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Study on preparation and performance of bagasse/sodium carboxymethyl cellulose gel for inhibiting coal spontaneous combustion 用于抑制煤炭自燃的甘蔗渣/羧甲基纤维素钠凝胶的制备和性能研究
IF 5.3 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-09-26 DOI: 10.1016/j.arabjc.2024.105991
Xiaowei Geng , Yuanyuan Feng , Yinhui Wang , Hemeng Zhang , Yujiao Liu , Ke Gao
In order to effectively prevent and control coal spontaneous combustion and improve the safety of coal mining, bagasse carboxymethy cellulose (BCC) prepared from bagasse (BS) and sodium carboxymethyl cellulose (CMC) were used as the substrates. A gel (BCC-CMC) for inhibiting coal spontaneous combustion was prepared using a chemical crosslinking method involving zirconium citrate crosslinking and glucono-delta-lactone (GDL) modification. X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy were utilized to characterize both the crystal and molecular structure of bagasse and its derived bagasse carboxymethyl cellulose. The results indicated that new carboxymethyl groups were introduced into bagasse during the treatment, facilitating the successful extraction and preparation of sodium carboxymethyl cellulose. The results of viscosity and bonding tests demonstrated that the concentration and dosage of CMC had the most significant influence on the gel viscosity, which remained higher and more stable at room temperature. The coal bonded by the gel coal mixture can effectively seal surface cracks, with a bonding degree of up to 70.72 %. TG-DTG, temperature-programmed oxidation experiment and FTIR analyses revealed that, compared to raw coal, coal samples treated with gel exhibited improved stability, fewer active groups, and fewer oxygen-containing functional groups, effectively inhibiting coal’s low temperature oxidation and reducing the risk of spontaneous combustion. The gel is environmentally friendly, cost-effective, and exhibits good flame retardant properties. This study is of great significance for preventing and controlling coal spontaneous combustion, effectively ensuring the safe production of coal resources and the safety of mine workers, achieving the green sustainable development of the mine.
为了有效预防和控制煤炭自燃,提高煤炭开采的安全性,以甘蔗渣(BS)制备的甘蔗渣羧甲基纤维素(BCC)和羧甲基纤维素钠(CMC)为基质。采用柠檬酸锆交联和葡萄糖醛酸-δ-内酯(GDL)改性的化学交联方法制备了用于抑制煤炭自燃的凝胶(BCC-CMC)。利用 X 射线衍射 (XRD) 和傅立叶变换红外光谱 (FTIR) 表征了蔗渣及其衍生蔗渣羧甲基纤维素的晶体和分子结构。结果表明,蔗渣在处理过程中引入了新的羧甲基基团,有助于成功提取和制备羧甲基纤维素钠。粘度和粘合试验结果表明,CMC 的浓度和用量对凝胶粘度的影响最大,在室温下,凝胶粘度仍较高且较为稳定。凝胶煤混合物粘结的煤能有效密封表面裂缝,粘结度高达 70.72%。TG-DTG、温度编程氧化实验和傅立叶变换红外分析表明,与原煤相比,经过凝胶处理的煤样稳定性更好,活性基团更少,含氧官能团更少,能有效抑制煤的低温氧化,降低自燃风险。这种凝胶对环境友好,成本低廉,具有良好的阻燃性能。该研究对于预防和控制煤炭自燃,有效保障煤炭资源安全生产和煤矿工人安全,实现煤矿绿色可持续发展具有重要意义。
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引用次数: 0
Machine learning approaches in designing anti-HIV nitroimidazoles: 2D/3D QSAR, kNN-MFA, docking, dynamics, PCA analysis and MMGBSA studies 设计抗艾滋病毒硝基咪唑的机器学习方法:二维/三维 QSAR、kNN-MFA、对接、动力学、PCA 分析和 MMGBSA 研究
IF 5.3 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-09-25 DOI: 10.1016/j.arabjc.2024.105995
Momin Ziyaul-Haque , Rashid Ayub , Mohd Usman Mohd Siddique , Amit Gangwal , Azim Ansari , Mudassar Shahid , Yogeeta O. Agrawal , Tasneem Khan
In this study, newly synthesized 20 nitroimidazole derivatives were subjected to 2D and 3D Quantitative Structure-Activity Relationship (QSAR) study to investigate their anti-HIV activity against both ROD and IIIB strains. Later, proposed hypothesis was virtually proved by further in-silico studies. In statistically significant 2D-QSAR models r2 values for IIIB strains 0.9241 and for ROD strains 0.9412 with corresponding q2 values of 0.7706 and 0.8299, were obtained, respectively. Different models were constructed using three different kNN-MFA 3D QSAR approaches such as SW-FB, SA score, and GA. By using the generated hypothesis, newer analogues of nitroimidazole derivatives was designed and molecular modelling studies were conducted to prove the hypothesis. The three molecules were displayed the good docking scores compared to the reference molecule. The stabilities of docked complexes were analyzed by MD simulations and MMGB/SA calculations. These results offer insightful design guidance for novel anti-HIV compounds synthesis and suggest interesting directions for future pharmaceutical research.
本研究对新合成的 20 种硝基咪唑衍生物进行了二维和三维定量结构-活性关系(QSAR)研究,以考察它们对 ROD 和 IIIB 菌株的抗艾滋病毒活性。随后,进一步的室内研究实际上证明了提出的假设。在具有统计学意义的二维 QSAR 模型中,IIIB 菌株的 r2 值为 0.9241,ROD 菌株的 r2 值为 0.9412,相应的 q2 值分别为 0.7706 和 0.8299。使用 SW-FB、SA score 和 GA 等三种不同的 kNN-MFA 3D QSAR 方法构建了不同的模型。利用生成的假说,设计了硝基咪唑衍生物的新类似物,并进行了分子建模研究以证明假说。与参考分子相比,这三种分子的对接得分都很高。通过 MD 模拟和 MMGB/SA 计算分析了对接复合物的稳定性。这些结果为新型抗艾滋病毒化合物的合成提供了具有洞察力的设计指导,并为未来的药物研究提出了有趣的方向。
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引用次数: 0
Fast thermo-responsive thermoset self-healing polymers based on bio-derived Benzoxazine/Epoxidized castor oil copolymers for coating applications 基于生物衍生苯并恶嗪/环氧化蓖麻油共聚物的快速热响应热固性自愈合聚合物的涂料应用
IF 5.3 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-09-21 DOI: 10.1016/j.arabjc.2024.106005
Phattarin Mora , Sarawut Rimdusit , Chanchira Jubsilp
This work emphasized on development of a novel bio-derived self-healing copolymer fabricated from benzoxazine and epoxy resins by varying weight ratios. The bio-derived benzoxazine (E-fa) acted as a healing agent was copolymerized with bio-derived epoxy resin namely epoxidized castor oil (ECO). Three main essential properties of the developed copolymer were systematically investigated: thermal property, mechanical property, and self-healing capacity. The numerical simulation was also used to study and predict the ability of roof coatings based on the developed copolymers. The results showed that the reversible crosslinking reaction occurred and resulted in state transition of the copolymers. The mechanical property i.e., tensile strength and peel strength to stainless steel substrate, were substantially improved with the incorporation of ECO. The increase in E-fa contents can enhance the thermos-responsive healing performance of the copolymers up to 93% via reversible reactions with rapid surface damage healed within 2 min. Furthermore, the experimental and numerical results revealed that the thermo-responsive thermoset self-healing bio-derived benzoxazine/epoxy copolymers have a potential use in coating applications required fast self-healing performance and good mechanical properties.
这项工作的重点是开发一种新型生物自愈合共聚物,该共聚物由不同重量比的苯并恶嗪和环氧树脂制成。作为愈合剂的生物萃取苯并恶嗪(E-fa)与生物萃取环氧树脂(即环氧化蓖麻油(ECO))共聚。系统研究了所开发共聚物的三大基本特性:热特性、机械特性和自愈能力。此外,还利用数值模拟来研究和预测基于所开发共聚物的屋顶涂料的性能。结果表明,共聚物发生了可逆交联反应,并导致了状态转变。加入 ECO 后,共聚物的机械性能,即对不锈钢基材的拉伸强度和剥离强度得到了大幅提高。通过可逆反应,E-fa 含量的增加可使共聚物的热响应愈合性能提高 93%,表面损伤可在 2 分钟内迅速愈合。此外,实验和数值结果表明,热响应热固性自愈合生物衍生苯并恶嗪/环氧共聚物可用于要求快速自愈合性能和良好机械性能的涂料应用领域。
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引用次数: 0
Pyroelectric field drived photocatalysis by ZnFe2O4/NaNbO3 heterojunction for dye degradation through integration of solar and thermal energy 热电场驱动 ZnFe2O4/NaNbO3 异质结进行光催化,通过整合太阳能和热能降解染料
IF 5.3 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-09-18 DOI: 10.1016/j.arabjc.2024.105996
Di Zhou , Xiaoju Zhou , Zhenglong Hu , Lili Zheng , Yu Tian , Yafang Tu , Chunbo Hua , Li Xue , Juan Xiong

A novel composite of ZnFe2O4/NaNbO3 (ZFO/NNO) nanorods with a p-n heterojunction structure was successfully synthesized via the hydrothermal method. The NNO nanorods were heated in situ using the photothermal effect of ZFO and subsequently cooled to room temperature, creating a cyclic heating and cooling process for ZFO/NNO. The catalytic activity of the resulting nanorods was assessed through the degradation of Rhodamine B, reaching 98% degradation efficiency after 180 min, attributed to the synergistic effect of pyrocatalysis and photocatalysis. Compared with NNO and ZFO individually, the enhanced performance of ZFO/NNO can be attributed to several synergistic factors, including the expanded spectral range of light absorption for ZFO, the establishment of the built-in electric field of the p-n junction between ZFO and NNO, and the NNO pyroelectric effect that further improved the charge transfer efficiency. Superoxide radicals and holes generated from photo-induced electrons were identified as the active species. Hydroxyl radicals generated from pyroelectrically-induced charge also participated in catalytic reaction. The combined effect of pyroelectric and photocatalytic processes could significantly improve the coupled pyro-photocatalytic reaction for pyroelectric semiconductor heterostructure, enabling the utilization of multiple energy sources, including solar and thermal energy.

通过水热法成功合成了具有 p-n 异质结结构的新型 ZnFe2O4/NaNbO3 纳米棒(ZFO/NNO)复合材料。利用 ZFO 的光热效应对 NNO 纳米棒进行原位加热,然后冷却至室温,形成了 ZFO/NNO 的循环加热和冷却过程。通过降解罗丹明 B 评估了所制备纳米棒的催化活性,180 分钟后降解效率达到 98%,这归功于热催化和光催化的协同效应。与单独的 NNO 和 ZFO 相比,ZFO/NNO 性能的提高可归因于几个协同因素,包括 ZFO 光吸收光谱范围的扩大、ZFO 和 NNO 之间 p-n 结内置电场的建立,以及 NNO 热释电效应进一步提高了电荷转移效率。光诱导电子产生的超氧自由基和空穴被确定为活性物种。热释电诱导电荷产生的羟自由基也参与了催化反应。热释电和光催化过程的联合效应可显著改善热释电半导体异质结构的热释电-光催化耦合反应,从而实现对包括太阳能和热能在内的多种能源的利用。
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引用次数: 0
Fabrication of boron nitride/copper oxide@multi-walled carbon nanotubes composites for enhancing heat transfer and photothermal conversion of phase change materials 制备氮化硼/氧化铜@多壁碳纳米管复合材料,以增强相变材料的传热和光热转换能力
IF 5.3 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-09-18 DOI: 10.1016/j.arabjc.2024.105997
Weifang Han , Deyi Liu , Guoliang Wang , Suliang Li , En You , Zhengfeng Jia , Yuchao Li

To realize the efficient storage and conversion of solar energy by phase change materials (PCMs), low photothermal conversion efficiency and poor heat transfer performance remain great challenges. Herein, polyethylene glycol (PEG)-based composite PCMs with excellent photothermal conversion performance and exceptional thermal management capability were obtained by using boron nitride/copper oxide@multi-walled carbon nanotubes (BN/CuO@MWCNTs) as the thermal conductive and photothermal conversion enhancement fillers. The results indicate that owing to the bridging effect, the introduction of CuO and MWCNTs on the BN surface can construct additional heat transfer paths, resulting in a high thermal conductivity of up to 2.35 W/(m·K) for the as-prepared PEG/BN/CuO@MWCNTs composite, which is about 9-folds enhancement than pristine PEG. Simultaneously, the supercooling degree of PEG in PEG/BN/CuO@MWCNTs is effectively suppressed due to the synergistic nucleation effect of BN, CuO and MWCNTs. Additionally, the PEG/BN/CuO@MWCNTs composites not only exhibit a high latent-heat capacity of 154.5 J/g and a high photothermal conversion efficiency of 92.2 %, but also show favorable shape stability and durable reliability. This work offers a workable solution for the synergistic enhancement of photothermal conversion and thermal management, which can effectively promote the practical application in solar energy conversion and storage.

要利用相变材料(PCMs)实现太阳能的高效储存和转换,光热转换效率低和传热性能差仍然是巨大的挑战。本文以氮化硼/氧化铜@多壁碳纳米管(BN/CuO@MWCNTs)作为导热和光热转换增强填料,获得了具有优异光热转换性能和热管理能力的聚乙二醇(PEG)基复合 PCM。结果表明,由于桥接效应,在 BN 表面引入 CuO 和 MWCNTs 可以构建额外的传热路径,从而使制备的 PEG/BN/CuO@MWCNTs 复合材料的导热系数高达 2.35 W/(m-K),是原始 PEG 的 9 倍。同时,由于 BN、CuO 和 MWCNTs 的协同成核效应,PEG/BN/CuO@MWCNTs 中 PEG 的过冷度得到了有效抑制。此外,PEG/BN/CuO@MWCNTs 复合材料不仅具有 154.5 J/g 的高潜热能力和 92.2 % 的高光热转换效率,还具有良好的形状稳定性和持久可靠性。这项工作为协同增强光热转换和热管理提供了可行的解决方案,可有效促进太阳能转换和储存的实际应用。
{"title":"Fabrication of boron nitride/copper oxide@multi-walled carbon nanotubes composites for enhancing heat transfer and photothermal conversion of phase change materials","authors":"Weifang Han ,&nbsp;Deyi Liu ,&nbsp;Guoliang Wang ,&nbsp;Suliang Li ,&nbsp;En You ,&nbsp;Zhengfeng Jia ,&nbsp;Yuchao Li","doi":"10.1016/j.arabjc.2024.105997","DOIUrl":"10.1016/j.arabjc.2024.105997","url":null,"abstract":"<div><p>To realize the efficient storage and conversion of solar energy by phase change materials (PCMs), low photothermal conversion efficiency and poor heat transfer performance remain great challenges. Herein, polyethylene glycol (PEG)-based composite PCMs with excellent photothermal conversion performance and exceptional thermal management capability were obtained by using boron nitride/copper oxide@multi-walled carbon nanotubes (BN/CuO@MWCNTs) as the thermal conductive and photothermal conversion enhancement fillers. The results indicate that owing to the bridging effect, the introduction of CuO and MWCNTs on the BN surface can construct additional heat transfer paths, resulting in a high thermal conductivity of up to 2.35 W/(m·K) for the as-prepared PEG/BN/CuO@MWCNTs composite, which is about 9-folds enhancement than pristine PEG. Simultaneously, the supercooling degree of PEG in PEG/BN/CuO@MWCNTs is effectively suppressed due to the synergistic nucleation effect of BN, CuO and MWCNTs. Additionally, the PEG/BN/CuO@MWCNTs composites not only exhibit a high latent-heat capacity of 154.5 J/g and a high photothermal conversion efficiency of 92.2 %, but also show favorable shape stability and durable reliability. This work offers a workable solution for the synergistic enhancement of photothermal conversion and thermal management, which can effectively promote the practical application in solar energy conversion and storage.</p></div>","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"17 11","pages":"Article 105997"},"PeriodicalIF":5.3,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S187853522400399X/pdfft?md5=5803f172eeea4264663d5729d6233e3a&pid=1-s2.0-S187853522400399X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142271510","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Pesticide residues and associated health effects in marketed fruits in Saudi Arabia 沙特阿拉伯市售水果中的农药残留及其对健康的影响
IF 5.3 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-09-17 DOI: 10.1016/j.arabjc.2024.105993
Majed S. Alokail , Manal E.A. Elhalwagy , Sherif H. Abd-Alrahman , Abdullah M. Alnaami , Syed D. Hussain , Osama E. Amer , Shaun Sabico , Nasser M. Al-Daghri

Aim

This study evaluated the pesticide residues in some fruits collected from different markets in Saudi Arabia (SA) and determined potential health risks associated with them.

Methods

Concentrations of pesticide residues in 12 types of fruits from local markets in SA from 2020 to 2022 were collected and evaluated. Multiple residue extraction method QuEChERS followed by LC-MS/MS and GC–MS/MS, were used to analyze 161 samples.

Results

Only 10 out of 161 samples (6.2 %) were free of pesticides. A total of 132 (87.4 %) pesticide residues were below MRLs, with 19 (12 %) of samples exceeding MRLs. Detected pesticide residues belonged to different chemical classes of pesticides including organophosphates, pyrethroids, organochlorines, neonicotinoids and fungicides. Risk assessment of human exposure to pesticides via the intake of the fruit types was performed. Hazard index (HI) for most fruit types were found to be less than 1. Oranges, grapes and pomegranates were the most consumed fruit types (31.6 g/day,15.8 g/day,10.8 g/day) and were contaminated with pesticide residues. Fluopyram, imazalil, chlorpyrifos, finamiphos and indoxacarb had HIs (1.32, 2.76,3.6,3.6,1.5) showed high risk index suggesting risk for systemic toxicity in consumers dependent on the amount of consumption.

Conclusion

In summary, high detection rate of pesticide residues was found in different fruits sold in local markets in SA. Regular biomonitoring programs for food crops in SA markets should be enforced, particularly in identified crops with His >1 to increase food safety within the SA community.

本研究评估了从沙特阿拉伯(Saudi Arabia,SA)不同市场收集的一些水果中的农药残留,并确定了与之相关的潜在健康风险。结果在 161 个样品中,只有 10 个样品(6.2%)不含农药。共有 132 个样本(87.4%)的农药残留量低于最高残留限量,19 个样本(12%)的农药残留量超过了最高残留限量。检测到的残留除害剂属于不同化学类别的除害剂,包括有机磷类、拟除虫菊酯类、有机氯类、新烟碱类和杀菌剂。对人类通过摄入这些水果接触农药的风险进行了评估。结果发现,大多数水果种类的危害指数(HI)小于 1。橘子、葡萄和石榴是食用量最大的水果种类(分别为 31.6 克/天、15.8 克/天和 10.8 克/天),并受到农药残留的污染。氟吡草胺、咪鲜胺、毒死蜱、氟虫腈和茚虫威的 HI 值(1.32、2.76、3.6、3.6、1.5)显示出较高的风险指数,表明消费者的系统毒性风险取决于食用量。为提高南澳大利亚社区的食品安全,应定期对南澳大利亚市场上的粮食作物实施生物监测计划,尤其是已确定为 His >1 的作物。
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引用次数: 0
Enhanced sonophoto-catalytic and adsorption capabilities of Fe3O4@MC/MWCNT-CuO/Ag for petrochemical organic pollutants degradation from industrial process streams 增强 Fe3O4@MC/MWCNT-CuO/Ag 的声光催化和吸附能力,用于降解工业工艺流程中的石化有机污染物
IF 5.3 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-09-16 DOI: 10.1016/j.arabjc.2024.105994
Saeed Rajabi , Hassan Hashemi , Mohammad Reza Samaei , Alireza Nasiri , Abooalfazl Azhdarpoor , Saeed Yousefinejad

To address the problem of petrochemical organic pollutants in water, specifically monoethylene glycol (MEG) present in industrial process streams, in this research, we synthesized and evaluated a multifunctional nanocomposite, Fe3O4@MC/MWCNT-CuO/Ag. The nanocomposite was produced by combining magnetic Fe3O4 nanoparticles, methylcellulose (MC), multi-walled carbon nanotubes (MWCNTs), and CuO/Ag nanoparticles by an integrated synthesis process. A consistent dispersion of nanoparticles, with diameters ranging from 30-40 nm, was discovered by FESEM analysis, showing effective integration without aggregation. Effective synthesis was demonstrated by well-doped and evenly dispersed CuO and Ag nanoparticles. Functional groups that improve electrostatic interactions with contaminants hence enhancing catalytic performance and adsorption efficiency, were validated by FTIR analysis. XRD indicated an unchanged crystal structure with an average crystallite size of 8.67 nm. The anticipated elemental composition was verified by EDS & mapping. A VSM study revealed magnetic characteristics (9.33 emu/g) that simplify nanocomposite separation and reuse. TGA proved thermal stability to be up to 600 °C. A BET study showed a highly specific surface area of 67.661 m2/g, enhancing adsorption. According to DRS and PL studies, the bandgap was lowered by 1.31 eV, which led to better optical absorption. The nanocomposite exhibited notable MEG removal efficiency, with 72 % in adsorption, 65 % in photocatalysis, and 56 % in sonocatalysis. This makes it a promising alternative for the remediation of organic pollutants in water treatment.

为了解决水中的石化有机污染物问题,特别是工业工艺流程中的单甘醇(MEG),我们在本研究中合成并评估了一种多功能纳米复合材料--Fe3O4@MC/MWCNT-CuO/Ag。该纳米复合材料由磁性 Fe3O4 纳米粒子、甲基纤维素(MC)、多壁碳纳米管(MWCNT)和 CuO/Ag 纳米粒子通过集成合成工艺制成。通过 FESEM 分析发现,纳米粒子的分散一致,直径在 30-40 纳米之间,显示出有效的整合,没有聚集现象。掺杂良好、分散均匀的氧化铜和银纳米粒子证明了合成的有效性。傅立叶变换红外光谱分析证实,功能基团可改善与污染物的静电相互作用,从而提高催化性能和吸附效率。XRD 显示晶体结构不变,平均结晶尺寸为 8.67 nm。EDS & mapping 验证了预期的元素组成。VSM 研究显示,磁性特征(9.33 emu/g)简化了纳米复合材料的分离和再利用。TGA 证明热稳定性高达 600 °C。BET 研究表明,纳米复合材料具有 67.661 m2/g 的高比表面积,从而增强了吸附性。根据 DRS 和 PL 研究,带隙降低了 1.31 eV,从而提高了光吸收效果。该纳米复合材料具有显著的 MEG 去除效率,吸附效率为 72%,光催化效率为 65%,声催化效率为 56%。这使它成为水处理中修复有机污染物的一种很有前途的选择。
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引用次数: 0
Electrodeposited zinc oxide nanoparticles: Synthesis, characterization, and anti-cervical cancer effects 电沉积氧化锌纳米粒子:合成、表征和抗宫颈癌效果
IF 5.3 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-09-15 DOI: 10.1016/j.arabjc.2024.105992
Yingying Chen , Xinxin You , Liya Ye , Shuangshuang Mei , Junhui Yu , Youyou Xie , Kai Wang , Xing Chen
In the present study, zinc oxide nanoparticles (ZnO NPs) were synthesized via the electrodeposition method and characterized. Then, the anticancer effects of ZnO NPs against cervical cancer HeLa cells were assessed by cell viability, oxidative stress, caspase activity, qRT-PCR, MMP, and ELISA assays. XRD analysis revealed the hexagonal wurtzite phase of ZnO. SEM image of ZnO NPs showed the homogeneous spherical/hexagonal-like structures of ZnO NPs, while TEM imaging revealed the successful synthesis of ZnO NPs with an average diameter of about 8 nm. The UV–vis absorption spectrum of ZnO NPs showed a characteristic absorption band around the wavelength of 368 nm with a band gap energy (Eg) of 3.36 eV. DLS study displayed that the obtained particle size of ZnO NPs has an average size of 29.24 nm and an average zeta potential value of −19 mV. Additionally, cellular findings indicated that the proliferation of cervical cancer HeLa cells was markedly mitigated after incubation with ZnO NPs at different concentrations of 10, 50 and 100 µg/ml, however, these concentrations were not able to trigger an apparent cytotoxic effect on HUVEC non-malignant cells. Also, it was detected that ZnO NPs led to overexpression of Bax/ Bcl-2, caspase-9/-3 genes, increased level of caspase-9/-3 activity, overproduction of MDA level, inhibition of SOD and CAT activity and reduction of GSH content, MMP collapse, and upregulation of cytoplasmic cytochrome c release. In general, these findings suggested that electrodeposited synthesized ZnO NPs can induce anticancer effects in cervical cancer HeLa cells through the mitochondrial-mediated apoptosis signaling pathway.
本研究通过电沉积法合成了氧化锌纳米颗粒(ZnO NPs),并对其进行了表征。然后,通过细胞活力、氧化应激、caspase 活性、qRT-PCR、MMP 和 ELISA 检测评估了 ZnO NPs 对宫颈癌 HeLa 细胞的抗癌作用。XRD 分析显示 ZnO 为六方菱面体相。ZnO NPs 的 SEM 图像显示 ZnO NPs 呈均匀的球形/六角形结构,而 TEM 图像显示成功合成了平均直径约为 8 纳米的 ZnO NPs。ZnO NPs 的紫外-可见吸收光谱在波长 368 纳米附近显示出特征吸收带,带隙能 (Eg) 为 3.36 eV。DLS 研究显示,所获得的 ZnO NPs 的平均粒径为 29.24 nm,平均 zeta 电位值为 -19 mV。此外,细胞研究结果表明,用 10、50 和 100 µg/ml 不同浓度的氧化锌氮氧化物培养宫颈癌 HeLa 细胞后,其增殖明显减弱,但这些浓度的氧化锌氮氧化物无法对 HUVEC 非恶性细胞产生明显的细胞毒性作用。研究还发现,氧化锌纳米粒子导致 Bax/ Bcl-2、caspase-9/-3 基因过度表达,caspase-9/-3 活性水平升高,MDA 水平过高,SOD 和 CAT 活性受到抑制,GSH 含量降低,MMP 崩溃,细胞质细胞色素 c 释放上调。总之,这些研究结果表明,电沉积合成的氧化锌纳米粒子可通过线粒体介导的凋亡信号通路诱导宫颈癌 HeLa 细胞产生抗癌作用。
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引用次数: 0
Bioinformatical and experimental validation on EFNA5 biomarker for pancreatic cancer 胰腺癌 EFNA5 生物标志物的生物信息学和实验验证
IF 5.3 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-09-13 DOI: 10.1016/j.arabjc.2024.105990
Ze Hua , Rongshuang Zhao , Wenbo Guan , Siya Liu , Jurui Ge , Yiran Zhang , Suliman Khan , Zhenjie Pan , Jian Wang
<div><div>Pancreatic cancer is one of the most aggressive malignancies in the digestive system, characterized by vague early symptoms and rapid disease progression. Currently, treatment options for pancreatic cancer are limited, with unsatisfactory outcomes and poor prognosis, as the overall 5-year survival rate is less than 10%. Therefore, it is crucial to identify new biomarkers for pancreatic cancer.</div><div>We analyzed the differential expression of EFNA5 at the mRNA level using data from the TCGA, GTEX, and GEO databases, followed by validation of EFNA5 protein expression differences through immunohistochemistry. Kaplan-Meier survival analysis and Cox regression analysis were used to explore the prognostic value of EFNA5. KEGG, GO enrichment analyses, and GSEA were employed to predict the biological functions of EFNA5. Bioinformatics algorithms were utilized to analyze the impact of EFNA5 on drug sensitivity, immune cell infiltration, and tumor mutational burden. Finally, we conducted cell phenotype experiments to investigate the effects of EFNA5 on the proliferation, migration, and invasion of pancreatic cancer cells. Bioinformatics data showed that the mRNA level of EFNA5 was higher in pancreatic cancer tissues compared to normal tissues. Immunohistochemistry experiments confirmed that the protein expression level of EFNA5 was significantly higher in pancreatic cancer tissues (n = 19) than in adjacent normal tissues (n = 19). Survival analysis indicated that the overall survival (OS) and progression-free survival (PFS) were worse in the high EFNA5 expression group compared to the low expression group. Univariate and multivariate Cox regression analyses demonstrated that EFNA5 is a risk factor affecting the prognosis of pancreatic cancer patients. KEGG pathway enrichment analysis revealed that differentially expressed genes (DEGs) between high and low EFNA5 expression groups were primarily enriched in pathways such as PI3K/Akt, axon guidance, and focal adhesion. GO enrichment analysis showed that DEGs were mainly associated with functions like epidermis development, cell adhesion, and intercellular junctions. Immune cell infiltration analysis found that EFNA5 expression was correlated with the infiltration levels of various immune cells. The tumor mutational burden was higher in the high EFNA5 expression group compared to the low expression group. Drug sensitivity analysis indicated that the high EFNA5 expression group had lower sensitivity to several commonly used chemotherapy drugs for pancreatic cancer. Cellular experiments demonstrated that knocking down EFNA5 inhibited the proliferation, invasion, and migration of pancreatic cancer cells. EFNA5 is overexpressed in pancreatic cancer tissues, and its high expression is associated with poor prognosis in pancreatic cancer patients. Downregulation of EFNA5 reduces the proliferation, migration, and invasion capabilities of the pancreatic cancer cell line BxPC-3. EFNA5 is closely related to
胰腺癌是消化系统中最具侵袭性的恶性肿瘤之一,其特点是早期症状模糊,病情发展迅速。目前,胰腺癌的治疗方案有限,疗效不理想,预后差,5 年总生存率不到 10%。我们利用 TCGA、GTEX 和 GEO 数据库的数据分析了 EFNA5 在 mRNA 水平上的差异表达,然后通过免疫组化验证了 EFNA5 蛋白表达的差异。Kaplan-Meier生存分析和Cox回归分析用于探讨EFNA5的预后价值。利用KEGG、GO富集分析和GSEA来预测EFNA5的生物学功能。利用生物信息学算法分析了 EFNA5 对药物敏感性、免疫细胞浸润和肿瘤突变负荷的影响。最后,我们进行了细胞表型实验,研究 EFNA5 对胰腺癌细胞增殖、迁移和侵袭的影响。生物信息学数据显示,与正常组织相比,胰腺癌组织中 EFNA5 的 mRNA 水平较高。免疫组化实验证实,胰腺癌组织(n = 19)中 EFNA5 蛋白表达水平明显高于邻近的正常组织(n = 19)。生存分析表明,与低表达组相比,EFNA5高表达组的总生存期(OS)和无进展生存期(PFS)更差。单变量和多变量Cox回归分析表明,EFNA5是影响胰腺癌患者预后的一个危险因素。KEGG通路富集分析显示,EFNA5高表达组和低表达组之间的差异表达基因(DEGs)主要富集在PI3K/Akt、轴突导向和病灶粘附等通路中。GO富集分析表明,DEGs主要与表皮发育、细胞粘附和细胞间连接等功能有关。免疫细胞浸润分析发现,EFNA5的表达与各种免疫细胞的浸润水平相关。与低表达组相比,高 EFNA5 表达组的肿瘤突变负荷更高。药物敏感性分析表明,EFNA5高表达组对几种常用的胰腺癌化疗药物的敏感性较低。细胞实验表明,敲除 EFNA5 可抑制胰腺癌细胞的增殖、侵袭和迁移。EFNA5 在胰腺癌组织中过表达,它的高表达与胰腺癌患者的不良预后有关。下调 EFNA5 可降低胰腺癌细胞系 BxPC-3 的增殖、迁移和侵袭能力。EFNA5 与胰腺癌的发生、发展、预后、免疫浸润和药物敏感性密切相关。我们的研究表明 EFNA5 是一种潜在的生物标记物和治疗靶点。
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引用次数: 0
Copolymerization of ethylene and isoprene initiated by metallocene catalyst 茂金属催化剂引发的乙烯和异戊二烯共聚反应
IF 5.3 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-09-12 DOI: 10.1016/j.arabjc.2024.105989
Amjad Ali , Muhammad Nadeem , Ahmad Naveed , Jamile Mohammadi Moradian , Syed Najeeb-Uz-Zaman Haider , Shahid Khan , Adnan Murad Bhayo , Jianwei Lu , Rai Nauman Ali , Naushad Ahmad , Fan Zhiqiang , Li Guo

In this study, we explore the dynamic nature of metallocene catalysts during ethylene/isoprene E/IP) copolymerization, with a focus on the influence of various reaction parameters. Challenges, why do olefinic catalysts show lower activity and molecular weight (Mw) at higher temperatures and low activity with higher diene content? Firstly, we investigate the observed phenomena of decreased catalyst activity and Mw at elevated temperatures using 1.25 μmole of the metallocene. Notably, a substantial increase in active sites from 30 °C to 40 °C, reaching a peak of 89 %. Surprisingly, further temperature increments lead to a noticeable decline in active sites. At 30 °C, the active site primarily engages in the insertion of IP through 3,4 connections, with no detectable cis-1,4 or trans-1,4 connections, which suggests a lack of stereoselectivity at this temperature. At 40–50°C, cis/trans-1,4 connections and active sites are approaching a higher level. This implies a reduction in chain transfer reactions, making catalytic active sites more favorable to cis/trans-1,4 connections. Secondly, we observe a remarkable impact of IP concentration in the E/IP copolymers, active centers, and activity show stability when the amount of IP was 0.116–0.48 mol/L and then started to decline when the amount of IP 0.96 mol/L, indicating a threshold beyond which deactivation occurs. Increasing IP concentration not only reduces activity and active sites but also fails to reactivate dormant polyethylene sites. The Mw and active centers of copolymers progressively decrease with elevated IP concentration, suggesting a faster chain transfer reaction with IP compared to E.

在本研究中,我们探讨了茂金属催化剂在乙烯/异戊二烯(E/IP)共聚过程中的动态性质,重点是各种反应参数的影响。挑战:为什么烯烃催化剂在温度较高时活性和分子量(Mw)较低,而在二烯含量较高时活性较低?首先,我们研究了使用 1.25 μmole 茂金属在高温下催化剂活性和分子量降低的现象。值得注意的是,活性位点在 30 °C 至 40 °C 之间大幅增加,达到 89% 的峰值。令人惊讶的是,温度进一步升高会导致活性位点明显减少。在 30 °C 时,活性位点主要通过 3,4 连接插入 IP,没有检测到顺式-1,4 或反式-1,4 连接,这表明在此温度下缺乏立体选择性。在 40-50°C 时,顺式/反式-1,4 连接和活性位点接近较高水平。这意味着链转移反应的减少,使催化活性位点更有利于顺式/反式-1,4 连接。其次,我们观察到 IP 浓度对 E/IP 共聚物、活性中心的显著影响,当 IP 量为 0.116-0.48 摩尔/升时,活性表现稳定,当 IP 量为 0.96 摩尔/升时,活性开始下降,表明超过了失活的临界值。增加 IP 浓度不仅会降低活性和活性位点,而且也无法重新激活休眠的聚乙烯位点。随着 IP 浓度的升高,共聚物的 Mw 和活性中心逐渐减少,这表明与 E 相比,IP 的链转移反应更快。
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引用次数: 0
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Arabian Journal of Chemistry
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