findings suggest that combining scaffold-based culture with niche-mimicking conditioned media effectively enhances hepatocyte differentiation, providing a promising approach for regenerative medicine and drug discovery applications.

Selenium nanoparticles (SeNPs) have acquired significant interest owing to their distinctive physicochemical characteristics and broad spectrum of application possibilities. In this study, SeNPs were synthesized using Nephelium lappaceum L. (NL) seed extract and assessed for both antioxidant and photocatalytic capabilities. The successful synthesis of NL-SeNPs was designated by a noticeable color shifting from yellow to red and validated by a UV–Vis absorbance peak at 263 nm. FTIR studies confirmed the existence of functional groups representative of various chemical compounds, including phenols and amines, which likely contributed to the reduction and stabilization of NL-SeNPs. The produced NL-SeNPs had a spherical morphology with an average particle size of approximately 100.94 nm and demonstrated notable colloidal stability, as indicated by a zeta potential of –30.7 mV. Their antioxidant activity showed moderate free radical scavenging efficiency in comparison to ascorbic acid, with maximum inhibition rates of 47.62% and 40.67% at a concentration of 70 µg/mL, and IC₅₀ values of approximately 95.25 µg/mL and 112.44 µg/mL in the DPPH and ABTS assays, respectively. Furthermore, the photocatalytic performance of NL-SeNPs significantly enhanced the degradation of methylene blue, achieving approximately 69.40% removal after three hours under 365 nm UV irradiation. These findings show that NL-SeNPs work both as antioxidants and photocatalysts, making them useful for medical uses and eco-friendly cleaning or treatment processes.

Triple-negative breast cancer (TNBC) is an aggressive malignancy requiring innovative therapies. This study aimed to develop a pH-sensitive hybrid niosomal beta-caryophyllene (BCP) formulation to overcome its delivery limitations and leverage a novel anticancer pathway using in silico tools. Using in silico methods, HSP90AA1 was identified as a key TNBC target, with network pharmacology, molecular docking, and dynamics confirming the stable binding of BCP. Hybrid niosomes were prepared via a thin-film hydration method with PLGA modification to enhance pH-sensitive delivery. The formulations were characterized for particle size, encapsulation efficiency, and drug release profiles, while cytotoxicity was evaluated using the CCK-8 assay in 4T1 TNBC cells. PLGA-modified niosomes achieved a particle size of 187.6 ± 7.82 nm, 91.96 ± 2.71% encapsulation efficiency, and exhibited pH-responsive release, significantly increasing BCP release at pH 5.5 compared to pH 7.4. The hybrid formulation demonstrated superior cytotoxicity (IC50: 15.65 ± 6.19 µg/mL), representing a 4.61-fold improvement compared to free BCP and a 1.96-fold enhancement over standard niosomes. Leveraging the novel BCP-HSP90AA1 pathway enhanced anticancer efficacy, showcasing a promising strategy for TNBC treatment. This study integrates computational and experimental approaches to address BCP’s delivery challenges, highlighting the potential of PLGA-modified niosomes as a targeted TNBC therapy.

Indonesia possesses abundant seaweed resources; however, their use in composites remains limited. This study investigates the impact of incorporating green seaweed (Caulerpa lentillifera) as a filler and polyethylene-grafted-maleic anhydride (PE-g-MA) as a coupling agent on the mechanical, thermal, morphological, water uptake, and soil degradation properties of high-density polyethylene (HDPE) biocomposite. C. lentillifera content in the biocomposite was varied from 10% to 40%, PE-g-MA content ranged from 0% to 15%, and C. lentillifera particle size was also varied. Results indicate that adding C. lentillifera significantly increases the biocomposite's modulus of elasticity (up to 1.63 GPa), thermal stability, and soil degradation resistance (up to 15%). The incorporation of PE-g-MA (up to 5%) effectively reduces water uptake to 0.94%, slightly improves mechanical properties, and enhances interfacial adhesion compared to the un-compatibilized biocomposite. A smaller C. lentillifera particle size further decreases water uptake and soil degradation, reaching 0.45% and 1.13%, respectively.

Niobium/graphene-based materials have strong thermodynamic and electrical stability among the present options, ensuring good safety performance for batteries and capacitors. This work demonstrates a prototype ionic battery based on electron trapping by combining computational and experimental approaches. Using EDOs: ode23t technique, a mathematical model was constructed to control the battery's charge/discharge module. We study the electrical and thermal performance as well as the synergic effect of the CVD-coated graphene/niobium electrodes. Electrochemical, XRD, SEM, TEM, and EDS measurements were used to characterize the materials. According to the data, the load cell can charge 2.1 Amperes per minute and discharge completely for a certain amount of time. The electrolyte temperature for both acid and base media is 22°C, and the 140 kV electric field does not cause overheating in the system. Both the graphene oxide and niobium pentoxide-covered electrodes have anode potentials between 1.25 and 1.5, which are comparable to the potentials of platinum and gold.

The interplay between Ca2+ ions and neuronal dysfunction has recently gained significant attention. A growing body of evidence implicates Ca2+ in the pathophysiology of neurodegenerative disorders, including Parkinson's disease. The rate of protein aggregate formation, mitophagy, and autophagy abnormalities in Parkinson's disease may be influenced by Ca2+ ions, and specific ionophores have been used to study this phenomenon. We investigated the potential of diacyl derivatives of dibenzo-18-crown-6 (DB18C6), namely 4′,4′′(5′′)-dibutyryl-DB18C6 and 4′,4′′(5′′)-divaleryl-DB18C6 and 4′,4′′-diacetyl-DB18C6 as an alternative to these specific ionophores. Our study provides evidence that both 4′,4′′(5′′)-dibutyryl-DB18C6 and 4′,4′′(5′′)-divaleryl-DB18C6 can effectively promote Ca2+ transport across fibroblast cell membranes at 10 and 100 nanomolar concentrations. Notably, the studied crown ethers do not appear to impact intracellular pH or mitochondrial membrane potential. Also, we assessed these molecules' structural stability and chemical purity, confirming their integrity and suitability for future research. These results suggest that using crown ethers as ionophores may be a promising alternative to specific ionophores in studying the impact of Ca2+ ions on various cellular processes in Parkinson's disease.

Low-temperature hydrothermal synthesis produced Mn1-xCuxFe2O4 (x = 0.02, 0.04, 0.06, and 0.08) (MCF) nanoparticles (NPs). The MCF system produced a cubic spinel, according to X-ray diffraction. The average crystallite size varied from 53.6 to 79.8 nm. In FTIR investigations, broad (v1) and narrow (v2) absorption bands may indicate cation distributions in tetrahedral and octahedral locations, respectively. The surface morphology was FESEM-analyzed. The dependence of the optical bandgap shift (Eg~2.250-2.280 eV) on substituent concentration was clarified. Magnetization versus applied magnetic field (M-H) loops showed that MCFF NPs are superparamagnetic and useful for biological applications. Magnetization against magnetic field (M-H) curves for x = 0.02, 0.04, 0.06, and 0.08 revealed small remanence magnetization (Mr) and coercivity (Hc). This confirmed MCF NPs were superparamagnetic. An antibacterial examination using green-method MCF showed a 10.8 mm zone of inhibition of Escherichia coli and 9.4 mm for Streptococcus pneumoniae.