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Optimizing therapeutics: A novel mutual prodrug of ketoprofen and Chlorzoxazone for enhanced efficacy and safety 优化疗法:提高疗效和安全性的酮洛芬和氯唑沙宗新型互为原药
IF 3.2 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-14 DOI: 10.1016/j.jics.2024.101471
Ketaki S. Salve , Neela M. Bhatia , Sameer J. Nadaf
The development of mutual prodrugs signifies a pivotal advancement in the optimization of therapeutic profiles for established pharmaceuticals. This study explores the synthesis and evaluation of an innovative mutual prodrug combining the nonsteroidal anti-inflammatory drug (NSAID) Ketoprofen and the skeletal muscle relaxant Chlorzoxazone. Designed to alleviate gastric irritation inherent to NSAIDs while capitalizing on the synergistic benefits of both agents, the synthesized mutual prodrug was characterized and confirmed through extensive physicochemical and spectroscopic studies. Solubility and partition coefficient analyses indicated heightened lipophilicity, enhancing the prodrug's suitability for oral administration compared to its parent drugs. Additionally, protein binding studies revealed a low binding affinity, suggesting improved bioavailability. Subsequent in vitro hydrolysis studies assessed the prodrug's stability across various pH levels (1.2, 3, 5 and 7.4) simulated gastric and intestinal fluids, plasma and rat liver homogenate, with quantitative evaluation performed by high-performance liquid chromatography. The prodrug remained stable and unhydrolyzed in the stomach after absorption, but underwent rapid cleavage by esterase's in blood and rat liver homogenate, releasing the active parent drugs. Our investigation underscores the transformative potential of mutual prodrug design in optimizing the efficacy and safety profile of combining NSAIDs with muscle relaxants. This approach offers a novel therapeutic strategy that enhances patient outcomes while minimizing adverse effects, paving the way for innovative treatments in managing musculoskeletal conditions and improving overall quality of life.
互利原药的开发标志着现有药物在优化治疗方案方面取得了关键性进展。本研究探讨了非甾体抗炎药(NSAID)酮洛芬和骨骼肌松弛剂氯唑沙宗的创新互效原药的合成和评估。为了减轻非甾体抗炎药固有的胃刺激症状,同时利用这两种药物的协同作用,我们对合成的互利原药进行了表征,并通过大量的理化和光谱研究加以确认。溶解度和分配系数分析表明,与母药相比,原药具有更高的亲脂性,更适合口服给药。此外,蛋白质结合研究显示,原药的结合亲和力较低,表明生物利用度有所提高。随后的体外水解研究评估了原药在不同 pH 值(1.2、3、5 和 7.4)的模拟胃液、肠液、血浆和大鼠肝匀浆中的稳定性,并通过高效液相色谱法进行了定量评估。原药吸收后在胃中保持稳定且未水解,但在血液和大鼠肝匀浆中会被酯酶迅速裂解,释放出活性母药。我们的研究强调了互利原药设计在优化非甾体抗炎药与肌肉松弛剂联合用药的疗效和安全性方面的变革潜力。这种方法提供了一种新颖的治疗策略,在提高患者疗效的同时将不良反应降至最低,为治疗肌肉骨骼疾病和提高整体生活质量的创新疗法铺平了道路。
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引用次数: 0
Synthesis, X-ray analysis, specific electric conductivity study and antioxidant activity of novel compound based on 3-(1-phenyl-2,3-dimethylpyrazolone-5)azopentadione-2,4 基于 3-(1-苯基-2,3-二甲基吡唑酮-5)偶氮戊二酮-2,4 的新型化合物的合成、X 射线分析、比电导率研究和抗氧化活性
IF 3.2 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-13 DOI: 10.1016/j.jics.2024.101473
Esmira Eyyubova , Famil Chiragov , Faik Musayev , Khalil Nagiyev , Namiq Shikhaliyev , Vagif Farzaliyev , Afsun Sujayev
A reagent 3-(1-phenyl-2,3-dimethylpyrazolone-5)azopentadione-2,4 was synthesized and isolated into crystalline form based on 4-amino-antipyrine and acetylacetone. Subsequently, 2 molecules of 3-(1-phenyl-2,3-dimethylpyrazolone-5)azopentadione-2,4 were cross-linked with ethylenediamine and a novel reagent 4-((E)-(2-((2-((1R)-2-(1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl)-4,4,5-trimethyl-4,5-dihydro-1H-1λ4,2λ4,3-triazol-1-yl)ethyl)amino)-4-oxopentan-3-yl)diazenyl)-1,5-dimethyl-2 phenylpyrazolidin-3-one.
Single crystals of the resulting product were obtained and its main characteristics were studied. Using X-ray diffraction analysis, the structure of the synthesized product was studied and the parameters of the crystal cell were determined. The stability constants and specific electric conductivity of resulting complexes of R2 with Fe3+, Cu2+, Cd2+, Zn2+, Co2+, Mn2+, Ni2+ ions were calculated.
The antioxidant properties of the synthesized compounds were investigated in model reactions using the kinetic method. It was found that the synthesized compounds are effective inhibitors of hydrocarbon oxidation.
一种试剂 3-(1-苯基-2,3-二甲基吡唑酮-5)偶氮戊二酮-2,4 以 4-氨基安替比林和乙酰丙酮为基础被合成并分离成晶体状。随后,2 个分子的 3-(1-苯基-2,3-二甲基吡唑酮-5)偶氮戊二酮-2,4 与乙二胺和一种新型试剂 4-((E)-(2-((2-((1R)-2-(1、2-((2-((1R)-2-(1,5-二甲基-3-氧代-2-苯基吡唑烷-4-基)-4,4,5-三甲基-4,5-二氢-1H-1λ4,2λ4,3-三唑-1-基)乙基)氨基)-4-氧代戊烷-3-基)偶氮)-1,5-二甲基-2-苯基吡唑烷-3-酮。我们获得了所得产物的单晶体,并对其主要特征进行了研究。通过 X 射线衍射分析,研究了合成产物的结构,并确定了晶胞参数。计算了 R2 与 Fe3+、Cu2+、Cd2+、Zn2+、Co2+、Mn2+、Ni2+ 离子形成的络合物的稳定常数和比电导率。研究发现,合成的化合物是有效的碳氢化合物氧化抑制剂。
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引用次数: 0
Synthesis, characterization, insecticidal activity and antibacterial evaluation of some heterocyclic compounds containing 1,2,3-triazoles moiety 一些含有 1,2,3 三唑分子的杂环化合物的合成、表征、杀虫活性和抗菌评价
IF 3.2 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-12 DOI: 10.1016/j.jics.2024.101466
Mai M. Khalaf , Hany M. Abd El-Lateef , Mohamed Gouda , Tamer Mohamed Abdelghani Ibrahim , Hemdan El-Shamy , Antar A. Abdelhamid , Saleh AL-Ghamdi , Amer A. Amer , Mohammad Mahboob Alam , Mohamed A. Gad
A series of 1,2,3-triazole compounds having thymol or paracetamol moieties have been designed via employing ‘click’ chemistry with copper-catalyzed azide-alkyne cycloaddition reactions. Additionally, the insecticidal characterizations of many designed products were perceived with respect to second & fourth of Spodoptera littoralis instar larvae. Numerous insecticides are revealed as novelties. As a result, numerous triazole derivatives were designed chemically to assist as analogues a comprehensive class of insecticides. With LC50 value of 0.321 mg/L for second larvae instar and LC50 = 0.627 mg/L four instar larvae, components 10 display the highest insecticidal bioactivity. This article deliberates how to find novel compounds that could be employed as insecticidal components in the future. A few biological and biochemical properties of the compounds produced in a laboratory environment were also examined. This work also addresses the process of finding new compounds that could be used as insecticidal products in the future. Ultimately, the antibacterial effectiveness of each developed component contrary to both Gram-positive & Gram-negative bacteria was observed.
通过铜催化叠氮-炔环加成反应的 "点击 "化学,设计出了一系列具有百里酚或扑热息痛分子的 1,2,3-三唑化合物。此外,还对许多设计产品的杀虫特性进行了研究,包括对鞘翅目幼虫的第二、第三和第四龄幼虫的杀虫特性。发现了许多新颖的杀虫剂。因此,我们通过化学方法设计了许多三唑类衍生物,以协助开发一类全面的杀虫剂。成分 10 对第二龄幼虫的半数致死浓度为 0.321 毫克/升,对第四龄幼虫的半数致死浓度为 0.627 毫克/升,显示出最高的杀虫生物活性。本文探讨了如何寻找未来可用作杀虫成分的新型化合物。此外,还研究了在实验室环境中生产的化合物的一些生物和生化特性。这项研究还探讨了寻找未来可用作杀虫产品的新化合物的过程。最后,还观察了所开发的每种成分对革兰氏阳性和阴性细菌的抗菌效果。
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引用次数: 0
Adsorption study of CO and O2 on Au5-x-yAgxCuy [x, y = 1, 3] trimetallic nanoclusters Au5-x-yAgxCuy [x, y = 1, 3] 三金属纳米团簇对 CO 和 O2 的吸附研究
IF 3.2 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-08 DOI: 10.1016/j.jics.2024.101469
Jai Parkash , Amit Kumar
In present study, we focus on adsorption of CO and O2 gases over different trimetallic nanocluster. Among all trimetallic nanoclusters, copper occupied four coordinated sites and found to be nearly planer. The adsorption of carbon monoxide (CO) at these four coordinated sites drastically changes the structure of all the trimetallic nanoclusters. The adsorption trend of CO followed by all trimetallic nanoclusters is copper, gold and silver respectively. The anomalous behaviour arises due to the relativistic effect in the case of gold. The relativistic effect destabilizes the d-orbital and s-orbital. The destabilized d-orbital enhances the pi-back bonding. Unlike CO, the O2 adsorption at four coordinated Cu-sites does not bring as drastic changes in the geometry of the nanocluster as it in the case of CO adsorption at 4-coordinated Cu-site. In contrast, CO adsorbs on these nanoclusters as one atom on top of another (μ1η1-atop mode), whereas O2 exhibits three types of bonding-bridging mode, atop mode (-μ2η2 or μ2η1 - bridging mode or μ1η1-atop mode).
在本研究中,我们重点研究了不同三金属纳米团簇对 CO 和 O2 气体的吸附。在所有三金属纳米簇中,铜占据了四个配位位点,且几乎呈平面状。一氧化碳(CO)在这四个配位位点上的吸附极大地改变了所有三金属纳米簇的结构。所有三金属纳米团簇对一氧化碳的吸附趋势分别是铜、金和银。金的异常行为是由于相对论效应造成的。相对论效应破坏了 d 轨道和 s 轨道的稳定性。失稳的 d 轨道增强了π-背键。与 CO 不同,O2 吸附在 4 个配位的 Cu 位点上不会像 CO 吸附在 4 个配位的 Cu 位点上那样使纳米簇的几何形状发生剧烈变化。相反,CO 在这些纳米团簇上的吸附方式是一个原子吸附在另一个原子之上(μ1η1-atop 模式),而 O2 则表现出三种成键桥接模式,即顶部模式(-μ2η2 或 μ2η1 - 桥接模式或 μ1η1-atop 模式)。
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引用次数: 0
Photocatalytic and sensing studies of a new metal-organic framework of Ca(II) with phenylmalonic acid Ca(II) 与苯丙二酸的新型金属有机框架的光催化和传感研究
IF 3.2 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-07 DOI: 10.1016/j.jics.2024.101468
P.B. Anagha, Varsha Kunjumon, S. Shibu Prasad, V.N. Sheemol, S. Biju
A new metal-organic framework of Ca(II) with phenylmalonic acid, [Ca(PMA)]n has been prepared by gel diffusion method. Single crystal X-ray diffraction data show that the crystal belongs to the monoclinic space group C2/c. In the crystal structure, the phenylmalonate ligand adopts bis-monodentate and bidentate coordination modes with the Ca(II) ions. The Ca-phenylmalonate units extend three dimensionally forming a network structure. Thermogravimetric studies confirm that the crystal structure of [Ca(PMA)]n is stable up to 160 °C. Photocatalytic dye degradation studies on methylene blue under sunlight shows 60.8 % degradation efficiency. When the title compound is excited at 260 nm, strong luminescence emission at 290 nm was observed. Sensing property of [Ca(PMA)]n with Fe3+ ions was also investigated.
利用凝胶扩散法制备了一种新的苯丙二酸 Ca(II) 金属有机框架 [Ca(PMA)]n。单晶 X 射线衍射数据显示,该晶体属于单斜空间群 C2/c。在晶体结构中,苯基丙二酸配体与 Ca(II)离子采用双单齿配位和双齿配位模式。苯基丙二酸钙配体单元的三维延伸形成了网络结构。热重研究证实,[Ca(PMA)]n 的晶体结构在 160 ℃ 以下都很稳定。在阳光下对亚甲基蓝进行的光催化染料降解研究表明,降解效率为 60.8%。当标题化合物在 260 纳米波长处被激发时,可在 290 纳米波长处观察到强烈的发光发射。此外,还研究了[Ca(PMA)]n 与 Fe3+ 离子的传感特性。
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引用次数: 0
Synthesis, evaluation of antioxidant and antidiabetic potential of 3-ethoxy carbonyl coumarin-8-propionamides 3-乙氧基羰基香豆素-8-丙酰胺的合成、抗氧化和抗糖尿病潜力评估
IF 3.2 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-06 DOI: 10.1016/j.jics.2024.101465
Dayanand N. Patagar , Raviraj Kusanur , Sheetal R. Batakurki , Maya Pai M , Vishnumurthy K. A , Swarna M. Patra , Aejaz A. Khan
A series of 3- ethoxycarbonyl coumarin-8-propionamide analogues were designed, synthesized and in vitro antioxidant potential was screened by DPPH and ABTS assays and examined their anti-diabetic activity against α-amylase enzyme. The 3-fluoro-2-trifluoromethyl phenyl substituted coumarin-8-propionamide (8k) showed excellent scavenging potential (IC50 - 43.1 μM) for both DPPH and ABTS free radicals compared with the standards trolox (IC50 - 43.3 μM) and ascorbic acid (IC50 - 42.1 μM). The compound dicyanophenyl substituted propionamide analogue (8m) displayed highest inhibition with IC50 value of 5.1 μM against the α-amylase enzyme which is well comparable with Metformin (IC50 4.6 μM). The docking studies of the compounds with the receptor protein α-amylase (PDB ID 4x9y) shown lower binding energy when compared with Metformin.
研究人员设计、合成了一系列 3- 乙氧羰基香豆素-8-丙酰胺类似物,并通过 DPPH 和 ABTS 试验筛选了这些类似物的体外抗氧化潜力,同时考察了它们对α-淀粉酶的抗糖尿病活性。与标准品三氯氧磷(IC50 - 43.3 μM)和抗坏血酸(IC50 - 42.1 μM)相比,3-氟-2-三氟甲基苯基取代的香豆素-8-丙酰胺(8k)对 DPPH 和 ABTS 自由基具有极佳的清除潜力(IC50 - 43.1 μM)。二氰基苯取代的丙酰胺类似物(8m)对α-淀粉酶的抑制作用最强,IC50 值为 5.1 μM,与二甲双胍(IC50 4.6 μM)相当。化合物与受体蛋白α-淀粉酶(PDB ID 4x9y)的对接研究显示,与二甲双胍相比,化合物的结合能更低。
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引用次数: 0
Functionalized carbohydrazide: Synthesis, insecticide evaluation, biological and histological studies of some new carbohydrazide derivatives against Spodoptera frugiperda 功能化羧酰肼:一些新的羧酰肼衍生物的合成、杀虫评估、针对鞘翅目蚜虫的生物学和组织学研究
IF 3.2 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-06 DOI: 10.1016/j.jics.2024.101464
Ali M. Drar , Thuraya A.A.M. AL-Saadi , Omar M. Elhady , Moustafa M.S. Bakry , Felwa A. Thagfan , Rania Ali El Hadi Mohamed , Marwa Adel Thabet , Mohamed A. Gad
Fall armyworms, or Spodoptera frugiperda, are a major pest for numerous economically significant cultures. The majority of S. frugiperda control is still accomplished through the use of genetically modified plants and artificial chemicals, both of which have the potential to negatively impact no target animals. In order to further improve the insecticidal activity based on eco-friendly principles, we synthesized ten novel carbohydrazide derivatives and evaluated their insecticidal performance against S. frugiperda larvae in their second and fourth larval instars. A number of spectroscopic techniques, were used to verify the newly developed products' structural integrity. Target compound 10 was the most active, with an LC50 of 2.14 mg/L for 2nd instar larvae and 15.33 mg/L for 4th instar larvae. In addition, some biological and histological characteristics of the demonstration compounds were also investigated. This work provides new insights into the production of carbohydrazide compounds and further supports the anti-proliferation of S. frugiperda.
秋绵虫是许多具有重要经济价值的养殖业的主要害虫。目前,大部分的秋刺吸虫防治工作仍然是通过使用转基因植物和人工化学品来完成的,而这两种方法都有可能对目标动物产生负面影响。为了在生态友好原则的基础上进一步提高杀虫活性,我们合成了十种新型羧酰肼衍生物,并评估了它们对第二和第四龄幼虫的杀虫性能。我们使用了多种光谱技术来验证新开发产品的结构完整性。目标化合物 10 的活性最高,对第二龄幼虫的半致死浓度为 2.14 毫克/升,对第四龄幼虫的半致死浓度为 15.33 毫克/升。此外,还研究了示范化合物的一些生物学和组织学特征。这项工作为羧酰肼化合物的生产提供了新的见解,并进一步支持了对节肢动物的抗增殖作用。
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引用次数: 0
Efficient photocatalytic degradation of Rhodamine B dye by undoped and zinc doped zirconium dioxide NPs 未掺杂和掺锌二氧化锆氮氧化物对罗丹明 B 染料的高效光催化降解
IF 3.2 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-05 DOI: 10.1016/j.jics.2024.101461
S. Jeba Jenifa , B. Helina , S.C. Vella Durai
Undoped and Zinc-doped Zirconium Dioxide (ZrO2) nanoparticles (NPs) were synthesized via the co-precipitation method, employing Zirconium (IV) Oxynitrate hydrate (ZrO2N2·xH2O), Zinc Sulfate (ZnSO4·7H2O), and ammonia solution as precursor materials at room temperature. A comprehensive characterization of the structural, morphological, optical, and catalytic properties of the prepared samples was conducted using various techniques. Powder X-ray diffraction (PXRD) analysis revealed that the synthesized NPs exhibited a tetragonal phase structure, with crystallite sizes decreasing as doping concentration increased. Scanning electron microscopy (SEM) images confirmed the spherical shape of the NPs. Energy-dispersive X-ray spectroscopy (EDX) verified the presence of Zr, O, and Zn elements with high purity. Raman spectroscopy corroborated the tetragonal structure of the synthesized ZrO2 NPs. Ultraviolet–visible (UV–Vis) spectroscopy studies determined the cutoff wavelengths, while Tauc plot enabled the calculation of band gap energies. Fourier transform infrared spectroscopy (FTIR) confirmed the functional groups present in the synthesized samples. Photoluminescence spectroscopy provided evidence of defects and charge carrier recombination processes. The catalytic efficacy of the synthesized ZrO2 NPs was demonstrated through the degradation of Rhodamine B dye under visible and UV light.
以水合硝酸氧化锆(ZrO2N2-xH2O)、硫酸锌(ZnSO4-7H2O)和氨溶液为前驱体材料,在室温下通过共沉淀法合成了未掺杂和掺锌的二氧化锆(ZrO2)纳米粒子(NPs)。利用各种技术对所制备样品的结构、形态、光学和催化特性进行了综合表征。粉末 X 射线衍射(PXRD)分析表明,合成的 NPs 呈四方相结构,晶体尺寸随着掺杂浓度的增加而减小。扫描电子显微镜(SEM)图像证实了 NPs 呈球形。能量色散 X 射线光谱(EDX)验证了高纯度 Zr、O 和 Zn 元素的存在。拉曼光谱证实了合成 ZrO2 NPs 的四方结构。紫外-可见(UV-Vis)光谱研究确定了截止波长,而陶氏硬度图则有助于计算带隙能。傅立叶变换红外光谱(FTIR)证实了合成样品中存在的官能团。光致发光光谱提供了缺陷和电荷载流子重组过程的证据。通过在可见光和紫外光下降解罗丹明 B 染料,证明了合成 ZrO2 NPs 的催化功效。
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引用次数: 0
Thermophysical and corrosion inhibitor evaluation of graphene, aluminum nitride and barium titanate nanolubricants 石墨烯、氮化铝和钛酸钡纳米润滑剂的热物理和腐蚀抑制剂评估
IF 3.2 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-05 DOI: 10.1016/j.jics.2024.101462
Muhammad Hafizudeen Muhamad Zulkflee, Hussin Mamat
A newly developed kind of fluid known as nanolubricant is produced by dispersing nanometer-sized materials in base oil. The main issue with nanolubricant is particle stability, which occurs when nanoparticles aggregate due to van der Waals forces. The aim of the study is to evaluate the performance of graphene (GR), aluminium nitride (AlN), and barium titanate (BTO) nanolubricants at 0.05 and 0.1 vol % concentrations. The stability was identified by using sedimentation photograph capturing method and zeta potential analysis, while KD2 Pro Analyzer was used to measure the thermal conductivity, and the effect of corrosion inhibitor evaluation was measured according to ASTM D130-19. The nanolubricants are prepared by two-step method and undergo ultrasonication process to ensure the nanoparticles are well dispersed in base oil. The results showed that nanolubricants containing 0.05 vol % nanoparticles are more stable than 0.1 vol % nanolubricants. Nanolubricants with 0.1 vol % showed signs of instability based on low zeta potential values. This is due to the fact that the higher the concentration of nanoparticles, the closer the nanoparticles are to one another. This increased van der Waals attraction and potentially causing nanoparticle agglomeration. Improvement in thermal conductivity was obtained with high volume concentration of GR, AlN and BTO nanoparticles. All nanolubricants achieved an ASTM Standard D130 classification of 1a based on the Copper Strip Corrosion Test Standard (slight tarnish, slight colour change). As a result, it was discovered that all prepared samples are effective anticorrosion lubricating oil additives.
一种新开发的润滑油被称为纳米润滑油,是通过在基础油中分散纳米级材料而制成的。纳米润滑剂的主要问题是颗粒稳定性,当纳米颗粒因范德华力而聚集时就会出现这种问题。本研究旨在评估浓度为 0.05 和 0.1 Vol % 的石墨烯 (GR)、氮化铝 (AlN) 和钛酸钡 (BTO) 纳米润滑剂的性能。使用沉降照片捕捉法和 ZETA 电位分析确定了稳定性,同时使用 KD2 Pro 分析仪测量了热导率,并根据 ASTM D130-19 标准测量了缓蚀剂的效果评估。纳米润滑剂采用两步法制备,并经过超声处理,以确保纳米颗粒在基础油中充分分散。结果表明,含 0.05 Vol % 纳米粒子的纳米润滑剂比含 0.1 Vol % 纳米粒子的纳米润滑剂更稳定。根据较低的 zeta 电位值,0.1 Vol % 的纳米润滑剂显示出不稳定的迹象。这是由于纳米粒子的浓度越高,纳米粒子之间的距离就越近。这增加了范德华吸引力,并可能导致纳米粒子聚集。高浓度的 GR、AlN 和 BTO 纳米粒子可提高导热性。根据铜带腐蚀测试标准,所有纳米润滑剂都达到了 ASTM 标准 D130 的 1a 级分类(轻微褪色、轻微变色)。结果发现,所有制备的样品都是有效的防腐蚀润滑油添加剂。
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引用次数: 0
Study of Pure and Mixed-Phase TiO2 Nanomaterials Synthesized via a Modified Solvothermal Method and Their Optical Properties 改良溶热法合成的纯相和混相二氧化钛纳米材料及其光学特性研究
IF 3.2 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-04 DOI: 10.1016/j.jics.2024.101460
Abul Kalam , Abdullah Godran Al-Sehemi , Shuhrah Ali S. Allami , Md. Ashrafuzzaman , Pankaj Yadav , Gaohui Du
The modified-solvothermal method has been used to synthesize pure anatase and anatase-rutile mixed-phase TiO2 nanomaterials using titanium isopropoxide, sodium hydroxide, and triethylamine as primary sources with different calcination temperatures (500 °C and 700 °C). The effect of the precipitating agent, capping agent, and calcination temperatures on the properties, such as structural, morphological, and optical of the resultant nanomaterials has been investigated through several techniques including X-ray diffraction (XRD), Raman spectroscopy, Transmission electron microscopy (TEM), UV–Vis absorption spectroscopy, Scanning electron microscopy (SEM), selected area electron diffraction (SAED), and high-resolution transmission electron microscopy (HRTEM). XRD and Raman spectra confirmed the pure anatase and anatase-rutile mixed structures of the prepared nanomaterials at 500 °C and 700 °C. Furthermore, the Raman active modes confirmed the formation of TiO2. It is noticed that the crystallite size of the nanomaterials increased with increasing calcination temperature of the XRD pattern. The morphologies of the prepared samples were displayed using SEM and TEM micrographs, which are almost the same in shape (cubic and cubic rod mixed). The particle size increased with an increase in calcination temperature and was found to be between 10 and 20 nm, which is similar to the crystallite size. The lattice fringes (d) from HRTEM images are assigned to the XRD plane (101) and (110) plane of anatase and anatase-rutile TiO2, respectively. The SAED exhibited well crystalline nature and confirmed the polycrystalline nature of the prepared nanomaterials by the bright points and the ring patterns. The optical band gap decreased with an increase in temperature and the optical properties are affected by calcination temperature and triethylamine.
以异丙醇钛、氢氧化钠和三乙胺为主要原料,在不同的煅烧温度(500 °C和700 °C)下,采用改良溶热法合成了纯锐钛型和锐钛型-中性混合相二氧化钛纳米材料。通过多种技术,包括 X 射线衍射(XRD)、拉曼光谱、透射电子显微镜(TEM)、紫外可见吸收光谱、扫描电子显微镜(SEM)、选区电子衍射(SAED)和高分辨率透射电子显微镜(HRTEM),研究了沉淀剂、封端剂和煅烧温度对纳米材料的结构、形态和光学等性能的影响。XRD 和拉曼光谱证实了所制备的纳米材料在 500 ℃ 和 700 ℃ 时的纯锐钛矿和锐钛矿-金红石混合结构。此外,拉曼活性模式证实了 TiO2 的形成。XRD图谱显示,纳米材料的晶体尺寸随着煅烧温度的升高而增大。利用 SEM 和 TEM 显微照片显示了制备样品的形态,其形状几乎相同(立方体和立方体棒状混合)。粒度随着煅烧温度的升高而增大,在 10 至 20 纳米之间,与结晶粒度相似。HRTEM 图像中的晶格条纹 (d) 分别归属于锐钛矿型和锐钛矿型中性二氧化钛的 XRD 平面 (101) 和 (110) 平面。SAED 显示出良好的结晶性,并通过亮点和环形图案证实了所制备纳米材料的多晶性。光带隙随温度升高而减小,光学性质受煅烧温度和三乙胺的影响。
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期刊
Journal of the Indian Chemical Society
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