RSC Advances

Tran, Linh; Phan, Thanh-Tung; Tran, Le Viet Ha; Nguyen, Minh Canh; Vo, Huu Canh; Tri Quang, Nguyen; Huu Le, Phuc Tran; Mai, Quang-Minh; Thai, Khac-Minh; Tran, Huynh Nguyen Khanh

doi: 10.1039/d6ra02679fpmid: 42245072

Ziziphus jujuba Lamk. (Táo Ta) is widely used in traditional Asian medicine as a superfruit. An ethanol extract of the Z. jujuba fruit exhibited remarkable inhibition against PTP1B and was isolated via bioassay-guided fractionation, resulting in the identification of fifteen active triterpenoids (1–15), namely, betulinic acid (1), corosolic acid (2), oleanolic acid (3), alphitolic acid (4), maslinic acid (5), 3-O-cis-p-coumaroyl alphitolic acid (6), 3-O-trans-p-coumaroyl alphitolic acid (7), 2-O-trans-p-coumaroyl alphitolic acid (8), 2-O-cis-p-coumaroyl alphitolic acid (9), ceanothic acid (10), zizyberanalic acid (11), trans-p-coumaroyl betulinic acid (12), betulonic acid (13), ursolic acid (14), and oleanonic acid (15). Their chemical structures were identified using nuclear magnetic resonance (NMR) spectroscopy and compared with those reported in other papers. Among the compounds tested for their effect against PTP1B and α-glucosidase, compounds 1–3 displayed the most potent inhibitory activity, with their IC50 values ranging from 6.75 to 17.02 µM. Besides, compounds 4, 10, and 13 exhibited weak PTP1B inhibitory activity (IC50 = 53.42 to 90.90 µM), while 5–15 showed no inhibitory effect at all tested concentrations. Additionally, molecular docking and molecular dynamics simulations were performed to evaluate the binding affinity of compounds 1–3 toward PTP1B and α-glucosidase, two key enzymes involved in glucose homeostasis. These interactions may contribute to the modulation of insulin signaling pathways and postprandial glucose levels, thereby improving glycemic control in diabetes. Moreover, in silico ADME and toxicity prediction further suggested that 1–3 possessed favorable pharmacokinetic properties and lower predicted toxicity. These findings provide a rational basis for using Ziziphus sourced from Vietnam to develop potential PTP1B and α-glucosidase dual inhibitors, warranting further investigations, and are considered the first report on the chemical and bioactive investigation of this species.

Ramasamy, Bhuvaneshwari; M. Peter Paul, Jeya; Raman, Kannan; Sundaram, Rajashabala

doi: 10.1039/d6ra02955hpmid: 42255149

The ever-increasing energy demand and rapid growth of modern industries enforce the scientific community to search for alternative renewable energy resources. To overcome the energy crisis, a hybrid electrochemical energy storage device, namely, supercapattery, is considered a promising green energy source as it combines the merits of supercapacitors and batteries. The present work deals with the electrochemical performance of bismuth oxyhalide/lemon peel-derived activated carbon (BOX-LPDAC, X = bromine, chlorine, or iodine) electrode materials for supercapattery applications. The highly porous sheet-like morphology of the prepared electrode materials promotes more charge storage of electrolytic ions during the electrochemical reaction. Moreover, the BOB-LPDAC (1575.15 C g−1), BOC-LPDAC (1228 C g−1) and BOI-LPDAC (905.37 C g−1) electrodes have high specific capacity than bare BOB (646.75 C g−1), BOC (530.91 C g−1), BOI (409.57 C g−1) and LPDAC (165.19 C g−1) electrodes due to the presence of synergistic battery-type faradaic (BOX) and capacitive-type (LPDAC) charge storage mechanisms. The fabricated solid-state symmetric supercapattery (BOB-LPDAC‖BOB-LPDAC) (SSC) device could deliver an energy density of 172.06 Wh kg−1 than the asymmetric supercapattery (BOB-LPDAC‖LPDAC) (ASC) device (47.1 Wh kg−1). Compared to the ASC device, the SSC device could power a 2 V red LED for 555 s and a 3.7 V electric motor fan for 122 s. Hence, the prepared BOB-LPDAC nanocomposite may serve as an excellent electrode material for solid-state symmetric supercapattery applications.

Alula, Melisew Tadele; Madingwane, Mildred Lesang

doi: 10.1039/d6ra02740gpmid: 42245070

Intensive industrial applications of manganese have increased its production from mineral sources, leading to increased emissions into surface and groundwater. The availability of manganese in water sources may result in debilitating health effects. It is, therefore, important to design an analytical method to monitor manganese in water sources. In this study, the localized surface plasmon resonance (LSPR) property of gold nanoparticles (AuNPs) is considered for sensing Mn2+. The extinction intensity of AuNPs increases on the addition of Mn2+. The extinction intensity of AuNPs increased linearly with the concentration of Mn2+ in the range of 0.5–25 µM. The limit of detection (LOD) in the linear range was computed to be 0.269 µM. Mn2+, producing the highest extinction response among the tested cations, shows the excellent selectivity of our method towards Mn2+. The applicability of the method in real sample analyses was tested using borehole groundwater. The recovery rates from the groundwater analyses ranged from 101–108%, showing the high accuracy of the method in the determination of Mn2+. The results show the potential of the method in the determination of Mn2+ in various environmental samples. In conclusion, this work shows the potential of the analyte-mediated colorimetric method for the detection of various target analytes.

He, Qinghao; Zhong, Jiahua; Li, Haonan; Li, Xionghui; Shi, Yixi; Zhang, Muyang; Zhou, Jie; Chen, Hao; Chen, Xinyi; Han, Zhuoting; Chu, Lok Ting; Zhang, Huiru; Guo, Weijin

doi: 10.1039/d6ra01317apmid: 42255140

Lateral flow test (LFT) has been a very popular platform for point-of-care testing (POCT). Traditionally, LFT uses (nitro)cellulose or microstructured polymer as the substrate. In this work, we develop a new LFT substrate by capillary deposition of cellulose on a microstructured polymer substrate off-stoichiometry thiol–ene (OSTE) synthetic paper, which is formed by interlocked slanted OSTE micropillars. This substrate has uniform thickness and stable lateral flow rate with customized design. The lateral flow rate can be adjusted by changing the dimensions of the LFT test strip, the concentration of deposited cellulose, or the Tween 20 concentration in cellulose to meet specific requirements. Spotting tests are conducted on this substrate to facilitate the following immobilization of immuno reagents. We successfully use this substrate in various applications including urine glucose detection (an enzyme-based immunoassay), iodate detection of saline solutions, and plasma separation from whole blood, which proves this substrate has enormous potential for LFT in POCT.

Elattar, Khaled M.; Elsayed, Ashraf; Elmetwalli, Alaa; El-Hersh, Mohammed S.; El-Khateeb, Ayman; Zaher, Ahmed A.; Bayoumy, Nesma M.; Salam, Mohamed Abdel; Ghoneem, Khalid M.; Al-Askar, Abdulaziz A.

doi: 10.1039/d6ra00556jpmid: 42245074

A green-assisted synthesis route was employed for the preparation of copper oxide/selenium dioxide (CuO/SeO2) and their polysaccharide-functionalized counterpart (CuO/SeO2/polysaccharide NCs), using clove extract as a reducing, chelating, and stabilizing agent. The formation of a crystalline CuO/SeO2 framework was confirmed through comprehensive characterization using X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), ultraviolet-visible spectroscopy (UV-Vis), Fourier-transform infrared spectroscopy (FTIR), high-resolution transmission electron microscopy (HR-TEM), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and zeta potential analysis, while a core–shell-like hybrid structure was suggested based on morphological observations. Phytochemical analysis revealed a reduction in phenolic compounds during the nanoparticle formation process, whereas an appreciable increase was observed in carbohydrates after the addition of the polysaccharide. The CuO/SeO2/polysaccharide NC exhibited enhanced antioxidant activity, with a DPPH IC50 value of 0.0096 ± 0.001 mg mL−1. Antibacterial activity exhibited strong, species-dependent inhibition, reaching a maximum of 38 ± 0.08 mm against Klebsiella pneumoniae with enhanced activity observed particularly against Gram-positive bacteria. Notably, the results obtained from the cytotoxicity assays demonstrated selective anticancer activity with low cytotoxicity against WI-38 normal fibroblasts (IC50 = 328.2 µg mL−1) and significant inhibitory effects against cancer cell lines, PC3 (IC50 = 18.42 µg mL−1), HeLa (13.70 µg mL−1), HT-29 (13.03 µg mL−1), and A549 (14.14 µg mL−1). The results demonstrate that polysaccharide-functionalized CuO/SeO2 nanocomposites exhibit enhanced physicochemical stability and tunable biological properties, highlighting their potential for further investigation in antioxidant, antimicrobial, and anticancer applications.

Cao, Yu; Zhang, Qingxu; Liu, Jiucong; Liu, Xizheng

doi: 10.1039/d6ra03303bpmid: 42245075

Si-based anodes with porous structures demonstrate improved electrochemical performance in Li-ion batteries; however, the collapse of pores during cycling remains a major challenge for practical applications. Herein, we report the construction of a hierarchical porous SiOx/Si composite anode with an inert Mg2SiO4 skeleton to stabilize the porous structure during reversible Li-storage. The Li-active components SiOx/Si are dispersed within a continuous rigid framework, enabling more effective confinement of volume changes and better preservation of structural integrity. The successful synthesis of porous SiOx/Si with an inert Mg2SiO4 framework is confirmed by XRD and XPS, indicating uniform distribution of active components within the framework. As a result, the specific capacity is improved from 519 mAh g−1 to 775 mAh g−1 after 100 cycles. The lithium-ion diffusion coefficient (DLi+) reaches 3.42 × 10−10 cm2 s−1, indicating that the stabilized hierarchical porous structure promotes efficient Li+ transport throughout repeated charge–discharge processes. The inert Mg2SiO4 framework remains stable even after long-term cycling. This study offers a new material design strategy for Si-based anodes, which will promote the practical application of porous structured Si anodes.

Parves, Md Shahazan; Mia, Md. Hasan; Alsalmi, Omar; Hasan, Md. Zahid

doi: 10.1039/d6ra04227apmid: 42245073

This present study presents a complete first-principles investigation of the structural, hydrogen storage, optoelectronic, mechanical, and thermodynamic properties of MgBH3 (B = Mo, In). Cubic phase structural stability was determined by formation energies, Goldschmidt tolerance factors, and octahedral factors. Hydrogen storage capacities were calculated as 2.45 wt% for MgMoH3 and 2.13 wt% for MgInH3, indicating reasonable desorption suitable for real-world energy storage. Electronic structure calculations (GGA-PBE) determine metallic conductivity as a result of valence and conduction band overlap. Optical analyses show that the high refractive index and strong absorption of MgBH3, combined with their metallic nature, ensure efficient charge transport and lattice stability. Mechanical stability is confirmed by the elastic constants satisfying Born's criteria. This stability, coupled with their distinct ductile nature, ensures robust structural integrity and prevents microcracking, making repeated hydrogen cycling highly stable. Strong elastic anisotropy is indicative of the directional dependence of hydride perovskites. Thermodynamic assessment: Debye temperature, lattice and minimum thermal conductivities, and Grüneisen parameter offer insight into phonon transport and heat capacity, confirming their utility as thermal barrier coatings at high temperatures. In short, MgBH3 (B = Mo, In) hydrides are multifunctional materials exhibiting moderate hydrogen-storage capability, robust mechanical stability, favorable thermal-management characteristics, and distinct dielectric and metallic optical responses.

Itas, Yahaya Saadu; Khandaker, Mayeen Uddin; Haldhar, Rajesh; Alrahili, Mazen R.

doi: 10.1039/d5ra10029apmid: 42245078

Halide perovskites have emerged as the current trending materials for applications in energy storage and other high-performance optoelectronic devices due to their charge-carrier dynamics, low defect density, enhanced breakdown voltage and high dielectric profiles. Si-doped materials, such as oxides and perovskites, play a significant role in high-efficiency capacitors because of the tunable charge storage mechanisms enabled by Si. Regulating the fabrication of Si-doped CsSrI3 dielectric materials is a crucial step to realize a practical metal-insulator-metal (MIM) capacitor with highly sustainable characteristics. Despite their potential, a recent literature survey shows that very few works have been performed on CsSrI3 perovskites, prompting further research on their various properties, especially in the context of charge storage. This review highlights the recent progress in Si-doped CsSrI3 perovskites as dielectric chips for MIM capacitor applications. The remaining challenges in the research on Si-based CsSrI3 perovskite optoelectronic devices are also discussed.

Hassan Hammouda, Gihan Abdelrahman; Musad Saleh, Ebraheem Abdu; Mahmud, Kashif; Iqbal, Muhammad Zahir; Kumar, Abhinav; Abd El-Aziz Kassem, Asmaa Fathy; Modawe Alshik, Nusiba Mohammed; Oza, Ankit Dilipkumar; Moharam Haqqi Mohammed, Marwa Mostafa

doi: 10.1039/d6ra01848cpmid: 42245079

The escalating global demand for reliable and sustainable energy sources has intensified the need for advanced supercapacitor technologies capable of bridging the gap between capacitors and conventional batteries. However, the development of novel electrode material governing competitive specific capacity, energy and power density is critical. In this work, strontium-benzene tetracarboxylic acid metal–organic framework (Sr-BTCA) incorporated with PANI and NPG was synthesized and evaluated as an electrode material. Their synergistic integration of these components exploits their individual advantages. The electrochemical measurement demonstrates that Sr-BTCA/PANI/NPG based composite delivers specific capacity of 645.5 C g−1 at 1.5 A g−1. Furthermore, the assembled two electrode hybrid device exhibit maximum energy density of 74.5 Wh kg−1. Linear and quadratic models were applied on the experimental data to estimate the capacitive and diffusive contributions. The quadratic model provides a better fit on experimental as compared to the linear model which reveals that capacitive-controlled charge storage dominates at higher scan rates, confirming fast electrochemical kinetics. These results highlight the strong synergistic interaction among the MOF, PANI, and NPG components, positioning the Sr-BTCA/PANI/NPG composite as a promising electrode material for high-performance supercapacitor applications.

Sharma, Ravinder; Kumar, Sandeep; Tshibangu, Marc Mulamba; Bahadur, Indra

doi: 10.1039/d6ra01144fpmid: 42245076

The present study explores the thermodynamic and molecular interaction behaviour of l-threonine and its dipeptide glycyl-l-threonine in aqueous solutions of the ionic liquid 1-octyl-3-methylimidazolium bromide [OMIm][Br] across a temperature range of 288.15–318.15 K. Accurate measurements of solution density and ultrasonic velocity were undertaken to evaluate key thermodynamic parameters, including apparent molar volume, limiting partial molar properties, transfer volumes, and apparent molar isentropic compressibility. These parameters offer quantitative insights into solute–solvent and solute–solute interactions, highlighting the structure-making or structure-breaking tendencies of the solutes in the ionic liquid–water medium. Results show that both solutes act as structure-makers, with glycyl-l-threonine demonstrating stronger solute–solvent interactions than l-threonine, likely due to the presence of the peptide linkage and increased hydrogen-bonding ability. The effects of temperature and ionic liquid concentration further support the kosmotropic nature of [OMIm][Br], which stabilises hydrophilic and polar groups through hydrogen bonds and electrostatic interactions. To complement the experimental data, molecular docking, molecular dynamics simulations, and DFT-based quantum-chemical analyses were performed to reveal the electronic properties, interaction energies, and hydrogen-bonding patterns that control peptide–ionic liquid interactions. The combined experimental and computational results offer a clear understanding of the solvation dynamics and stabilisation mechanisms of peptides in ionic liquid–water systems. These findings enhance the fundamental understanding of biomolecular behaviour in engineered solvent environments and provide practical insights for developing IL-based platforms for peptide and protein drug-delivery formulations.