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

Voltammetric and electro-kinetic assessment of prucalopride at MnO2-rGO fabricated pencil graphite electrode 在 MnO2-rGO 制成的铅笔石墨电极上对普鲁卡必利进行伏安和电动力学评估

IF 3.2 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2024-10-02 DOI: 10.1016/j.jics.2024.101405

Rajesh Yadav , Deependra Jhankal , Rinky Agarwal , Rajkumar Sharma , K.K. Jhankal

Development and design of rGO-based nanocomposite-modified carbon-based electrodes are necessary to enhance the selectivity and desired selectivity of the voltammetric sensors. In this work, a manganese dioxide-reduced graphene oxide (MnO₂-rGO) fabricated pencil graphite electrode is described for the detection of prucalopride (PRU), which is used to treat chronic idiopathic constipation. A simple cost effective hydrothermal method was used to synthesize the needle-shaped MnO₂. The MnO₂-rGO nanocomposite was characterized using XRD, SEM, and FTIR spectroscopy to examine its microstructure and morphology. The results revealed that MnO₂ needles are distributed on the flakes of the rGO, thereby enhancing the electro-catalytic activity of MnO₂-rGO/PGE. The electrochemical performance of the developed MnO₂-rGO/PGE was examined using CV, chronocoulometry, SWSV, and DPSV methods. The diffusion-controlled oxidation of the PRU at the MnO₂-rGO/PGE produces an irreversible peak in all the voltammograms which were used to calculate several electro-kinetic parameters like electron transfer coefficient (α = 0.598), diffusion coefficient (D_o = 1.62 × 10⁻⁵ cm²s⁻¹), surface coverage (Γ^o = 1.55 × 10⁻⁹ molcm⁻²), and effective surface area. Furthermore, advanced SWSV and DPSV methods are proposed for the accurate, selective, and sensitive detection of the PRU in pharmaceutical samples. The reported values of detection limit (LOD) for the proposed SWSV and DPSV methods are 20.39 μM and 14.53 μM, respectively, which make them eco-friendly and affordable alternative tools for the quantification of the PRU in pharmaceutical samples.

开发和设计基于 rGO 的纳米复合材料改性碳基电极对于提高伏安传感器的选择性和预期选择性非常必要。在这项工作中，描述了一种二氧化锰还原氧化石墨烯（MnO2-rGO）制备的铅笔石墨电极，用于检测普鲁卡必利（PRU），普鲁卡必利用于治疗慢性特发性便秘。该研究采用了一种成本低廉的水热法合成针状二氧化锰。利用 XRD、SEM 和傅立叶变换红外光谱对 MnO2-rGO 纳米复合材料的微观结构和形态进行了表征。结果表明，MnO2 针分布在 rGO 的薄片上，从而提高了 MnO2-rGO/PGE 的电催化活性。研究人员采用 CV 法、计时器法、SWSV 法和 DPSV 法检测了所开发的 MnO2-rGO/PGE 的电化学性能。PRU 在 MnO2-rGO/PGE 上的扩散控制氧化作用在所有伏安图中都产生了不可逆峰，这些不可逆峰被用来计算多个电动力学参数，如电子转移系数（α = 0.598）、扩散系数（Do = 1.62 × 10-5 cm2s-1）、表面覆盖率（Γo = 1.55 × 10-9 molcm-2）和有效表面积。此外，还提出了先进的 SWSV 和 DPSV 方法，用于准确、选择性和灵敏地检测药物样品中的 PRU。所提出的 SWSV 和 DPSV 方法的检测限 (LOD) 值分别为 20.39 μM 和 14.53 μM，这使它们成为药物样品中 PRU 定量的环保且经济实惠的替代工具。

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引用次数: 0

Multifaceted insights into Cu(II) complexes with bis(benzimidazole) ligands: Structural investigation, theoretical studies, cytotoxicity evaluation, and antioxidant summarizing 双（苯并咪唑）配体 Cu（II）配合物的多方面见解：结构调查、理论研究、细胞毒性评估和抗氧化总结

IF 3.2 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2024-10-02 DOI: 10.1016/j.jics.2024.101410

Bharathi Dileepan A.G. , Rohith Ramasamy , Jeyaram S. , Natarajan Arumugam , Abdulrahman I. Almansour

In this study, the synthesized two new ligands, namely bis(1H-benzo[d]imidazole-1-yl) methane [L1] and 1,2-bis(1H-benzo[d]imidazole-1-yl) ethane [L2], from benzimidazole. They chose 1,2-dibromomethane and 1,2-dibromoethane as they are widely used in environmental catalysis and as ligands in conjugated configurations. The researchers were able to synthesize the Cu(II) complexes, [Cu(L1)₂]Cl₂ or [1] and [Cu(L2)₂]Cl₂ or [2], at room temperature. They used several analytical techniques, including elemental analysis, magnetic moment measurement, UV–visible spectroscopy, FT-IR spectroscopy, FT-Raman spectroscopy, NMR spectroscopy (including ¹H, ¹³C, DEPT-135, HSQC, and HMBC techniques), ESI-MS analysis, thermogravimetric analysis, and ESR spectroscopy, to characterize the synthesized compounds. They found that the ESR spectra of complexes [1] and [2] suggest that both metal complexes have square planar coordination spheres. In the DFT study of the geometrical optimization of both complexes, the central plane consists of the Cu metal atom connected to four nitrogen atoms. The Cu–N bond lengths are measured at 2.194 Å for [1] and 2.176 Å for [2] whereas the FMO theory's slight reduction in the HOMO-LUMO gap for [2] suggests that it is more reactive and less stable compared to [1]. In addition, the researchers tested the effect of these compounds on human cervical cancer cell lines (HeLa) which showed significant cytotoxic effects under laboratory conditions. Complex [2] had a significant inhibitory impact on the growth of cancer cells. The researchers also assessed the antioxidant effects of the ligands and metal complexes using DPPH, OH, and NO assays and found that [2] had the most potent inhibitory effect on the radicals, with IC₅₀ values of 36.11 μM (DPPH), 28.18 μM (OH), and 26.20 μM (NO).

在这项研究中，他们从苯并咪唑中合成了两种新配体，即双（1H-苯并[d]咪唑-1-基）甲烷[L1]和 1,2-双（1H-苯并[d]咪唑-1-基）乙烷[L2]。他们之所以选择 1,2- 二溴甲烷和 1,2- 二溴乙烷，是因为它们被广泛用于环境催化和共轭构型中的配体。研究人员能够在室温下合成 Cu(II) 复合物 [Cu(L1)2]Cl2 或 [1] 和 [Cu(L2)2]Cl2 或 [2]。他们采用了多种分析技术，包括元素分析、磁矩测量、紫外-可见光谱、傅立叶变换红外光谱、傅立叶变换-拉曼光谱、核磁共振光谱（包括 1H、13C、DEPT-135、HSQC 和 HMBC 技术）、ESI-MS 分析、热重分析和 ESR 光谱，对合成的化合物进行了表征。他们发现[1]和[2]复合物的 ESR 光谱表明这两种金属复合物都具有方形平面配位球。在对这两种配合物进行几何优化的 DFT 研究中，中心平面由连接四个氮原子的铜金属原子组成。根据测量，[1] 的 Cu-N 键长度为 2.194 Å，[2] 的 Cu-N 键长度为 2.176 Å，而根据 FMO 理论，[2] 的 HOMO-LUMO 间隙略有减小，这表明与[1] 相比，[2] 的反应性更强，稳定性更差。此外，研究人员还测试了这些化合物对人类宫颈癌细胞株（HeLa）的影响，结果显示，在实验室条件下，这些化合物具有显著的细胞毒性作用。复合物 [2] 对癌细胞的生长有明显的抑制作用。研究人员还利用 DPPH、OH 和 NO 试验评估了配体和金属复合物的抗氧化作用，结果发现 [2] 对自由基的抑制作用最强，其 IC50 值分别为 36.11 μM（DPPH）、28.18 μM（OH）和 26.20 μM（NO）。

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引用次数: 0

Improved electrochemical performance of the iron-doped NiO nanoparticles at varying calcination temperatures and examination of their supercapacitor applications 掺铁氧化镍纳米粒子在不同煅烧温度下的电化学性能改进及其超级电容器应用研究

IF 3.2 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2024-10-02 DOI: 10.1016/j.jics.2024.101398

T. Gayathri , B. Kavitha , M. Nirmala , Nazir Ahmad Mala

The scientific community is interested in increasing oxide electrochemical characteristics for supercapacitor applications. The present research explores the development of supercapacitor electrodes using Fe-doped NiO nanoparticles synthesised via chemical co-precipitation method with varied calcination temperatures (350, 550, and 750 °C). The key innovation of the work lies in the systematic investigation of the effects of calcination temperature on the electrochemical properties and structural characteristics of the Fe-doped NiO nanoparticles. X-ray diffraction (XRD) analysis revealed a trend of increasing crystallite size with rising temperatures, and optical studies indicated a decreasing trend in the energy band gap from 3.67 eV to 3.23 eV. Fourier transform infrared (FTIR) spectroscopy confirmed the metal-oxygen bond in the molecules. Scanning electron microscopy (SEM) and High-Resolution Transmission Electron Microscopy (HR-TEM) analysis showed the mesoporous spherical morphology of the nanoparticles. Energy-dispersive X-ray spectroscopy (EDX) ensured the samples' elemental composition purity. Brunauer–Emmett–Teller (BET) shows a specific surface area of around 180.8 m²/g was obtained for Fe-doped NiO nanoparticles at 350 °C. Electrochemical tests demonstrated that the Fe-doped NiO electrodes, especially calcined at 350 °C, exhibit superior specific capacitance values (635 F/g) and impressive cycle stability with 93.29 % capacitance retention after 5000 cycles. The present demonstrates the potential of optimizing calcination temperatures to enhance the electrochemical performance and stability of Fe-doped NiO supercapacitor electrodes, marking a significant advancement in supercapacitor technology.

科学界对提高超级电容器应用的氧化物电化学特性很感兴趣。本研究利用化学共沉淀法合成的掺铁氧化镍纳米粒子，在不同的煅烧温度（350、550 和 750 °C）下，探索超级电容器电极的开发。这项工作的主要创新点在于系统地研究了煅烧温度对掺铁氧化镍纳米粒子的电化学特性和结构特征的影响。X 射线衍射（XRD）分析表明，随着温度的升高，晶体尺寸呈增大趋势；光学研究表明，能带隙呈下降趋势，从 3.67 eV 降至 3.23 eV。傅立叶变换红外光谱（FTIR）证实了分子中的金属氧键。扫描电子显微镜（SEM）和高分辨率透射电子显微镜（HR-TEM）分析表明了纳米颗粒的介孔球形形态。能量色散 X 射线光谱（EDX）确保了样品元素组成的纯度。Brunauer-Emmett-Teller (BET) 分析表明，掺铁的氧化镍纳米粒子在 350 °C 时的比表面积约为 180.8 m2/g。电化学测试表明，掺杂铁的氧化镍电极，尤其是在 350 °C 煅烧的电极，显示出卓越的比电容值（635 F/g）和令人印象深刻的循环稳定性，5000 次循环后电容保持率为 93.29%。本研究表明，优化煅烧温度可提高掺铁氧化镍超级电容器电极的电化学性能和稳定性，标志着超级电容器技术的重大进步。

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引用次数: 0

Bioremediation of textile wastewater using Bacillus cereus isolated from refinery site: Comparative analysis of free and immobilized cells systems 利用从炼油厂分离的蜡样芽孢杆菌对纺织废水进行生物修复：游离和固定细胞系统的比较分析

IF 3.2 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2024-10-02 DOI: 10.1016/j.jics.2024.101406

Ganesh Swain , Yash Srivastava , Tapas Das , Ravi Kumar

The textile industries consume a considerable amount of freshwater and discharge untreated or semi-treated pollutants to the environment. Azo dyes, generally employed in textile manufacturing industries, have a hazardous impact on the ecosystem. Incomplete treatment of wastewater containing azo dyes discharges into the aquatic system, which has recalcitrant and toxic properties. Hence, the need for cost-effective and high-performing technologies is essential. In this direction, bacterial degradation is considered an economically viable and efficient technique for the treatment of Active blue (AB) dye. Polyurethane foam (PUF) is a low-cost and hydrophilic material with a microporous structure, which offers an excellent surface-to-volume ratio. Hence, PUF was preferred for the immobilization of isolated bacterial species. For this, a dye-degrading gram-positive bacteria namely Bacillus cereus GS2 IIT (BHU) was isolated from the petroleum sludge. A comparative analysis between free and immobilized cell systems was carried out by varying the process parameters, i.e., batch time, pH, temperature, glucose concentration, and initial AB dye concentration. The corresponding optimum conditions were found to be 6.0 days, 6.5, 30 °C, 1.0 g/L, and 50 mg/L, respectively. The immobilized cell system exceeds the dye removal efficiency (RE) by 10. 7 % compared to the free cell system. The packed bed bioreactor could be able to deliver 98.56 % of dye removal at an inlet loading rate of 30 mg/L d and 50 mg/L of initial dye concentration.

纺织工业消耗大量淡水，并向环境排放未经处理或半处理的污染物。纺织制造业通常使用的偶氮染料会对生态系统造成危害。含有偶氮染料的废水未经完全处理就排入水生系统，具有难降解性和毒性。因此，必须采用具有成本效益和高性能的技术。在这方面，细菌降解被认为是处理活性蓝（AB）染料的一种经济可行的高效技术。聚氨酯泡沫（PUF）是一种具有微孔结构的低成本亲水性材料，具有出色的表面体积比。因此，聚氨酯泡沫是固定分离细菌的首选材料。为此，我们从石油污泥中分离出了一种降解染料的革兰氏阳性细菌，即蜡样芽孢杆菌 GS2 IIT (BHU)。通过改变工艺参数，即间歇时间、pH 值、温度、葡萄糖浓度和初始 AB 染料浓度，对自由细胞系统和固定化细胞系统进行了比较分析。发现相应的最佳条件分别为 6.0 天、6.5、30 °C、1.0 克/升和 50 毫克/升。固定化细胞系统的染料去除率（RE）比游离细胞系统高出 10.7 %。在入口负载率为 30 mg/L d 和初始染料浓度为 50 mg/L 时，填料床生物反应器的染料去除率可达 98.56%。

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引用次数: 0

Development, characterization and themo-physical analysis of energy storage material doped with TiO2 and CuO nano-additives 掺杂 TiO2 和 CuO 纳米添加剂的储能材料的开发、表征和物理分析

IF 3.2 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2024-10-01 DOI: 10.1016/j.jics.2024.101400

Varun Kumar Singh, Devesh Kumar

The paper presents the results of an experimental investigation on chemical stability, surface morphology, and thermo-physical properties of phase change material integrated with nano additives. The research aims to evaluate impact of varying nano-particle concentration on thermal performance of phase change material. The phase change material magnesium dichloride hexahydrate and potassium chloride mixed in different mass ratio along with different wt% concentration of nano-additives titanium dioxide and copper oxide to prepare novel phase change material. Characterization methods such as Fourier Transform Infrared Spectroscopy, Scanning electron microscope, Energy-dispersive X-ray analysis, and Differential scanning calorimeter analysis were employed. The Fourier transform infrared spectra indicated physical interactions between phase change material and nano-additives, while Energy-dispersive X-ray analysis confirmed elemental composition, and Scanning electron microscope demonstrated uniform distribution. The improved thermal properties of samples were reflected in their phase change enthalpy (284.57 J/g to 324.63 J/g), minimal energy loss (0.91 %–2.96 %), and low supercooling (0.3 %–5.26 %). Notably, doping with 1.5 wt% of titanium dioxide and copper oxide enhanced thermal conductivity by up to 117.07 % and specific heat capacity by up to 48.09 %. The introduction of nanoparticles significantly improves heat transfer characteristics, resulting in enhanced energy retention, reduced energy loss during phase transitions, decreased supercooling, and increased physical stability. These results suggest that optimized phase change material with nano-additives is highly effective for applications requiring stable and efficient thermal management.

本文介绍了对加入纳米添加剂的相变材料的化学稳定性、表面形态和热物理性能的实验研究结果。研究旨在评估不同纳米颗粒浓度对相变材料热性能的影响。将相变材料六水二氯化镁和氯化钾以不同的质量比与不同重量百分比浓度的纳米添加剂二氧化钛和氧化铜混合，制备新型相变材料。表征方法包括傅立叶变换红外光谱、扫描电子显微镜、能量色散 X 射线分析和差示扫描量热仪分析。傅立叶变换红外光谱显示了相变材料与纳米添加剂之间的物理相互作用，能量色散 X 射线分析确认了元素组成，扫描电子显微镜显示了均匀分布。样品热性能的改善体现在其相变焓（284.57 J/g 至 324.63 J/g）、最小的能量损失（0.91 %-2.96 %）和较低的过冷度（0.3 %-5.26 %）。值得注意的是，掺入 1.5 wt% 的二氧化钛和氧化铜后，热导率提高了 117.07 %，比热容提高了 48.09 %。纳米粒子的引入显著改善了传热特性，从而增强了能量保持能力，减少了相变过程中的能量损失，降低了过冷度，并提高了物理稳定性。这些结果表明，含有纳米添加剂的优化相变材料对于需要稳定高效热管理的应用非常有效。

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引用次数: 0

Indole analogs as potential anti-breast cancer agents: Design, synthesis, in-vitro bioevaluation with DFT, molecular docking and ADMET studies 作为潜在抗乳腺癌药物的吲哚类似物：设计、合成、使用 DFT 进行体外生物评估、分子对接和 ADMET 研究

IF 3.2 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2024-10-01 DOI: 10.1016/j.jics.2024.101404

Renu Gavadia , Jyoti Rasgania , Neetu Sahu , Surendra Nimesh , Lacy Loveleen , Satbir Mor , Devender Singh , Komal Jakhar

Being a belligerent malignancy, triple-negative breast cancer poses unmet clinical challenges due to lack of targeted therapy, rapid growth rate and metastasis, high heterogeneity, and increased risk of recurrence. Diverse 1-(1H-indol-1-yl)-2-((5-aryl-4H-1,2,4-triazol-3-yl)thio))ethanones have been synthesized in substantial yield (81-87 %) by clubbing 1-(chloroacetyl)indoles with substituted triazoles under refluxing conditions of 4-5 h. The indole integrates demonstrated substantial antitumor efficacy in the MTT assay against the MDA-MB-231 cell line and substituting indole moiety with a halogen (bromo) significantly improves the anti-breast cancer action of the synthesized hybrids compared to the unsubstituted ring. Compound 4i featuring halogen substituent on both the indole and phenyl moieties displayed the highest anticancer action with an IC₅₀ value of 2.121 μM The synthetic variants exhibited a notable binding propensity against the EGFR-TK receptor (PDB ID:1M17). Through in-silico ADMET screening, the pharmacological proclivity of the title compounds has been convicted. The notable bioactivity of the indole hybrids projects them as a potential lead in developing anti-breast cancer medications, especially against TNBC.

三阴性乳腺癌是一种好战的恶性肿瘤，由于缺乏靶向治疗、生长速度快、转移率高、异质性强以及复发风险增加等原因，给临床治疗带来了挑战。通过将 1-(氯乙酰基)吲哚与取代的三唑在 4-5 小时的回流条件下混合，合成了多种 1-(1H-吲哚-1-基)-2-((5-芳基-4H-1,2,4-三唑-3-基)硫))乙酮，收率高达 81-87%。与未取代的环相比，用卤素（溴）取代吲哚分子可显著提高合成杂环的抗乳腺癌作用。在吲哚和苯基上都具有卤素取代基的化合物 4i 显示出最高的抗癌作用，其 IC50 值为 2.121 μM 合成变体对表皮生长因子受体-TK 受体（PDB ID:1M17）具有明显的结合倾向。通过分子内 ADMET 筛选，标题化合物的药理倾向性得到了证实。吲哚类杂交化合物显著的生物活性使其成为开发抗乳腺癌药物（尤其是 TNBC）的潜在先导化合物。

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引用次数: 0

Development of multi-herbal formulation with enhanced antimicrobial, antioxidant, cytotoxic, and antiaging properties 开发具有更强抗菌、抗氧化、细胞毒性和抗衰老特性的多种草药配方

IF 3.2 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2024-09-30 DOI: 10.1016/j.jics.2024.101402

Rex Jeya Rajkumar Samdavid Thanapaul , Chandresh Kumar Nambur , Kalaiarasi Giriraj

We developed a multi-herbal formulation (MCCSSTAMP) containing Mentha piperita, Allium sativum, Syzygium aromaticum, Curcuma longa, Syzygium cumini, Trigonella foenum-graecum, Coriandrum sativum, Murraya koenigii and Piper nigrum which was found to be versatile for the development of novel medicines and cosmetic products. The formulation was prepared using a hydro-alcoholic base and its phytochemical composition was analyzed. The initial phytochemical analysis revealed that MCCSSTAMP contained various phytochemicals, with the highest concentrations of phenolic content. The antimicrobial, anti-oxidant, cytotoxic, and anti-aging properties of the MCCSSTAMP were explored. The formulation showed potent anti-microbial efficacy against various microorganisms, including antibiotic-resistant strains. MCCSSTAMP also demonstrated potent anti-oxidant activity, effectively scavenging free radicals and chelating metal ions. Furthermore, it exhibited cytotoxic activity against carcinoma cell lines, comparable to a standard chemotherapeutic agent cisplatin. The formulation has a potential anti-aging agent and skin-whitening additive due to its significant inhibitory activity against enzymes involved in the aging process, such as hyaluronidase, elastase, and tyrosinase. Our study claims that the efficacy was attributed to the synergistic effect of combining multiple herbs in the formulation. Further, it acted as a viable source of nutritional supplements for the nutraceutical industry, as all of the plants used in the formulation are edible, making it a promising candidate for cancer treatment research and its application in cosmetic products to address hyperpigmentation and maintain skin integrity.

我们开发了一种多草药配方（MCCSSTAMP），其中含有薄荷、薤白、芳香茜草、莪术、孜然茜草、白茅、芫荽、鹅掌楸和胡椒，该配方可用于开发新型药物和化妆品。使用水醇基制备了配方，并对其植物化学成分进行了分析。初步的植物化学分析显示，MCCSSTAMP 含有多种植物化学物质，其中酚含量最高。研究还探讨了 MCCSSTAMP 的抗菌、抗氧化、细胞毒性和抗衰老特性。该制剂对各种微生物（包括抗生素耐药菌株）具有很强的抗微生物功效。MCCSSTAMP 还具有强大的抗氧化活性，能有效清除自由基和螯合金属离子。此外，它还具有抗癌细胞株的细胞毒性活性，可与标准化疗药物顺铂相媲美。该制剂对参与衰老过程的酶，如透明质酸酶、弹性蛋白酶和酪氨酸酶具有显著的抑制活性，因此具有抗衰老和美白添加剂的潜力。我们的研究表明，这种功效归功于配方中多种草药的协同作用。此外，由于配方中使用的所有植物均可食用，它还是营养保健品行业的一种可行的营养补充剂来源，因此有望用于癌症治疗研究，并应用于化妆品中，以解决色素沉着问题并保持皮肤完整性。

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引用次数: 0

Determination of the interactions of a schiff base with different targets via molecular docking and cytotoxic activity studies 通过分子对接和细胞毒性活性研究确定裂烷碱与不同靶标的相互作用

IF 3.2 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2024-09-30 DOI: 10.1016/j.jics.2024.101401

Burçin Türkmenoğlu , İrem Bayar , Zülbiye Kökbudak , Senem Akkoc

The pyrimidine nucleus is a vital pharmacophore that exhibits excellent pharmacological activity. A Schiff base containing a pyrimidine nucleus was obtained in two steps. This compound was assessed on the human prostate (PC3) and liver (HepG2) cancer cell lines using the MTT method. The prepared compound 3 was determined to have a high cytotoxic effect towards prostate cancer with an IC₅₀ value of 9.32 μM. Since experimental prostate and liver cancer studies were examined, the molecular docking study's target structures were determined accordingly. In molecular docking studies, compound 3 interacted in silico with the crystal structure of the human HER2 kinase domain (PDB Id: 3PP0), the crystal structure of VEGFR-2 (PDB Id: 4ASD), and the crystal structure of EGFR tyrosine kinase (PDB Id: 4HJO), respectively. As a result of these interactions, binding energy values were calculated, and binding modes were determined. Additional in vitro and in vivo experiments targeting other cancer cell lines will provide deeper insight into the anticancer spectrum of this compound and new studies on this compound will be planned in the following years. Furthermore, optimizing and studying such pyrimidine-based Schiff base compounds for improved selectivity and potency against prostate cancer is also considered to be valuable as it may increase the potential to capture potential drug candidates.

嘧啶核是一种重要的药源，具有出色的药理活性。我们通过两个步骤获得了含有嘧啶核的希夫碱。利用 MTT 法对该化合物在人类前列腺癌（PC3）和肝癌（HepG2）细胞系中的活性进行了评估。经测定，制备的化合物 3 对前列腺癌具有较高的细胞毒性作用，IC50 值为 9.32 μM。由于对前列腺癌和肝癌进行了实验研究，因此分子对接研究的靶标结构也相应确定。在分子对接研究中，化合物 3 分别与人 HER2 激酶结构域的晶体结构（PDB Id：3PP0）、血管内皮生长因子受体-2 的晶体结构（PDB Id：4ASD）和表皮生长因子受体酪氨酸激酶的晶体结构（PDB Id：4HJO）发生了相互作用。通过这些相互作用，计算出了结合能值，并确定了结合模式。针对其他癌细胞系的更多体外和体内实验将使我们对该化合物的抗癌谱有更深入的了解，并计划在接下来的几年中对该化合物进行新的研究。此外，优化和研究此类嘧啶基希夫碱化合物以提高其对前列腺癌的选择性和效力也被认为是非常有价值的，因为这可能会增加捕获潜在候选药物的潜力。

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引用次数: 0

Facile two step approach of Chitosan/Nickel/ZrO2 bio-nanocomposite and investigation of their antimicrobial activities against Escherichia coli 壳聚糖/镍/二氧化锆生物纳米复合材料的简便两步法及其对大肠杆菌抗菌活性的研究

IF 3.2 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2024-09-26 DOI: 10.1016/j.jics.2024.101392

M. Silambarasan , P. Suresh , R. Boopathiraja , K. Subalakshmi , R.S. Kavishna , M. Shanmugam , S. Ramu , T.S. Gnanendra

Chitosan nanoparticles (CH NPs), ZrO₂, Ni/ZrO₂. CH/ZrO₂ and CH/Ni/ZrO₂ complex have been synthesized then its antibacterial mechanisms of nanomaterials against Escherichia coli (E. coli) was evaluated by agar well diffusion and systematically analyzed by measuring the diameter of the inhibition zone. X-ray diffraction (XRD) patterns and Fourier transform infrared (FTIR) spectra and Energy dispersive X-ray (EDX) results demonstrated the formation of CH/Ni/ZrO₂ matrix. Also, the crystalline sizes were found to be 15, 13, 10 and 8 nm for ZrO₂, Ni/ZrO₂, CH/ZrO₂ and CH/Ni/ZrO₂ respectively. The FTIR spectrum revealed bands ranging from 400 to 800 cm⁻¹, indicating the presence of metal–oxygen bonds. Additionally, bands at 1620, 1523, and 1300 cm⁻¹ suggested the presence of amide groups, confirming the presence of CH in the produced CH/Ni/ZrO2 nanocomposite. In SEM analysis, the irregular spherical nanoparticles are observed in case ZrO₂ and CH/ZrO₂ samples, while spherical with an oval-shaped structure are observed in case of Ni/ZrO₂ and CH/Ni/ZrO₂ sample. Mean diameter of inhibition zone were observed to be 13 ± 2.51, 12 ± 2.08, 16 ± 1.3 mm,17 ± 2.3 mm and 18 ± 0.8 nm for CH, ZrO₂, Ni/ZrO₂, CH/ZrO₂ and CH/Ni/ZrO₂ respectively. The eco-friendly and cost-effective synthesis of Chitosan assisted Ni/ZrO₂ NPs can be utilized as an effective antibacterial agent.

研究人员合成了壳聚糖纳米粒子（CH NPs）、ZrO2、Ni/ZrO2、CH/ZrO2 和 CH/Ni/ZrO2 复合物。合成了 CH/ZrO2 和 CH/Ni/ZrO2 复合物，然后用琼脂井扩散法评估了纳米材料对大肠杆菌（E. coli）的抗菌机制，并通过测量抑菌区的直径进行了系统分析。X 射线衍射（XRD）图谱、傅立叶变换红外（FTIR）光谱和能量色散 X 射线（EDX）结果表明形成了 CH/Ni/ZrO2 基体。此外，ZrO2、Ni/ZrO2、CH/ZrO2 和 CH/Ni/ZrO2 的结晶尺寸分别为 15、13、10 和 8 纳米。傅立叶变换红外光谱显示了 400 至 800 cm-1 的频带，表明存在金属氧键。此外，1620、1523 和 1300 cm-1 处的谱带表明存在酰胺基团，从而证实了 CH/Ni/ZrO2 纳米复合材料中存在 CH。在扫描电镜分析中，ZrO2 和 CH/ZrO2 样品观察到不规则的球形纳米颗粒，而 Ni/ZrO2 和 CH/Ni/ZrO2 样品观察到椭圆形的球形结构。CH、ZrO2、Ni/ZrO2、CH/ZrO2 和 CH/Ni/ZrO2 的抑制区平均直径分别为 13 ± 2.51、12 ± 2.08、16 ± 1.3 mm、17 ± 2.3 mm 和 18 ± 0.8 nm。壳聚糖辅助 Ni/ZrO2 NPs 的合成既环保又经济，可用作有效的抗菌剂。

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引用次数: 0

Fabrication of modified Sb2O3 nanospheres for the removal of hazardous malachite green organic pollutant and selective NO2 gas sensor 制备用于去除有害孔雀石绿有机污染物和选择性二氧化氮气体传感器的改性 Sb2O3 纳米球

IF 3.2 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Indian Chemical Society

Pub Date : 2024-09-25 DOI: 10.1016/j.jics.2024.101396

Mansi H. Magar , Vishnu A. Adole , Manohar R. Patil , Ravindra H. Waghchaure , Umesh J. Tupe , Thansing B. Pawar

Sb₂O₃ and Ni modified Sb₂O₃ (Ni–Sb₂O₃) nanospheres were synthesized using low cost co-precipitation method and characterised using various instrumental methods such as X-ray Powder Diffraction (XRD), High Resolution Transmission Electron Microscopy (HR-TEM), Scanning Electron Microscopy (SEM), Energy dispersive X-ray spectroscopy (EDS), and Fourier-transform infrared (FT-IR) spectroscopy. The XRD pattern reveals cubic crystal lattice. The average size of Sb₂O₃ and Ni–Sb₂O₃ nanoparticles was calculated to be around 41 nm and 29 nm, respectively. The HR-TEM investigation of the Sb₂O₃ nanomaterial reveals homogeneous spherical balls with a fine dispersion. The random-shaped nanoparticles with porous surfaces and voids were revealed by SEM. EDS examination confirms the elemental composition of Sb (41.79 %) and O (58.21 %) in Sb₂O₃ and Sb (36.80 %), O (58.95 %), and Ni (4.25 %) in Ni–Sb₂O₃. Sb₂O₃ and Ni– Sb₂O₃ exhibit band gaps of 3.67 eV and 3.51 eV, respectively, according to UV–Vis analysis. The IR peaks 445.47, 642.18, and 745.18 in Sb₂O₃ and 438.72, 645.07, and 756.92 in Ni– Sb₂O₃ support the Sb–O bonding in the synthesized nanomaterials. The synthesized nanomaterials have been used for photocatalytic degradation of malachite green (MG) dye and sensing NO₂, SO₂, CO₂, petroleum vapour and LPG gases. The MG dye was degraded 97.67 % in 120 min using Ni–Sb₂O₃ at optimized conditions (catalyst dose: 0.1 g/L to 0.3 g/L, pH: 7 and MG dye: 10 ppm). The gas sensing study showed that Ni–Sb₂O₃ sensor has greater sensitivity and selectivity for NO₂ gas.

采用低成本共沉淀法合成了 Sb2O3 和镍修饰的 Sb2O3（Ni-Sb2O3）纳米球，并使用多种仪器方法对其进行了表征，如 X 射线粉末衍射 (XRD)、高分辨率透射电子显微镜 (HR-TEM)、扫描电子显微镜 (SEM)、能量色散 X 射线光谱 (EDS) 和傅立叶变换红外光谱 (FT-IR)。X 射线衍射图显示了立方晶格。经计算，Sb2O3 和 Ni-Sb2O3 纳米粒子的平均尺寸分别约为 41 纳米和 29 纳米。对 Sb2O3 纳米材料进行的 HR-TEM 研究表明，该纳米材料呈均匀的球状，分散性很好。扫描电镜显示出随机形状的纳米颗粒，表面有多孔和空隙。EDS 检验证实了 Sb2O3 中 Sb（41.79 %）和 O（58.21 %）的元素组成，以及 Ni-Sb2O3 中 Sb（36.80 %）、O（58.95 %）和 Ni（4.25 %）的元素组成。根据紫外可见光分析，Sb2O3 和 Ni-Sb2O3 的带隙分别为 3.67 eV 和 3.51 eV。在 Sb2O3 和 Ni- Sb2O3 中，红外峰分别为 445.47、642.18 和 745.18，红外峰分别为 438.72、645.07 和 756.92。合成的纳米材料已被用于光催化降解孔雀石绿（MG）染料，以及感知二氧化氮、二氧化硫、二氧化碳、石油蒸汽和液化石油气。在优化条件下（催化剂剂量：0.1 克/升至 0.3 克/升，pH 值：7，孔雀石绿染料：10 ppm），使用 Ni-Sb2O3 在 120 分钟内降解了 97.67%的孔雀石绿染料。气体传感研究表明，Ni-Sb2O3 传感器对二氧化氮气体具有更高的灵敏度和选择性。

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