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Influence of fuel-to-oxidizer ratio, potential of hydrogen and annealing temperature on the structural and optical properties of nanocrystalline MgO powders synthesized by the hydrothermal method 燃料-氧化剂比、氢电位和退火温度对水热法制备纳米晶MgO粉体结构和光学性能的影响
4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-11-03 DOI: 10.1080/17458080.2023.2276278
Bruska Azhdar
Nanocrystalline magnesium oxide powders (MgO) were prepared using a hydrothermal method. In various fuel-to-oxidizer ratios (F/O) and precursor solutions with pH levels from 8 to 12, magnesium nitrate hexahydrate Mg(NO3)2 was utilized as an oxidizer and polyvinyl alcohol (PVA) as a fuel. To improve crystallinity and phase purity, these materials were annealed for two hours at varied temperatures. XRD, FTIR, EDS, FESEM and DRS were used to study the MgO nanopowders’ structure, vibration, elemental and optical properties. The fuel-to-oxidizer ratios, annealing temperatures and pH values greatly affected the samples’ properties. The synthesized powders had a particle size distribution in the range of 18–49 nm. The XRD results showed that the crystallite percent of the MgO phase grew with an increase in the F/O from 0.5 to 0.75, and then, it decreased at F/O = 1. The maximum percent of crystallites was observed at pH = 8. By increasing the annealing temperatures, the crystallite size of the samples increased from 22.82 nm to 49.06 nm, while the specific surface area and dislocation density decreased from 20.59 m2/g to 7.83 m2/g and 0.0006 nm−2 to 0.0001 nm−2, respectively. FTIR spectra results indicated that the MgO band peaking at (418–688 cm−1) was high at pH value 8, then it reduced at pH 10 and finally, this peak had the smallest size at pH = 12. Further confirmation of MgO presence and its homogeneity in the final product was approved through EDS measurements. DRS spectra were used to obtain energy gap using Kubelka–Munk relation and noticed in the range of 5.72–5.89 eV for MgO NPs.
采用水热法制备了纳米氧化镁粉体。在不同的燃料-氧化剂比(F/O)和pH值为8 ~ 12的前驱体溶液中,以六水硝酸镁Mg(NO3)2为氧化剂,聚乙烯醇(PVA)为燃料。为了提高结晶度和相纯度,这些材料在不同温度下退火两小时。采用XRD、FTIR、EDS、FESEM和DRS对MgO纳米粉体的结构、振动、元素和光学性质进行了研究。燃料-氧化剂比、退火温度和pH值对样品的性能影响较大。合成的粉体粒径分布在18 ~ 49 nm之间。XRD结果表明,随着F/O从0.5增加到0.75,MgO相的结晶率逐渐增大,当F/O = 1时,MgO相的结晶率逐渐减小。pH = 8时结晶率最高。随着退火温度的升高,样品的晶粒尺寸从22.82 nm增大到49.06 nm,比表面积和位错密度分别从20.59 m2/g和0.0006 nm - 2减小到7.83 m2/g和0.0001 nm - 2。FTIR光谱结果表明,在pH = 8时,MgO在(418 ~ 688 cm−1)处的峰值较高,在pH = 10时峰值减小,在pH = 12时峰值最小。通过EDS测量进一步证实了MgO的存在及其在最终产品中的均匀性。DRS光谱利用Kubelka-Munk关系得到了MgO NPs在5.72 ~ 5.89 eV范围内的能隙。
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引用次数: 0
Phyto-synthesis of silver nanoparticles from Plumeria pudica leaf extract and its application in anti-cancerous activity 鸡蛋花叶提取物合成纳米银及其抗癌活性研究
4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-26 DOI: 10.1080/17458080.2023.2267183
Sumit K. Shrivastava, Asita Kulshreshtha, Rajesh K. Gangwar, Shikha Srivastava, Abhishek P. Tiwari, Santpal Singh, Saurabh Kumar, Shama Parveen, Monisha Banerjee, Dhirendra K. Chaudhary
In this study, we have developed an environment friendly and novel approach for the synthesis of silver nanoparticles utilising plumeria pudica leaf extract. In this technique, the leaf extract was employed as both a reducing agent for the reduction of a silver nitrate (AgNO3) solution and a capping agent, leading to the synthesis of silver nanoparticles (Ag NPs). The outcomes of these analyses revealed an average particle size of ∼19 nm as determined by SEM, while XRD measurements indicated a crystalline domain size of ∼12 nm and a lattice parameter of approximately 4.087467 Å. Furthermore, the anti-cancer potential of the synthesised silver nanoparticles was evaluated, unveiling an IC50 value of around 28 µM. This suggests that the introduced silver nanoparticles may have triggered apoptosis, consequently inducing cell death. These findings underscore the potential of utilising environmentally benign silver nanoparticles in lung cancer chemotherapy.
在本研究中,我们开发了一种利用羽绒花叶提取物合成纳米银的环保新方法。在这项技术中,叶子提取物被用作还原硝酸银(AgNO3)溶液的还原剂和封盖剂,从而合成纳米银(Ag NPs)。这些分析的结果显示,SEM测定的平均粒径为~ 19 nm,而XRD测量表明,晶畴尺寸为~ 12 nm,晶格参数约为4.087467 Å。此外,对合成的银纳米颗粒的抗癌潜力进行了评估,发现其IC50值约为28 μ M。这表明引入的银纳米颗粒可能引发细胞凋亡,从而诱导细胞死亡。这些发现强调了在肺癌化疗中利用无害环境的银纳米颗粒的潜力。
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引用次数: 0
Synthesis, characterization, and analysis of zinc oxide nanoparticles using varying pulsed laser ablation energies in liquid 利用不同脉冲激光烧蚀能量在液体中合成、表征和分析氧化锌纳米颗粒
4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-17 DOI: 10.1080/17458080.2023.2175817
Tahani H. Flemban
Nanoparticles (NPs) find widespread applications in detectors, catalysis, optoelectronics, and medical devices, owing to their high surface-to-volume ratio and zero-dimensional confinement. However, addressing environmental concerns is crucial during the creation of novel nanostructured materials. Herein, ZnO NPs of different sizes were prepared via the pulsed laser ablation in liquid (PLAL) method at energies of 70, 90, and 130 mJ. The morphology and structural properties of the synthesized NPs were characterized by scanning electron microscopy, energy-dispersive X-ray spectrometry, and transmission electron microscopy. zeta-sizer and zeta-potential were used to ensure the physical stability of NPs. UV-Vis spectrophotometry measurement showed a blue shift in the band gaps with an increase in the pulsed laser energy leading to a decrease in the size of the NPs. Fourier-transform infrared spectroscopy technique confirmed the formation of ZnO NPs.
纳米粒子(NPs)由于其高表面体积比和零维限制而广泛应用于探测器,催化,光电子和医疗设备。然而,在创造新型纳米结构材料的过程中,解决环境问题是至关重要的。本文采用脉冲激光烧蚀法(PLAL)在70、90和130 mJ的能量下制备了不同尺寸的ZnO纳米粒子。利用扫描电镜、x射线能谱和透射电镜对合成的NPs进行了形貌和结构表征。采用zeta-size和zeta-potential来保证NPs的物理稳定性。紫外可见分光光度法测量显示,随着脉冲激光能量的增加,带隙出现蓝移,导致NPs尺寸减小。傅里叶变换红外光谱技术证实了ZnO NPs的形成。
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引用次数: 0
Machine learning aided evaluation and design based on polymer membrane materials 基于高分子膜材料的机器学习辅助评估与设计
4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-17 DOI: 10.1080/17458080.2023.2170356
Jianfeng Liao
With the acceleration of the global modern industrialisation process and the increasingly serious environmental problems, the development of low energy consumption, high efficiency electrochemical energy conversion equipment and separation system has become a research hotspot in the scientific and industrial circles. At present, machine learning has become an important research method to explore and expand two-dimensional material family. Traditional experimental and computational methods have low fault tolerance when studying two-dimensional materials, which requires a lot of time and research and development costs. Machine learning, due to its powerful data processing capability and flexible algorithm model, can help reduce the time and cost of discovering and understanding two-dimensional materials, and can effectively predict and expand two-dimensional material systems based on data and explore their potential for experimental synthesis and application. This paper will focus on the methods of machine learning, the exploration of machine learning in 2D material design and synthesis, and the exploration of machine learning in 2D material properties and applications. Finally, this paper uses ML algorithm to test the synthesised polymer. The experimental data points and prediction data points have relatively good consistency with each other, which indicates that ML model can be used as a prediction tool to identify the undeveloped polymer for gas separation.
随着全球现代工业化进程的加快和环境问题的日益严重,开发低能耗、高效率的电化学能量转换设备和分离系统已成为科学界和工业界的研究热点。目前,机器学习已经成为探索和拓展二维材料族的重要研究方法。传统的实验和计算方法在研究二维材料时容错性较低,需要大量的时间和研发成本。机器学习由于其强大的数据处理能力和灵活的算法模型,可以帮助减少发现和理解二维材料的时间和成本,并且可以基于数据有效地预测和扩展二维材料系统,并探索其实验合成和应用的潜力。本文将重点介绍机器学习的方法,机器学习在二维材料设计和合成中的探索,以及机器学习在二维材料特性和应用中的探索。最后,利用ML算法对合成的聚合物进行测试。实验数据点与预测数据点具有较好的一致性,表明ML模型可以作为一种预测工具,对未发育的聚合物进行气体分离识别。
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引用次数: 0
Molecular docking and molecular dynamics simulations reveal the clinical resistance of the gatekeeper mutation V564F of FGFR2 against Infigratinib 分子对接和分子动力学模拟揭示了FGFR2的看门人突变V564F对Infigratinib的临床耐药性
4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-05 DOI: 10.1080/17458080.2023.2264521
Guodong Zheng, Wuxia Liu, Qian Zhang, Tuo Shen, Jingfeng Zhang, Lei Jiang, Wenqi Liang, Bin Zhou, Ling Liu, Shenqian Xu, Minyu Li
Fibroblast growth factor receptor 2 (FGFR2), as a transmembrane receptor tyrosine kinase, is implicated in a plethora of human cancers, including intrahepatic cholangiocarcinomas, breast cancers, and non-small cell lung cancer. The clinically relevant V564F gatekeeper mutation conferred resistance to current FGFR2 drug − Infigratinib. In this study, the protein − ligand interactions between FGFR2 kinase domain (wild-type and V564F) and Infigratinib were compared through an integrated computational method. The multiple, large-scale molecular dynamics (MD) simulations, together with dynamic cross-correlation analysis and binding free energy calculations suggested that the resistant mutation may not trigger the conformational changes of the FGFR2 kinase domain. The simulation results also indicated that the driving force to decrease the binding affinity of Infigratinib to the FGFR2 V564F variant derived from the difference in the protein − ligand hydrogen bonding interactions. Moreover, the per-residue free energy decomposition analysis revealed that the reduced contributions from several residues in the ATP-binding site of FGFR2, especially Glu565 and Ala567 located at the kinase hinge domain, were the key residues responsible for the loss of binding affinity of Infigratinib to the V564F variant. This study may offer useful information for the design of novel selective kinase inhibitors targeting FGFR2.
成纤维细胞生长因子受体2 (FGFR2)作为一种跨膜受体酪氨酸激酶,与多种人类癌症有关,包括肝内胆管癌、乳腺癌和非小细胞肺癌。临床相关的V564F看门人突变赋予了对当前FGFR2药物- Infigratinib的耐药性。在本研究中,通过集成计算方法比较了FGFR2激酶结构域(野生型和V564F)与Infigratinib之间的蛋白-配体相互作用。多重大规模分子动力学(MD)模拟,以及动态相互关联分析和结合自由能计算表明,抗性突变可能不会触发FGFR2激酶结构域的构象变化。模拟结果还表明,Infigratinib与FGFR2 V564F变体结合亲和力降低的驱动力来自于蛋白质-配体氢键相互作用的差异。此外,单残基自由能分解分析显示,FGFR2 atp结合位点的几个残基的贡献减少,特别是位于激酶铰链结构域的Glu565和Ala567,是导致Infigratinib与V564F变体失去结合亲和力的关键残基。该研究可能为设计靶向FGFR2的新型选择性激酶抑制剂提供有用的信息。
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引用次数: 0
Precise construction of Regorafenib-loaded gold nanoparticles: investigation of antiproliferative activity and apoptosis induction in liver cancer cells 瑞非尼负载金纳米颗粒的精确构建:肝癌细胞的抗增殖活性和诱导凋亡的研究
4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-09-11 DOI: 10.1080/17458080.2023.2254006
Meng Yue, Rui Yang, Yakun Jiang, Xiuhua Yang
Regorafenib (Reg) inhibits the growth of liver cancer cells in vitro and animal model. However, due to its poor bioavailability, its potential as a chemopreventive or therapeutic drug is severely restricted. In this work, we developed two environmentally friendly delivery systems by synthesizing Regorafenib-gold nanoparticles conjugates Reg@GNPs1 and Reg@GNPs2, employing a dual role of Reg to reduce Au3+ and stabilize the synthesized GNPs. UV-Vis’s spectroscopy, Fourier transform infrared spectroscopy, and Powder-XRD verified the fabrication of Reg@GNPs. Reg@GNPs1 and Reg@GNPs2 were both found to be spherical and uniform in size (10 ± 2 and 2 ± 33 nm, respectively) using transmission electron microscopy. Similar negative zeta potential (−35.0 ± 2.5 and −37.0 ± 1.6 mV) was observed by dynamic light scattering analysis, even though the hydrodynamic diameter of the nanoconjugates ranged from 65.0 ± 1.7 to 153.0 ± 2.2 nm. Reg@GNPs1 and Reg@GNPs2 were calculated to have a Reg loading of 46% and 48%, respectively. Selectivity towards the non-cancerous cell line (L929) cells, whereas the MTT assay in vitro showed the antiproliferative effects of Reg@GNPs on three liver carcinoma (Hep3B, BEL7402, and HepG2) cell lines. Several fluorescent staining techniques were used to examine liver cancer cell morphology. Flow cytometric analysis confirmed that the effects of the superior Reg@GNPs nanoconjugate on cell proliferation than free Reg. In conclusion, the acquired results show that the novel synthesized GNPs loaded with Reg are stable as an anticancer agent, with minimal toxicity against non-cancerous cells, as determined by cytotoxicity and IC50 evaluations.
瑞非尼(Regorafenib, Reg)在体外和动物模型中抑制肝癌细胞的生长。然而,由于其生物利用度差,其作为化学预防或治疗药物的潜力受到严重限制。在这项工作中,我们通过合成Regorafenib-gold纳米粒子缀合物Reg@GNPs1和Reg@GNPs2开发了两种环境友好的递送系统,利用Reg的双重作用来减少Au3+并稳定合成的GNPs。紫外可见光谱、傅里叶变换红外光谱和粉末xrd验证了Reg@GNPs的制备。通过透射电镜观察,Reg@GNPs1和Reg@GNPs2均为球形,尺寸均匀(分别为10±2 nm和2±33 nm)。尽管纳米共轭物的水动力直径在65.0±1.7 ~ 153.0±2.2 nm之间,但通过动态光散射分析,观察到相似的负zeta电位(- 35.0±2.5和- 37.0±1.6 mV)。计算得出Reg@GNPs1和Reg@GNPs2的Reg加载分别为46%和48%。对非癌细胞系(L929)细胞的选择性,而体外MTT实验显示Reg@GNPs对三种肝癌细胞系(Hep3B, BEL7402和HepG2)具有抗增殖作用。采用多种荧光染色技术检测肝癌细胞形态。流式细胞分析证实,优越的Reg@GNPs纳米偶联物对细胞增殖的影响比自由的Reg。综上所述,通过细胞毒性和IC50评价表明,新合成的负载Reg的GNPs作为抗癌剂是稳定的,对非癌细胞的毒性很小。
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引用次数: 0
Dillenia indica bark extract mediated bio-fabrication of copper nanoparticles: characterisation, antioxidant and anticancer activity in vitro 洋地黄皮提取物介导的纳米铜的生物制备:表征、抗氧化和抗癌活性
IF 2.8 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-08-26 DOI: 10.1080/17458080.2023.2249241
Larica Mohanta, B. S. Jena
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引用次数: 0
Sustainable mechanical properties evaluation for graphene reinforced Epoxy/Kevlar fiber using MD simulations 基于MD模拟的石墨烯增强环氧树脂/凯夫拉纤维可持续力学性能评价
IF 2.8 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-08-25 DOI: 10.1080/17458080.2023.2246662
N. Chaudhary, Mithilesh K. Dikshit, C. L. Kumar, Pankaj Sonia, V. Pathak, K. K. Saxena, S. S. Hamid, N. U. Salmaan
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引用次数: 1
One-pot construction of gemcitabine loaded zeolitic imidazole framework for the treatment of lung cancer and its apoptosis induction 吉西他滨负载沸石咪唑治疗肺癌的单点构建及其诱导细胞凋亡
IF 2.8 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-08-12 DOI: 10.1080/17458080.2023.2241997
Zhan Li, Tiantian Du, Wen Yang, S. Yi, Na Zhang
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引用次数: 0
Facile engineering of chitosan-coated aminopterin loaded zeolitic imidazolate framework: promising drug delivery system for breast cancer 壳聚糖-氨基蝶呤负载沸石-咪唑酸盐框架的简易工程化:乳腺癌症有前途的药物递送系统
IF 2.8 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-08-08 DOI: 10.1080/17458080.2023.2238129
Limin Zhu, Shuangyan Wang
{"title":"Facile engineering of chitosan-coated aminopterin loaded zeolitic imidazolate framework: promising drug delivery system for breast cancer","authors":"Limin Zhu, Shuangyan Wang","doi":"10.1080/17458080.2023.2238129","DOIUrl":"https://doi.org/10.1080/17458080.2023.2238129","url":null,"abstract":"","PeriodicalId":15673,"journal":{"name":"Journal of Experimental Nanoscience","volume":" ","pages":""},"PeriodicalIF":2.8,"publicationDate":"2023-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42836309","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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Journal of Experimental Nanoscience
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