Journals
2025 EN
Ibrahim Mahmoud A. A. · Moussa Nayra A. M. · Rady Alshimaa S. M.
+4 more
Abstract In this paper, attempts were made to investigate the adsorption potential of pristine and alkaline earth metal (AEM)‐decorated C 24 N 24 fullerenes toward the halomethanes (XCH 3 , where X═F, Cl, and Br). By means of DFT calculations, the XCH 3 ⋯C 24 N 24 and ⋯AEM@C 24 N 24 complexes (AEM═Be and Mg) were adequately examined. Upon energetic features, the FCH 3 ⋯Mg@C 24 N 24 complex exhibited the most negative adsorption and interaction energies with values of −21.01 and −22.61 kcal/mol, respectively. From thermodynamic analysis, spontaneous and exothermic natures of XCH 3 ⋯Mg@C 24 N 24 interactions were affirmed, unveiling favorable role of Mg decoration in enhancing the adsorption process. From SAPT analysis, the electrostatic forces dominated the interactions within the XCH 3 ⋯C 24 N 24 and ⋯Be/Mg@C 24 N 24 complexes. Upon FMOs analysis, notable alterations in the distribution of molecular orbitals of studied fullerenes were noticed, indicating the effect of XCH 3 adsorption on the electronic features of the studied fullerenes. Further, the E gap values were decreased after the adsorption process which enhanced electrical conductivity of studied fullerens. From DOS plots, the capacity of the C 24 N 24 and Be/Mg@C 24 N 24 to adsorb the XCH 3 molecules was affirmed. Solvation energies demonstrated the favorability of the studied adsorption process in the water phase. The present findings established C 24 N 24 and AEM@C 24 N 24 fullerenes as potential effective candidates for detecting halomethanes.
Journals
2025 EN
Aytar Erdi Can · Basılı Taşkın · Durmaz Alper
+4 more
Abstract This study presents a novel, zero‐waste process for producing copper nanoparticles (CuNPs), activated carbons (ACs), and oil extract (OE) from a plant Erigeron canadensis L. in Sp. Pl.: 863 (1753). This method optimizes resource utilization and eliminates waste, offering a sustainable approach to green synthesis. The NPs were characterized using XRD, SEM, and FTIR. Their effectiveness was evaluated through comparative studies on methylene blue removal, antioxidant capacity, and antibacterial activity. The prepared OE exhibited superior antibacterial properties, particularly against Klebsiella pneumoniae subsp . pneumoniae ATCC 13883 (inhibition zone: 19 ± 0 mm) and Proteus vulgaris RSKK 96029 (inhibition zone: 18.7 ± 0.6 mm). The AC demonstrated exceptional dye adsorption efficiency, ranging from 98.62% to 99.50%. Antioxidant tests revealed that CuNPs possessed strong antioxidant capacity, with an IC 50 of 0.023 ± 0.002 mg/mL in the DPPH radical scavenging test and 0.41 ± 0.07 mg/mL in the iron chelation test. The OE demonstrated lower DPPH scavenging capacity (0.43 ± 0.01) but significant iron‐chelating ability (41.94 ± 1.06). In comparison, standard antioxidants EDTA and BHT showed lower effectiveness in their respective tests. These experimental findings underscore the potential of this green approach for bio zero‐waste‐derived products in environmental and biomedical applications, highlighting its broad applicability.
Journals
2025 EN
Ibrahim Alaa I. · Attia Adel M. · Sahyon Heba A.
+1 more
Abstract Protocatechuic acid (PCA) has antioxidant, anticancer, and antidiabetic properties. However, its poor water solubility affects its absorption and bioavailability. Bovine serum albumin nanoparticles (BSA‐NPs) can encapsulate significant amounts of hydrophobic substances by attracting charged molecules through electrostatic adsorption. This study aimed to prepare PCA‐loaded BSA nanoparticles, producing PCA‐BSA‐NPs, and subsequently characterize the resulting nanocomposite using zeta potential, dynamic light scattering, X‐ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM). In vitro, PCA‐BSA‐NPs were evaluated for their anticancer, antioxidant, and free radical scavenging properties. Our data indicated that the average particle size of PCA‐BSA‐NPs was 202 nm. The in vitro study demonstrated that PCA‐BSA‐NPs exhibited potent anticancer activity comparable to doxorubicin. Additionally, PCA‐BSA‐NPs displayed highly antioxidant activity (2,2‐diphenyl‐1‐picrylhydrazyl (DPPH), superoxide dismutase (SOD) like activity, and catalytic activity) and a strong antidiabetic effect ( α ‐amylase inhibition). The drug release study indicated the effective release of PCA from PCA‐BSA‐NPs at pH = 6.5, which is suitable for targeting cancer cells. In conclusion, PCA‐BSA‐NPs could provide a more effective and safer alternative to traditional chemotherapeutic agents like doxorubicin. Moreover, their higher antioxidant and antidiabetic activities could expand their therapeutic applications, making them valuable in treating oxidative stress‐related diseases and diabetes.
Journals
2025 EN
Alodaini Hissah Abdulrahman · Alarjani Khaloud Mohammed · Alkubaisi Noorah A.
+5 more
Abstract Caralluma tuberculata , a medicinal plant of the Apocynaceae family, has long been used to treat inflammation, oxidative stress, and metabolic problems. This study aimed to analyze the phytochemical composition of the aerial parts of C. tuberculata and evaluate its biological activities, which included antioxidant, anticancer, antibacterial, and antidiabetic properties. The aerial parts of C. tuberculata were analyzed using GC–MS. Total phenolic content (TPC) and total flavonoid content (TFC) were determined by Folin Ciocalteu and aluminum chloride methods, respectively. In vitro antioxidant, anticancer, antibacterial, and antidiabetic activities were performed. In silico molecular docking was utilized using Maestro 11.5 from the Schrödinger suite. The TPC (83.12 ± 1.26 mg GAE/g of extract) of the aerial parts of the C. tuberculata extract were richer compared to TFC (47.45 ± 1.37 mg QE/g of extract) and exhibited moderate antioxidant activity in DPPH (IC 50 : 127.99 ± 1.72 µg/mL) and ABTS (IC 50 : 182.61 ± 1.88 µg/mL) assays. It was cytotoxic to MCF‐7 with IC 50 = 161.62 ± 1.92 µg/mL and HepG2 cells (IC 50 values of 151.87 ± 2.15 µg/mL) and regulated apoptotic pathways, increasing pro‐apoptotic gene expression. Antibacterial studies revealed a broad range of action, particularly against Gram‐positive bacteria. The extract of C. tuberculate's aerial parts had minimum bactericidal concentration (MIC) values ranging from 6.25 to 50 µg/mL. The extract effectively inhibited α‐amylase and α‐glucosidase, indicating potential antidiabetic effects, with IC 50 values 317.12 ± 2.17 µg/mL and 372.14 ± 1.64 µg/mL, respectively. Molecular docking revealed that 2,3‐dihydro‐3,5‐dihydroxy‐6‐methyl‐4h‐pyran‐4‐one, 8,8‐Dimethyl‐4‐methylene‐1‐oxaspiro [2.5] oct‐5‐ene, and 2,5‐Monomethyl were the molecules identified in C . tuberculata most active against the active sites of the three receptors studied. In conclusion, C. tuberculata has a diverse phytochemical profile with promising antioxidant, anticancer, antibacterial, and antidiabetic properties, making it a prospective option for developing therapies for metabolic disorders, infections, cancer, and age‐related illnesses.
Journals
2025 EN
Gautam Divya · Rana Vishal · Sharma Saurabh
+5 more
Abstract Hemicelluloses, a key component of lignocellulosic biomass, are versatile noncellulosic polysaccharides that play a crucial role in various industrial applications. Despite their abundance, hemicelluloses have often been overshadowed by cellulose due to their lower commercial value. However, recent advancements in extraction and modification techniques have opened new avenues for their utilization in high‐value applications. This comprehensive review delves into the structural diversity of hemicelluloses, highlighting the various extraction and pre‐treatment methods tailored to different plant sources and processing conditions. Extraction methods vary widely, including physical techniques such as steam and hot water extraction (green and fast), chemical methods like alkaline (scalable and quantitative) and acid extraction, as well as advanced approaches like microwave‐assisted hydrothermal extraction (fast and specific). Each method comes with its own set of advantages and limitations, which are critically discussed in this review. Functionalization of hemicelluloses, which enhances their properties (moisture, mechanical, and so on) and broadens their application potential (in food, agriculture, packaging, and so on), is also covered extensively. Applications of modified hemicelluloses in sectors such as biofuels, bioplastics, and pharmaceuticals are explored, with an emphasis on their future potential in sustainable and eco‐friendly technologies.
Journals
2025 EN
Ayoup Mohammed Salah · Awad Laila F. · Negm Amr
+3 more
Abstract Click chemistry is adopted to synthesize the new hybrids of glycoconjugates‐1,2,3‐triazole tethered with 1,2,4‐oxadiazole 5a–c in a single step. Structure identification of the synthesized compounds was elucidated from their spectral analyses. The antiproliferative activity of the developed glycoconjugates was evaluated against MCF‐7 breast carcinoma, HeLa cervical carcinoma, and the normal Vero cell lines. Additionally, the antimicrobial and antimalarial potentials of the new glycoconjugates were estimated in vitro against a plethora of Gram‐negative and Gram‐positive bacteria, fungi, and Plasmodium chabaudi . The glycoconjugate 5b (benzyl substituted) exhibited 2.07‐fold more cytotoxic activity than doxorubicin against the MCF‐7 cell line. Regarding the HeLa cervical cell line, the glycoconjugate 5b (benzyl substituted) showed comparable potency to doxorubicin. Glycoconjugates 5a–c displayed significant inhibition against investigated bacterial and fungal strains. The glycoconjugate 5c (4‐trifluoromethylphenyl substituted) exhibited excellent antibacterial activity with 30.6 mm ZOI and MIC value of 1.95 µg/mL against Enterococcus faecalis and 29.8 mm ZOI and MIC value of 1.73 µg/mL against Staphylococcus aureus . The three glycoconjugates showed significant antimalarial activity. The glycoconjugate 5a (phenyl substituted) inhibited the parasite's growth by 94.6% at a concentration of 10 µg/mL, The results revealed the synthesized glycoconjugates as interesting therapeutic candidates for further development.
Journals
2025 EN
AlSakhen Mai F. · Kanaan Sana I. · Saleh Khaled
+8 more
Abstract Three new N ‐alkylpyridinium‐based 2‐methoxy chalcones with long, fatty alkyl chains were prepared and tested for their anticancer and antiparasitic activities. The N ‐octadecyl derivative ( 2c ) displayed considerable activity against and selectivity for BRAF‐mutant HT‐29 colorectal carcinoma cells. Increased mRNA expression of caspases and apoptosis induction was found. In addition, expression of MEKs and ERKs was upregulated. EGFR inhibition was identified as mechanism of action for this compound further supported by in silico molecular docking studies, which revealed a binding energy of −9.19 kcal/mol against EGFR. Additionally, a strong binding affinity for VEGFR‐2 was observed with a binding energy of −11.01 kcal/mol. The development of the described chalcone as anticancer drug appears to be promising. In addition, all three tested chalcone derivatives exhibited significant activities against Toxoplasma gondii and Leishmania major parasites, albeit without selectivity. Thus, the present study describes for the first time the kinase‐inhibitory, anti‐leishmanial, and anti‐toxoplasmal activities of N ‐alkyl azachalconium compounds.
Journals
2025 EN
Ibrahim Mahmoud A. A. · Mahmoud Amna H. M. · Mekhemer Gamal A. H.
+3 more
Abstract Density functional theory methods were applied to examine the potential of β 12 nanosheet as a sensor toward the toxic pnictogen hydrides (XH 3 ; X = N, P, and As). Geometry relaxation computations were performed for all XH 3 ∙∙∙ β 12 complexes at different adsorption sites, followed by adsorption energy ( E ads ) calculations. The energetic manifestations demonstrated that β 12 showed a desirable sensitivity toward AsH 3 with the most significant E ads (−4.68 kcal/mol). However, the sensing amplitude of β 12 decreased as the atomic size of the pnictogen atom decreased, with E ads values of −4.24 and −3.69 kcal/mol for PH 3 ∙∙∙ and NH 3 ∙∙∙T1@ β 12 complexes, respectively. From FMO results, E HOMO , E LUMO , and E gap values for the pristine β 12 were altered following the adsorption process. Based on Bader charge transfer analysis, β 12 exhibited an electron‐accepting character during the adsorption process of NH 3 , PH 3 , and AsH 3 molecules, supported by negative Q t values of −0.0029, −0.0085, and −0.0069 e , respectively. Interestingly, the effect of the doping process on the potential of β 12 to detect XH 3 molecules was evaluated using carbon‐ and beryllium‐dopants. The adsorption findings demonstrated that the doping process enhanced the sensing potential of β 12 toward XH 3 molecules. The current results offer a fundamental basis for investigating the application of β 12 as a promising sensing material.
Journals
2025 EN
Ibrahim Bnar M. · Saaid Arazw A.
Abstract The composite of partially esterified cellulose (PES) and lignin was extracted from walnut shells using a choline chloride/oxalic acid mixture, known as a deep eutectic solvent (DES). This composite was used to remove heavy metal ions from the water‐based mixture. Various physicochemical techniques, including FTIR, FESEM, NMR, BET, and EDX, were utilized to characterize the resulting adsorbent. The adsorption of lead and cadmium ions was modeled using the PSO and Langmuir equations, with the composite adsorbent demonstrating maximum adsorption capacities of 88.49 mg/g for cadmium and 112.36 mg/g for lead. Several factors influencing metal ion adsorption were investigated, including shaking time, temperature, adsorbent dosage, pH, and metal ion concentration. Notably, the absorbent could be regenerated and reused through treatment with 0.1 M hydrochloric acid.
Journals
2025 EN
Salih Ibrahim Luqman · Othman Parwarda · Amin Shukria
+3 more
Abstract The growing demand for rapid, low‐cost, and portable analytical tools in pharmaceutical quality control has intensified interest in smartphone‐assisted paper‐based analytical devices (PADs). In this study, we report a novel PAD integrated with smartphone‐based detection for the quantification of paracetamol in pharmaceutical products. The assay is based on a simple colorimetric reaction between paracetamol and sodium nitroprusside, producing a distinct green color with maximum absorbance at 700 nm. The color intensity, which correlates with paracetamol concentration, is quantified using red, green, and blue (RGB) values captured by a smartphone camera. The method demonstrated a linear response over the range of 0.4–3.6 mM, with a detection limit of 0.288 mM. Results showed a strong correlation with conventional UV–vis spectrophotometry, confirming analytical reliability. The device exhibited excellent reproducibility and minimal interference from common pharmaceutical excipients. Recovery studies on various commercial formulations—such as tablets, syrups, droppers, and ampoules—yielded recovery rates ranging from 94% to 109%. To the best of our knowledge, this is the first application of smartphone‐based RGB color analysis on a paper‐based platform for paracetamol detection. The method offers a robust, user‐friendly, and affordable alternative for pharmaceutical quality assessment, particularly suitable for resource‐limited and point‐of‐care settings.