https://jns.abru.ac.ir/ Journal of nanoporous system en daily 1 Mon, 01 Sep 2025 00:00:00 +0330 Mon, 01 Sep 2025 00:00:00 +0330 https://jns.abru.ac.ir/article_726583.html Benzo[α]pyrene is one of the polycyclic aromatic hydrocarbon compounds present in the atmosphere, produced through the incomplete combustion of fossil fuels, and is a known carcinogen. This study investigates the potential deactivation of benzo[α]pyrene through a reaction with C20 fullerene using quantum computational methods. For this purpose, the thermodynamic and kinetic parameters of the [4+2] reaction between benzo[α]pyrene and fullerene were calculated. The results showed that this reaction is thermodynamically favorable with negative enthalpy and free energy. Kinetically, it occurs with a rate constant of 9.24 ×10−5 s−1 at a temperature of 25oC. Using Fukui functions, the active sites of benzo[α]pyrene for the reaction were identified. The effective orbital for the FERMO reaction of this molecule was also determined. This orbital is located at an energy level of -0.2564 a.u., where the contributions from the active site atoms (atoms 1 and 4) are maximized and can interact with the LUMO orbital of fullerene. The results from the General Electron Density Transfer (GEDT) calculations indicated that in this reaction, an electron is transferred from benzo[α]pyrene to fullerene, and the reaction exhibits some polar character. Finally, the calculations of reaction synchrony showed a low degree of synchrony, indicating that the progress of forming two bonds between fullerene and benzo[α]pyrene in the transition state is not identical. https://jns.abru.ac.ir/article_729838.html Ultra-Stable Y (USY) zeolite plays a pivotal role in Fluid Catalytic Cracking (FCC) catalysts due to its exceptional thermal stability, high surface area, and unique pore structure. These properties make USY zeolite indispensable in refining processes, particularly in the conversion of heavy hydrocarbons into valuable lighter fractions. Developing indigenous capabilities for the synthesis of USY zeolite is strategically important for Iran, as it would reduce reliance on imports and bolster the domestic catalyst and absorbent industries. However, the synthesis of zeolites, including USY, is inherently water-intensive, involving multiple stages such as hydrothermal crystallization, washing, and ion exchange. This poses a significant challenge in Iran, where water scarcity is a pressing national concern, especially for industrial sectors. Addressing water consumption in zeolite production is therefore not only an environmental imperative but also a key factor in ensuring the sustainability and scalability of local manufacturing efforts. This short-review article investigates the water usage associated with industrial-scale zeolite synthesis, with a focus on identifying opportunities for water conservation and process optimization. By evaluating current practices and exploring alternative methods, such as dry gel conversion or recycling of process water, the study aims to contribute to the development of more sustainable production pathways for USY zeolite in water-stressed regions. https://jns.abru.ac.ir/article_728707.html Corrosion is a pervasive issue and degradation phenomenon with huge consequences effects on human life and national economic development and also severe security implications. Thus, issues such as accurate assessment, prevention and prediction with green type of anti-corrosion materials based on the nanotechnology with high activity are fundamental to maintaining the integrity of many critical components and installations. The anti-corrosive of the present work is based on a novel phosphate-free nanocomposite containing polymer/zeolite nanocomposite. Polymer nanocomposites of polyaniline (PANI)-based NaY zeolite was synthesized by in situ chemical oxidative microemulsion polymerization by rapid mixing in a hydrochloric acid medium as anticorrosion nanocomposite coating to study its performance. DLS analysis was used to characterize particle size of the prepared nanocomposite. The obtained results and also AFM images show that the used nanocomposite can more effectively prevent corrosion up to 90% without any use of amine and oxygen scavenger. The improvement in the corrosion resistance of C1018 alloy due to the application of polymer/zeolite coating can be attributed to the uniformity and the inert nature of this coating. https://jns.abru.ac.ir/article_729248.html Abstract: Adsorption technologies comprise most important techniques and play a significant role in both environmental and human health control as well as in prevention of global warming and ozone layer depletion. The prospective demands towards adsorption and related domains are based on a growing concern for environmental control and for increase of life quality, too. Chronology of significant milestones supporting environmental protection and sustainable development on the Earth are introduced in this paper, respectively.Abstract: Adsorption technologies comprise most important techniques and play a significant role in both environmental and human health control as well as in prevention of global warming and ozone layer depletion. The prospective demands towards adsorption and related domains are based on a growing concern for environmental control and for increase of life quality, too. Chronology of significant milestones supporting environmental protection and sustainable development on the Earth are introduce d in this pa per, respectively. https://jns.abru.ac.ir/article_726585.html A newly developed heterogeneous catalyst, ZSM-5@APTMS, has been synthesized with a focus on enhancing its efficiency and reusability. This catalyst incorporates a double Schiff-base functionalization of (E)-4-((pyridin-2-ylimino) methyl) benzaldehyde, which stabilizes palladium nanoparticles (Pd-NPs) to improve their performance in carbon-carbon coupling reactions under mild conditions. Palladium-based catalysts are particularly sought after for their effectiveness in facilitating the formation of carbon-carbon bonds, making them invaluable in the synthesis of various functional organic compounds. Furthermore, a direct correlation has been identified between the catalytic performance of the palladium nanoparticles and the density of acid sites present in the ZSM-5 framework during organic reactions. In this study, we developed a highly effective heterogeneous catalyst derived from ZSM-5, which was functionalized with (E)-4-((pyridin-2-ylimino) methyl) benzaldehyde and incorporated with palladium nanoparticles. This catalyst, referred to as ZSM-5@ APTMS@ (E)-4-((pyridin-2-ylimino) methyl) benzaldehyde@Pd-NPs, was successfully synthesized and employed to enhance cross-coupling reactions in water, serving as a green solvent under mild conditions. Initially, ZSM-5 underwent immobilization using APTMS (3-aminopropyltrimethoxysilane), followed by modification with (E)-4-((pyridin-2-ylimino) methyl). This amine-activated Zeolite@ (E)-4-((pyridin-2-ylimino) methyl) was subsequently utilized to enhance the stabilization of palladium as metal nanoparticles. The reduction of palladium (II) to palladium (0) was achieved through treatment with hydrazine, resulting in the formation of active metal sites. The characteristics of the Pd/ZSM-5@ structure were thoroughly analyzed using FTIR, SEM, TEM, XRD, EDS, and ICP-AES techniques. The catalyst demonstrated significant advantages, including compatibility in aqueous environments, high thermal stability, exceptional catalytic efficiency, and reusability. https://jns.abru.ac.ir/article_728506.html This study presents a design for a controlled drug delivery system using modified SBA-16 mesostructure as carrier and temozolamide as drug. Physicochemical properties to confirm the structure of modified SBA-16 after synthesis were characterized using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and elemental analysis (EDX). The effect of effective parameters on drug loading including pH, initial drug concentration, nanocarrier amount, temperature and contact time were investigated using response surface methodology (RSM), central combination model (CCD) by design of experiment (DOE) software. Drug release was studied in three simulated body environments at 37°C, including neutral environment with pH=6.8, acidic environment with pH=4.8 and alkaline environment with pH=7.4 at times of 1, 2, 3, 4, 12, 24, 48 and 72 hours. The data obtained from isotherm determination and drug loading kinetic studies showed that the drug loading process followed the Langmuir isotherm with R2 = 0.9936 and the quasi-kinetic second-order model with R2 = 0.9953. Also, thermodynamic studies showed that drug loading onto the synthesized nanocarrier is an exothermic and spontaneous process. https://jns.abru.ac.ir/article_731976.html Zeolites are microporous aluminosilicates with ion exchange and adsorption properties. Beyond their antibacterial and biocompatible nature, they exhibit antioxidant and anti-inflammatory activities, which can reduce oxidative stress and apoptosis. Excessive reactive oxygen species (ROS) are implicated in the pathogenesis of infertility, cancer, and other diseases. Preclinical studies in animals demonstrate that zeolites can mitigate ROS-induced tissue damage, improve sperm and oocyte quality, and support reproductive organ function. Moreover, clinical evidence in humans indicates that zeolite supplementation reduces oxidative stress markers as malondialdehyde (MDA) and modulates antioxidant enzyme activity such as superoxide dismutase (SOD), catalase (CAT), glutathione peroxidase (GPx), and glutathione reductase (GR) and in addition, regulates the secretion of inflammatory cytokines (such as TNF-α ) induced by oxidative stress. Zeolite-based drug delivery systems also show promise in the treatment of reproductive cancers. This mini-review summarizes the therapeutic potential of zeolites in reproductive health, highlighting mechanisms, benefits, limitations, and directions for future research. https://jns.abru.ac.ir/article_732972.html This study investigates low-cost, reusable Fe₃O₄@Humic acid/montmorillonite core-shell nanocomposites as high-efficiency adsorbents for removing methyl orange (MO) dye from aqueous solutions. The nanocomposites were characterized using FT-IR, TEM, SEM, XRD, and BET/BJH analysis to assess structural and surface properties. The results to report the specific surface area (30.23 m²/g), total pore volume (0.098 cm³/g), and average pore diameter (in the mesoporous range of 1-10 nm) for the Fe₃O₄@HA/MMT composite. Adsorption efficiency was optimized over 300 minutes using response surface methodology (RSM) with a five-factor, three-level central composite design. Kinetic studies revealed that the process follows a pseudo-second-order model (R² > 0.99). Equilibrium data were evaluated using Langmuir, Freundlich, Temkin, Dubinin–Radushkevich, and Harkins–Jura isotherms, with the Freundlich model providing the best fit, indicating multilayer adsorption on a heterogeneous surface. Thermodynamic analysis showed: The negative ΔG° values confirm spontaneity, while their magnitudes (-6.26–-9.86 kJ/mol) suggest physical adsorption. The positive ΔH° value (15.2 kJ/mol) confirms that the process is endothermic. Increased entropy (0.05 kJ/mol·K) points to enhanced surface disorder and MO-adsorbent interactions. The positive activation energy (Eₐ = 18.3 kJ/mol) further corroborates the endothermic nature. A near-zero sticking probability (S* ≈ 0) reinforces the physical adsorption mechanism. These findings highlight the nanocomposite’s potential as a sustainable, high-performance solution for dye wastewater treatment. https://jns.abru.ac.ir/article_733261.html Abstract: Hydrogen peroxide (H2O2) is a vital oxidizing and signaling molecule extensively used across biomedical, environmental, and industrial fields. Accurate and rapid quantification of H₂O₂ is crucial for ensuring safety and process efficiency. In this work, a novel electrochemical sensor based on the synergistic integration of MXene materials and deep eutectic solvents (DESs) was developed for the sensitive and stable detection of H2O2. MXenes, with their exceptional electrical conductivity and catalytic activity, serve as an efficient electrocatalytic platform, while DESs enhance their dispersion, stability, and electrochemical performance by preventing oxidation and aggregation. The resulting MXene-DES composite electrode exhibited a wide linear detection range (0.01-8.0 mM) and a low detection limit (1.5 μM). Moreover, the sensor demonstrated excellent reproducibility, long-term stability, and successful application in detecting H2O2 in real serum samples, underscoring its potential for clinical diagnostics and environmental monitoring. This study provides a green and efficient strategy for developing next-generation electrochemical sensors by combining advanced two-dimensional materials with environmentally benign solvent systems. https://jns.abru.ac.ir/article_733262.html SBA-16 (Santa Barbara Amorphous) has a high surface-to-volume ratio due to its villi structure. Due to its thermal and physicochemical stability, it has wide applications in chromatography, molecular imaging, catalyst, and pharmaceutical industries. Recently, due to the lack of molecular toxicity, it has attracted the attention of many researchers as drug delivery systems. In addition, mesoporous silica, especially SBA-16, has a higher drug loading capacity than other carriers. Mesoporous silica not only has a high drug loading capacity, but can also control the rate of drug release by functionalizing the inner wall. In this review, we will study some results extracted from articles on the use of SBA-16 and its derivatives in the field of drug delivery and pollutant removal. SBA-16 (Santa Barbara Amorphous) has a high surface-to-volume ratio due to its villi structure. Due to its thermal and physicochemical stability, it has wide applications in chromatography, molecular imaging, catalyst, and pharmaceutical industries. Recently, due to the lack of molecular toxicity, it has attracted the attention of many researchers as drug delivery systems. In addition, mesoporous silica, especially SBA-16, has a higher drug loading capacity than other carriers. Mesoporous silica not only has a high drug loading capacity, but can also control the rate of drug release by functionalizing the inner wall. In this review, we will study some results extracted from articles on the use of SBA-16 and its derivatives in the field of drug delivery and pollutant removal. https://jns.abru.ac.ir/article_733263.html Advancements in corrosion science increasingly leverage nanoarchitecture materials to develop multifunctional protective coatings. This review highlights the efficacy of engineered nanoclays specifically montmorillonite (MMT) and layered double hydroxides (LDHs) as intelligent host materials for eco-friendly inhibitors within polymer matrices. Their unique layered structures, when surface-functionalized with organic modifiers, achieve two critical objectives. First, they facilitate excellent dispersion, forming an impermeable nanoscale labyrinth that physically blocks corrosive agents such as water, oxygen, and chloride ions. Second, the modified interfaces act as selective gateways, enabling controlled, on-demand release of encapsulated inhibitors such as plant extracts or cerium cations triggered by local corrosion stimuli like pH changes or chloride ions. This responsive action delivers autonomous self-repair at defect sites, effectively halting corrosion propagation. The resulting nanocomposites exhibit synergistic enhancements in long-term barrier performance, mechanical strength, adhesion, and thermal stability. Furthermore, many systems demonstrate potent antimicrobial activity. This integrated approach offers a robust, durable, and sustainable alternative to traditional toxic inhibitor systems, significantly extending the service life of industrial infrastructure. https://jns.abru.ac.ir/article_733598.html Pharmaceutical pollutants such as Diclofenac (DCF) remain in aquatic environments, leading to risks for ecological and human health. This research introduces a novel nanoporous magnetic Fe₃O₄@Bi₂O₃ core-shell nanocomposite intended for effective DCF adsorption. The composite features a magnetic Fe₃O₄ core encased in a highly porous, flower-like Bi₂O₃ shell, ensuring easy separability and outstanding uptake capacity. Structural analyses, including SEM, TEM, XRD, FT-IR, and BET, verified the successful creation of a nanoporous material with a surface area of 11.19 m² g⁻¹. Batch adsorption tests assessed the influences of initial DCF concentration, adsorbent dosage, contact time, and pH values. Findings revealed that the nanocomposite demonstrated remarkable adsorption capability, attributed to its extensive surface area and the synergistic interactions of the core and shell. Maximum monolayer capacity was recorded at 84.7 mg g⁻¹, aligning with the Freundlich isotherm and following pseudo-second-order kinetics. The Fe₃O₄@Bi₂O₃ showed excellent reusability and significant promise for sustainable water treatment, with adsorption mechanisms driven by electrostatic interactions, π–π stacking, and pore-filling within the nanoporous.