Journal of the Indian Chemical Society最新文献_第7页

Developing rigorous machine learning models to accurately estimate pesticide photodegradation by ZnO-based photocatalysts in water 建立严格的机器学习模型，以准确估计水中zno基光催化剂对农药的光降解

IF 3.4 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2025-12-24 DOI: 10.1016/j.jics.2025.102370

Farag M.A. Altalbawy , Shoira Formanova , Ahmad Almalkawi , H.S. Shreenidhi , Prabhat Kumar Sahu , Jyoti Malik , D.V.S. Ravi Varma , Vatsal Jain , Ahmad Alkhayyat , Ahmad Khalid

Pesticide contamination presents a considerable threat to human health and ecosystems, and photocatalysis is commonly utilized for pesticide breakdown. This research explores the forecasting abilities of machine learning models in predicting the photodegradation of pesticides with ZnO-based photocatalysts in water. By utilizing a comprehensive dataset derived from existing literature, the key physicochemical and process parameters, including light source type, dopant-to-Zn mass ratio, pesticide concentration, solution pH, and irradiation duration, were examined. Several machine learning techniques are employed, ranging from classic models of linear regression and decision trees to advanced artificial neural networks (ANN), CatBoost, and ensemble learning strategies. The performance of the models was assessed through standard evaluation criteria, namely the coefficient of determination (R²), mean squared error (MSE), and mean relative deviation (MRD), which together provide a comprehensive measure of predictive accuracy and reliability. The results reveal that ANN and CatBoost models outperform simpler models, achieving high R² values (0.9234 and 0.9262, respectively) and low MSEs (40.67 and 39.16). Through advanced visual techniques, it is confirmed that ANN and CatBoost exhibit superior predictive accuracy and robustness, with minimal prediction errors. Additionally, the Shapley Additive exPlanations (SHAP) method is hired to understand feature significance, revealing that irradiation duration and initial pesticide concentration are the most influential factors in photodegradation. This work provides insights into optimizing pesticide photodegradation processes and emphasizes the utility of data-driven models in environmental remediation. In practice, these models can support the design of more efficient water treatment protocols, thereby contributing to improved public health and ecological safety.

农药污染对人类健康和生态系统造成严重威胁，光催化技术是农药降解的常用手段。本研究探讨了机器学习模型在预测水中zno基光催化剂对农药光降解的预测能力。通过利用现有文献的综合数据集，研究了关键的物理化学和工艺参数，包括光源类型、掺杂剂与zn的质量比、农药浓度、溶液pH和照射时间。采用了几种机器学习技术，从经典的线性回归模型和决策树到先进的人工神经网络（ANN）、CatBoost和集成学习策略。通过标准的评价标准，即决定系数（R2）、均方误差（MSE）和平均相对偏差（MRD）来评估模型的性能，这些标准共同提供了预测准确性和可靠性的综合衡量标准。结果表明，ANN和CatBoost模型优于简单模型，R2值较高（分别为0.9234和0.9262），mse较低（分别为40.67和39.16）。通过先进的视觉技术，证实了人工神经网络和CatBoost具有卓越的预测准确性和鲁棒性，预测误差最小。此外，利用Shapley Additive explanation （SHAP）方法了解特征意义，发现辐照时间和初始农药浓度是影响光降解的最主要因素。这项工作为优化农药光降解过程提供了见解，并强调了数据驱动模型在环境修复中的效用。在实践中，这些模型可以支持设计更有效的水处理方案，从而有助于改善公共健康和生态安全。

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引用次数: 0

Polyvinyl alcohol nanocomposite films with activated charcoal and titanium dioxide for efficient dye removal through combined adsorption and photocatalysis 聚乙烯醇纳米复合膜与活性炭和二氧化钛的有效去除染料通过联合吸附和光催化

IF 3.4 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2025-12-24 DOI: 10.1016/j.jics.2025.102374

Teena Saini , Jagram Meena , Manish Jain

This study presents the development of a reusable PVA/AC nanocomposite film incorporating TiO₂ nanoparticles to enhance dye adsorption and photodegradation capabilities. The nanocomposites were synthesized with varying TiO₂ concentrations and thoroughly characterized using FE-SEM, XRD, DLS, UV–Vis spectroscopy, FTIR, and TGA. MB, MO, and BTB were employed as representative dye pollutants. Adsorption experiments were carried out under dark conditions, followed by photodegradation studies under sunlight irradiation. Photolysis control experiments were conducted to isolate the contribution of sunlight. Structural and spectroscopic analysis validated the successful incorporation and uniform distribution of TiO₂ within the PVA/AC matrix, along with significant interactions among the components and a decrease in the optical band gap. Kinetic analysis demonstrated that the adsorption process adhered to the pseudo-second-order model, whereas the photodegradation was consistent with the Langmuir-Hinshelwood mechanism. The nanocomposite containing 5 wt% TiO₂ exhibited outstanding results compared to the other samples, attaining removal efficiencies of 99.31 ± 1.96 % for MB, 95.84 ± 2.55 % for MO, and 86.22 ± 2.43 % for BTB, significantly surpassing the efficiency of the unmodified PVA/AC film. The nanocomposite demonstrated considerable reusability, preserving optimal efficiency for MB during five consecutive cycles. The results support the use of PVA/AC-TiO₂ nanocomposite films as efficient, sustainable materials for wastewater treatment.

本研究提出了一种可重复使用的PVA/AC纳米复合膜，其中含有TiO2纳米粒子，以提高染料的吸附和光降解能力。合成了不同TiO2浓度的纳米复合材料，并利用FE-SEM、XRD、DLS、UV-Vis光谱、FTIR和TGA对其进行了全面表征。以MB、MO和BTB为代表性染料污染物。在黑暗条件下进行吸附实验，然后在日光照射下进行光降解研究。进行了光解控制实验，以分离太阳光的贡献。结构和光谱分析验证了TiO2在PVA/AC基体内的成功掺入和均匀分布，以及组分之间的显著相互作用和光学带隙的减小。动力学分析表明，吸附过程符合拟二级模型，而光降解过程符合Langmuir-Hinshelwood机理。与其他样品相比，含有5 wt% TiO2的纳米复合材料对MB的去除率为99.31±1.96%，对MO的去除率为95.84±2.55%，对BTB的去除率为86.22±2.43%，显著优于未改性的PVA/AC膜。纳米复合材料表现出相当大的可重用性，在连续的五个循环中保持最佳的MB效率。研究结果支持PVA/AC-TiO2纳米复合膜作为高效、可持续的废水处理材料的应用。

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引用次数: 0

Bio-mediated preparation of nano TiO2: Application as photoanode in DSSCs 纳米TiO2的生物介导制备：作为光阳极在DSSCs中的应用

IF 3.4 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2025-12-23 DOI: 10.1016/j.jics.2025.102368

Sudhanshu Kumar, Aman Kumar, Anamika Chaudhary, Bhawana Tripathi, Suman Kushwaha

Green synthesis offers an eco-friendly, low-energy, and hazardous waste-free alternative by employing benign solvents and minimizing environmental impact. In this study, different concentration of Dioscorea alata juice was applied to act as natural capping and reducing agent to control growth of particles (

{TiO}_{2}

NPs) via a green synthesis route. The synthesized

{TiO}_{2}

nanoparticles (NPs) were thoroughly investigated using several possible techniques: ultraviolet–visible (UV–Vis) spectroscopy to evaluate their optical properties; X-ray diffraction (XRD) for crystallographic analysis; scanning electron microscopy (SEM) to inspect nanoparticle morphology; transmission electron microscopy (TEM) for detailed particle size and structural nature; and atomic force microscopy (AFM) to assess the surface roughness of thin films. XRD analysis suspected the formation of the anatase phase of

{TiO}_{2}

, while SEM, TEM, and AFM revealed the nanoparticle morphology. Brunauer–Emmett–Teller (BET) analysis indicates increased surface extent as well as pore size, which along with reduced particle size (10–20 nm), expanded band gap, and enhanced dye loading capacity, contributed to improved performance of DSSC. For DSSC fabrication, various concentrations of Dioscorea alata-mediated

{TiO}_{2}

nanoparticles were transformed into a white paste using surfactant (Triton X-100). The paste was coated onto conducting substrate (FTO) using the commonly used doctor blade technique and lastly annealed (for 1 h at 450 °C). The

{TiO}_{2}

thinfilm were sensitized by soaking them in N719 dye solution (24 h) under the dark condition for complete dye adsorption. The DSSC assembled with

{TiO}_{2}

synthesized from the DSSC/DA2 (50 % extract) showed

J_{S C}

of 9.88 mA/cm²,

V_{O C}

of 670 mV,

F F

of 0.67, and η = 4.40 %. The enhanced photocurrent observed in the DSSC/DA2 device can be ascribed to the increased specific surface area of the TiO₂ nanoparticles. This larger surface area enables greater dye adsorption, leading to improved light harvesting. Furthermore, the increased number of surface active sites promote more efficient photochemical reactions and facilitates better separation and transport of charge carriers, thereby minimizing recombination losses.

绿色合成提供了一种生态友好、低能耗、无危险废物的替代方法，采用良性溶剂，最大限度地减少对环境的影响。本研究采用不同浓度的薯蓣汁作为天然封顶还原剂，通过绿色合成途径控制TiO2 NPs的生长。利用几种可能的技术对合成的tio2纳米粒子（NPs）进行了全面的研究：紫外-可见（UV-Vis）光谱来评估它们的光学性质；x射线衍射（XRD）用于晶体学分析；扫描电镜（SEM）检测纳米颗粒形貌；透射电子显微镜（TEM）的详细粒度和结构性质；原子力显微镜（AFM）来评估薄膜的表面粗糙度。XRD分析推测TiO2为锐钛矿相，SEM、TEM和AFM分析显示TiO2为纳米颗粒形态。brunauer - emmet - teller （BET）分析表明，DSSC的表面面积和孔径的增加，以及粒径（10-20 nm）的减小、带隙的扩大和染料负载能力的增强，都有助于提高DSSC的性能。为了制备DSSC，使用表面活性剂（Triton X-100）将不同浓度的薯蓣介导的TiO2纳米颗粒转化为白色糊状物。使用常用的博士刀技术将膏体涂覆在导电基板（FTO）上，最后退火（在450°C下退火1小时）。将TiO2薄膜在N719染料溶液中浸泡24 h，在黑暗条件下进行敏化，使染料完全吸附。DSSC/DA2（50%萃取物）与TiO2组装后的DSSC， JSC为9.88 mA/cm2， VOC为670 mV， FF为0.67,η = 4.40%。在DSSC/DA2器件中观察到的光电流增强可归因于TiO2纳米粒子的比表面积增加。这种更大的表面积使染料吸附更大，从而改善了光收集。此外，表面活性位点数量的增加促进了更有效的光化学反应，促进了载流子更好的分离和运输，从而最大限度地减少了重组损失。

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引用次数: 0

Pebble-like porous nanostructured Fe and Ni Co-doped SrCoO3 cathodes: Structural, surface, and functional evaluation for low-temperature SOFCs 球状多孔纳米结构Fe和Ni共掺杂SrCoO3阴极：低温sofc的结构、表面和功能评价

IF 3.4 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2025-12-23 DOI: 10.1016/j.jics.2025.102363

Kaliappan Tamilselvan, Arputharaj Samson Nesaraj

A simple hydrothermal approach was employed to synthesize Fe and Ni co-doped SrCoO₃ (SrCo_1-x-yFe_xNi_yO_3-δ (SCFN); where x, y = 0.05, 0.10, 0.15, 0.20, 0.25) cathode nanocrystals for low-temperature solid oxide fuel cell (LT-SOFC) applications. The structural and compositional characteristics of the formulated nanoceramic particles were systematically examined using TGA, XRD, FTIR, EDAX, SEM, and HR-TEM. TGA corroborated the formation of the perovskite phase above 700 °C. XRD analysis verified the development of a cubic crystalline structure, while FTIR spectra confirmed metal-oxygen (M − O) bonding characteristic of the perovskite framework. EDAX and elemental mapping demonstrated that the SCFN nanoparticles exhibited the expected chemical composition, high purity, and uniform dopant distribution. SEM and HR-TEM images revealed pebble-like, porous nanosized grains, suggesting a high surface area advantageous for electrochemical activity. Impedance and dielectric studies were conducted on sintered SCFN specimens in air over a temperature varied from room temperature up to 540 °C. The electrical conductivity of the cathodes increased progressively with temperature, reaching a maximum of 0.3108 S cm⁻¹ for SCFN III at 540 °C, demonstrating an activation energy of 0.57 eV. Additionally, the dielectric constant increased with temperature across different frequency ranges, indicating enhanced polarization at elevated temperatures. These results demonstrate that Fe and Ni co-doped SrCoO₃ compositions possess excellent electrical conductivity, thermal stability, and dielectric performance, highlighting their potential as efficient cathode materials for LTSOFC applications.

采用简单的水热法合成了Fe和Ni共掺杂SrCoO3 (SrCo1-x-yFexNiyO3-δ (SCFN))；其中x， y = 0.05, 0.10, 0.15, 0.20, 0.25)阴极纳米晶体用于低温固体氧化物燃料电池（LT-SOFC）应用。采用TGA、XRD、FTIR、EDAX、SEM、HR-TEM等手段对所制备纳米陶瓷的结构和组成进行了系统表征。TGA证实钙钛矿相在700℃以上形成。XRD分析证实了立方晶体结构的形成，FTIR光谱证实了钙钛矿框架的金属-氧（M−O）键合特性。EDAX和元素映射表明，SCFN纳米颗粒具有预期的化学成分、高纯度和均匀的掺杂分布。SEM和HR-TEM图像显示卵石状多孔纳米颗粒，表明高表面积有利于电化学活性。阻抗和介电研究进行了烧结的SCFN样品在空气中的温度变化从室温到540°C。阴极的电导率随温度升高而逐渐增加，SCFN III在540℃时达到最大值0.3108 S cm−1，活化能为0.57 eV。此外，在不同频率范围内，介电常数随温度升高而增加，表明温度升高时极化增强。这些结果表明，Fe和Ni共掺杂的SrCoO3组合物具有优异的导电性、热稳定性和介电性能，突出了它们作为LTSOFC高效正极材料的潜力。

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引用次数: 0

Pechini derived novel nanocomposites for efficient and reusable crystal violet dye remediation Pechini衍生的新型纳米复合材料用于高效和可重复使用的结晶紫染料修复

IF 3.4 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2025-12-22 DOI: 10.1016/j.jics.2025.102373

Asma S. Al-Wasidi , Ehab A. Abdelrahman

Crystal violet is extensively applied in industrial and biomedical applications but poses serious risks to humans and ecosystems due to its cytotoxic, mutagenic, and carcinogenic effects as well as its persistence in aquatic environments. To address this challenge, BaAl₂O₄/MgO/BaCO₃ nanocomposites were synthesized via a facile Pechini sol–gel process at 500 °C (MBA500) as well as 700 °C (MBA700) for the effective remediation of crystal violet dye pollutant from aqueous solutions. X-ray diffraction (XRD) confirmed the average crystallite sizes of 55.8 nm for MBA500 and 68.3 nm for MBA700, demonstrating grain growth at higher temperature. Energy-dispersive X-ray spectroscopy (EDS) showed compositional differences, with MBA700 displaying higher oxygen and barium contents and reduced magnesium due to enhanced crystallization and partial decarbonation. Field-emission scanning electron microscopy (FE-SEM) demonstrated predominantly spherical grains with average grain sizes of 77.4 nm for MBA500 and 88.4 nm for MBA700, while high-resolution transmission electron microscopy (HR-TEM) proved near-spherical particles with average diameters of 19.2 nm and 57.6 nm, respectively. Notably, the MBA500 sample demonstrated a higher maximum adsorption capacity (377.36 mg/g) than MBA700 (303.03 mg/g), confirming that the lower calcination temperature produced a more efficient adsorbent. Thermodynamic analysis established that the adsorption is spontaneous, exothermic, and dominated by physical interactions. Kinetic modeling confirmed strong agreement with the pseudo-first-order model, while equilibrium results matched perfectly with the Langmuir isotherm, proposing monolayer adsorption on homogeneous active positions. Furthermore, both nanocomposites retained prolonged reusability over multiple regeneration cycles utilizing 2 M HCl as eluent, confirming their excellent reusability.

结晶紫广泛应用于工业和生物医学领域，但由于其细胞毒性、诱变性和致癌性以及在水生环境中的持久性，对人类和生态系统构成严重风险。为了解决这一问题，采用简便的Pechini溶胶-凝胶法在500℃（MBA500）和700℃（MBA700）下合成了BaAl2O4/MgO/BaCO3纳米复合材料，以有效地修复水溶液中的结晶紫染料污染物。x射线衍射（XRD）证实MBA500的平均晶粒尺寸为55.8 nm， MBA700的平均晶粒尺寸为68.3 nm，表明晶粒在高温下生长。能量色散x射线能谱分析（EDS）显示了MBA700的成分差异，由于结晶和部分脱碳增强，MBA700的氧和钡含量较高，镁含量降低。场发射扫描电镜（FE-SEM）显示，MBA500和MBA700的平均晶粒尺寸分别为77.4 nm和88.4 nm，而高分辨率透射电镜（HR-TEM）显示，MBA500和MBA700的平均晶粒尺寸分别为19.2 nm和57.6 nm。值得注意的是，MBA500样品的最大吸附量（377.36 mg/g）高于MBA700 (303.03 mg/g)，证实了较低的煅烧温度产生了更有效的吸附剂。热力学分析表明，吸附是自发的，放热的，主要是物理相互作用。动力学模型与拟一阶模型吻合较好，而平衡结果与Langmuir等温线吻合较好，表明在均相活性位置上存在单层吸附。此外，两种纳米复合材料在使用2m盐酸作为洗脱液的多次再生循环中都保持了较长的可重复使用性，证实了它们具有良好的可重复使用性。

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引用次数: 0

Development of a novel all-solid-state PVC-membrane potentiometric microsensor for the determination of ketotifen 新型全固态pvc膜电位微传感器测定酮替芬的研制

IF 3.4 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2025-12-22 DOI: 10.1016/j.jics.2025.102364

Nurşen Dere , Murat Yolcu

In this study, a new all-solid-state polyvinylchloride (PVC)-membrane ketotifen (KTF)-selective potentiometric microsensor was developed. Ketotifen-tetraphenylborate (KTF-TPB) ion-pair was synthesized as ionophore substances in the PVC-membrane structure of the microsensor. The microsensor exhibited a Nernstian response with a slope of 59.3 ± 0.7 mV/decade (R² = 0.9998) across a wide concentration range of 10⁻⁶ to 10⁻² mol L⁻¹ for ketotifen fumarate. The detection limit was determined to be 5.25 × 10⁻⁷ mol L⁻¹, confirming that reliable measurements can be made even at low concentrations. The sensor's fast response time (≤10 s) and long-term stability (up to 7 weeks) were observed, demonstrating its suitability for practical use in routine analyses. Furthermore, the microsensor's optimum performance over the pH range of 4.0–8.0 and the temperature range of 15–50 °C demonstrates its stability over a wide range of operating conditions. The developed microsensor was successfully applied for the potentiometric determination of ketotifen in pharmaceutical formulations, offering a reliable alternative for analytical applications.

本研究研制了一种新型全固态聚氯乙烯（PVC）膜酮芬（KTF）选择性电位微传感器。在微传感器的pvc膜结构中合成了KTF-TPB离子对作为离子载体物质。在富马酸酮替芬10−6 ~ 10−2 mol L−1的浓度范围内，微传感器的响应斜率为59.3±0.7 mV/ 10年（R2 = 0.9998）。检测限为5.25 × 10−7 mol L−1，证实了即使在低浓度下也可以进行可靠的测量。观察到该传感器的快速响应时间（≤10 s）和长期稳定性（长达7周），证明其适合在常规分析中实际使用。此外，微传感器在pH范围4.0-8.0和温度范围15-50°C内的最佳性能表明其在广泛的工作条件下的稳定性。该微传感器已成功应用于药物制剂中酮替芬的电位测定，为分析应用提供了可靠的替代方法。

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引用次数: 0

First-principles investigation of halogen doping effects on the structural, electronic, and optical properties of diisopropylammonium bromide 卤素掺杂对二异丙基溴化铵结构、电子和光学性质影响的第一性原理研究

IF 3.4 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2025-12-22 DOI: 10.1016/j.jics.2025.102367

Ekramul Kabir , Mamataj Khatun

This study presents a comprehensive first-principles investigation, grounded in density functional theory, to elucidate the influence of halogen doping (Cl, F, and I) on the structural, electronic, and optical properties of the organic ferroelectric crystal diisopropylammonium bromide. The optimized structural parameters reveal that substitutional doping introduces significant lattice distortions, influencing both the unit cell volume and bond angles. Analysis of the electronic structure shows that halogen doping modulates the band gap: F-doping leads to a pronounced widening, enhancing insulating behavior, whereas I-doping causes a narrowing of the band gap, suggesting potential for semiconducting applications. Calculations of optical properties demonstrate improved tunability in the UV–visible range, particularly in F and I doped systems, indicating promising prospects for nonlinear optical and optoelectronic device applications. The frontier molecular orbital (HOMO–LUMO) distribution shifts with doping, reflecting altered charge transfer characteristics. These findings provide valuable insights into molecular engineering strategies for organic ferroelectric crystals through atomic-scale modifications.

本研究以密度泛函理论为基础，进行了全面的第一性原理研究，阐明了卤素掺杂（Cl、F和I）对有机铁电晶体二异丙基溴化铵的结构、电子和光学性质的影响。优化后的结构参数表明，取代掺杂引入了明显的晶格畸变，影响了单元胞体积和键角。电子结构分析表明，卤素掺杂调节了带隙：f掺杂导致带隙明显扩大，增强了绝缘性能，而i掺杂导致带隙缩小，这表明了半导体应用的潜力。光学性质的计算表明，在紫外可见范围内，特别是在F和I掺杂系统中，可调性得到改善，这表明非线性光学和光电子器件的应用前景广阔。前沿分子轨道（HOMO-LUMO）分布随掺杂而改变，反映了电荷转移特性的改变。这些发现为通过原子尺度修饰有机铁电晶体的分子工程策略提供了有价值的见解。

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引用次数: 0

Efficient basic red 46 dye removal using smart novel nanocomposite 新型纳米复合材料高效脱除碱性红46染料

IF 3.4 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2025-12-22 DOI: 10.1016/j.jics.2025.102369

Nada S. Al-Kadhi , Ehab A. Abdelrahman , Reem K. Shah

Basic red 46 dye, extensively utilized in the textile industry, poses significant environmental and health threats owing to its high chemical stability, persistence, and toxicity. In this study, novel MgAl_0.42Cr_1.58O₄@C nanocomposites were fabricated via a facile Pechini sol-gel approach at calcination temperatures of 600 and 800 °C, producing MAC600 and MAC800, respectively, to achieve effective elimination of basic red 46 dye from aquatic solutions. X-ray diffraction analysis (XRD) illustrated the occurrence of a cubic crystal arrangement, presenting mean crystallite sizes of 12.5 nm concerning MAC600 and 32.3 nm concerning MAC800, reflecting enhanced crystal growth at higher calcination temperature. Energy-dispersive X-ray spectroscopy (EDX) revealed that MAC600 contained 9.2 % C, 51.4 % O, 15.3 % Mg, 10.6 % Al, and 13.5 % Cr, while MAC800 exhibited slightly higher metal content due to more complete decomposition of organics. Field emission scanning electron microscopy (FE-SEM) images showed that MAC600 had a porous morphology with spherical voids, whereas MAC800 presented denser agglomerates with reduced porosity. High-resolution transmission electron microscope (HR-TEM) images confirmed well-dispersed spherical nanoparticles demonstrating average diameters of 6.25 nm regarding MAC600 and 25.94 nm regarding MAC800. The highest sorption capabilities obtained were 432.90 mg/g concerning MAC600 and 276.24 mg/g concerning MAC800, outperforming other adsorbents reported in the literature. Thermodynamic studies confirmed the exothermic, spontaneous, and physisorptive nature of the adsorption, while kinetic and isotherm modeling showed that adsorption adhered to the pseudo-first-order model and fit well with the Langmuir isotherm. The nanocomposites also demonstrated excellent regeneration and reusability, retaining high adsorption efficiency over multiple adsorption–desorption cycles.

碱性红46染料广泛用于纺织工业，由于其高化学稳定性、持久性和毒性，对环境和健康构成重大威胁。在本研究中，通过简便的Pechini溶胶-凝胶法在600℃和800℃的煅烧温度下制备了新型MgAl0.42Cr1.58O4@C纳米复合材料，分别产生了MAC600和MAC800，以有效消除水中的碱性红46染料。x射线衍射分析（XRD）表明，MAC600的平均晶粒尺寸为12.5 nm， MAC800的平均晶粒尺寸为32.3 nm，表明在较高的煅烧温度下晶体生长增强。能量色散x射线光谱（EDX）显示，MAC600的C含量为9.2%，O含量为51.4%，Mg含量为15.3%，Al含量为10.6%，Cr含量为13.5%，而MAC800由于有机物分解更彻底，金属含量略高。场发射扫描电镜（FE-SEM）图像显示，MAC600具有球形孔洞的多孔形态，而MAC800则呈现致密的团聚体，孔隙率降低。高分辨率透射电子显微镜（HR-TEM）图像证实了分散良好的球形纳米颗粒，表明MAC600的平均直径为6.25 nm， MAC800的平均直径为25.94 nm。MAC600的最高吸附能力为432.90 mg/g， MAC800的最高吸附能力为276.24 mg/g，优于文献中报道的其他吸附剂。热力学研究证实了吸附的放热、自发和物理吸附性质，动力学和等温线模型表明吸附符合拟一阶模型，符合Langmuir等温线。纳米复合材料还表现出良好的再生和可重复使用性，在多次吸附-脱附循环中保持较高的吸附效率。

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引用次数: 0

Two-component organogel from halogenated peptide: A robust matrix for gel phase colorimetric cyanide sensing 卤化肽的双组分有机凝胶：凝胶相比色氰化物传感的坚固基质

IF 3.4 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2025-12-21 DOI: 10.1016/j.jics.2025.102371

Suman Kumar Maity , Rajasekar P

Two-component organogel was achieved from dipeptides containing non-proteinogenic p-amino benzoic acid (Paba) and 2-aminoisobutyric acid (Aib). Boc-Paba-Aib-OMe formed weak organogel alone, however, formed stable two-component organogel with Boc-Paba(Br)-Aib-OH in 1:1 M ratio. FE-SEM revealed microcrystalline structures from Boc-Paba-Aib-OMe, however, mature long entangled nanofibers were obtained from two component xerogel. No other peptide and peptide combinations, from the pool of six peptides, resulted any gelation indicating unique molecular recognition. X-ray crystallography of Boc-Paba-Aib-OMe revealed hydrogen bonded two-dimensional sheet like structure. The two-component gel served as a robust matrix for trapping a chemo-dosimeter, affording simple colorimetric cyanide sensing in gel state.

以含有非蛋白源性对氨基苯甲酸（Paba）和2-氨基异丁酸（Aib）的二肽为原料制备双组分有机凝胶。Boc-Paba- aib - ome单独形成弱有机凝胶，而与Boc-Paba(Br)-Aib-OH以1:1的M比形成稳定的双组分有机凝胶。FE-SEM显示了Boc-Paba-Aib-OMe的微晶结构，而双组分干凝胶则获得了成熟的长纠缠纳米纤维。没有其他肽和肽组合，从六个肽池中，产生任何凝胶表明独特的分子识别。Boc-Paba-Aib-OMe的x射线晶体形貌显示出二维氢键片状结构。双组分凝胶作为捕获化学剂量计的坚固基质，在凝胶状态下提供简单的比色氰化物传感。

引用次数: 0

One-pot synthesis of ZnO–Bi2S3 heterojunction for organic pollutant elimination under visible light irradiation 可见光下一锅法合成ZnO-Bi2S3异质结去除有机污染物

IF 3.4 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2025-12-18 DOI: 10.1016/j.jics.2025.102357

Mano Ganapathy , Subramanian Sakthinathan , Chang-Tang Chang , Viswanathan Alagan

ZnO–Bi₂S₃ heterojunction was prepared using different molar concentrations of Bi₂S₃ (0.5, 1.0, and 1.5 M) by microwave irradiation method to enhance the photocatalytic activity under visible light irradiation. XRD analysis confirms that ZnO and Bi₂S₃ exhibit in hexagonal (wurtzite) and orthorhombic phases, respectively. SEM analysis revealed the morphological variations due to the variations of Bi₂S₃ molar concentrations. ZnO–Bi₂S₃ (1.0 M) heterojunction exhibited nano-fence-like morphology. The EDS analysis confirms the presence of Zn, O, Bi, and S elements. Further, the confirmation of ZnO–Bi₂S₃ heterojunction formation was analyzed via FEG-TEM and XPS results. The UV–visible diffuse reflectance spectrum and PL results revealed that the increasing Bi₂S₃ ratio in the ZnO–Bi₂S₃ heterojunction could improve the visible light response and suppress the rate of exciton recombination, respectively. EIS results show that the ZnO–Bi₂S₃ (1.0 M) exhibited the lowest electron transfer resistance among the other samples. The ZnO–Bi₂S₃(1.0 M) provides efficient aniline degradation under solar light irradiation due to the efficient visible light absorptions and lower photo-generated charge carrier recombination. In addition, ZnO–Bi₂S₃ heterojunction exhibited good stability in organic pollutants degradation up to 5 cycles.

采用微波辐照法制备不同摩尔浓度Bi2S3（0.5、1.0、1.5 M）的ZnO-Bi2S3异质结，增强其在可见光下的光催化活性。XRD分析证实ZnO和Bi2S3分别表现为六方（纤锌矿）相和正交相。SEM分析揭示了Bi2S3摩尔浓度变化导致的形态变化。ZnO-Bi2S3 （1.0 M）异质结呈现纳米栅栏状形貌。EDS分析证实了Zn、O、Bi和S元素的存在。通过FEG-TEM和XPS分析ZnO-Bi2S3异质结的形成。紫外-可见漫反射光谱和PL结果表明，增加ZnO-Bi2S3异质结中Bi2S3的比例可以提高ZnO-Bi2S3的可见光响应，抑制激子复合的速率。EIS结果表明，ZnO-Bi2S3 （1.0 M）样品的电子转移电阻最低。ZnO-Bi2S3 （1.0 M）在太阳光照射下具有高效的苯胺降解性能，这是由于它具有高效的可见光吸收和光生电荷载流子重组。此外，ZnO-Bi2S3异质结对有机污染物的降解稳定性达到5次循环。

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