Arabian Journal of Chemistry最新文献

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Green manure (Raphanus stativus L.) alters soil microbial structure and promotes acetochlor degradation 绿肥(Raphanus stativus L.)改变土壤微生物结构并促进乙酰氯降解
IF 5.3 2区 化学
Arabian Journal of Chemistry Pub Date : 2024-10-10 DOI: 10.1016/j.arabjc.2024.106017
Qian Liu , Wanqiu Jing , Wansheng Yang, Min Huang, Ping Lu, Deyu Hu
{"title":"Green manure (Raphanus stativus L.) alters soil microbial structure and promotes acetochlor degradation","authors":"Qian Liu ,&nbsp;Wanqiu Jing ,&nbsp;Wansheng Yang,&nbsp;Min Huang,&nbsp;Ping Lu,&nbsp;Deyu Hu","doi":"10.1016/j.arabjc.2024.106017","DOIUrl":"10.1016/j.arabjc.2024.106017","url":null,"abstract":"<div><div>Microorganisms play important roles in the remediation of contaminated soil. However, the relationship between the soil microbial communities and herbicide degradation remains unclear after applying green manure. The aim of this study was to investigate the effect of green manure on soil physicochemical properties, between acetochlor degradation and microbial communities. Adoption of pot experiments, the effects and mechanism of four fertilization treatments (CK: without green manure; GMV: <em>Vicia villosa</em> Roth; GML: <em>Lolium perenne</em> L.; GMR: <em>Raphanus stativus</em> L.) on the degradation of acetochlor were evaluated. Appling to <em>Raphanus stativus</em> L., acetochlor degraded in 5.82 days, which was 74.81 % higher than that of CK. Community differences in soil microbes were analysed using high-throughput sequencing. The predominant phyla of fungi were <em>Ascomyocta</em>, <em>Mortierellomycota</em>, <em>Basidiomycota</em>, unclassified_k_Fungi, and <em>Chytridiomycota</em>, which accounted for 85.01 %–116.46 % of the fungal OTUs. The green manure treatment showed higher abundance of <em>Mortierella</em> (9.54 %–13.05 %), diversity of saprotrophic fungi and symbiotic fungi and faster rate of degradation of acetochlor as compared to CK. In addition, soil properties such as soil total phosphorus (TP) and pH have significant effects on microorganisms. Fungal functional analysis revealed that the microorganisms associated with acetochlor biodegradation mainly belonged to <em>Ascomycota</em> and <em>Glomeromycota</em>. This study offers new insights into the relationship between soil properties and the environmental risks associated with the presence of pesticides in soil and the related mechanisms.</div></div>","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"17 12","pages":"Article 106017"},"PeriodicalIF":5.3,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142534393","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
Biological evaluation of sophoridine by interaction with plasma transport protein and protective effects in cardiomyocytes 槐定碱与血浆转运蛋白的相互作用及对心肌细胞的保护作用的生物学评价
IF 5.3 2区 化学
Arabian Journal of Chemistry Pub Date : 2024-10-09 DOI: 10.1016/j.arabjc.2024.106014
Zheng Wu, Shujuan Cheng, Shaoping Wang, Wenzheng Li, Jinghua Liu
{"title":"Biological evaluation of sophoridine by interaction with plasma transport protein and protective effects in cardiomyocytes","authors":"Zheng Wu,&nbsp;Shujuan Cheng,&nbsp;Shaoping Wang,&nbsp;Wenzheng Li,&nbsp;Jinghua Liu","doi":"10.1016/j.arabjc.2024.106014","DOIUrl":"10.1016/j.arabjc.2024.106014","url":null,"abstract":"<div><div>Numerous studies have demonstrated the protective benefits of sophoridine, a bioactive alkaloid, on cell damage. However, its primary biological properties such as interaction with plasma protein, which serves as the primary drug carrier, and its cardioprotective properties are still unknown. In the present study, we aimed to analyze the binding characteristics of sophoridine with alpha-2-macroglobulin (α2M) by spectroscopic and theoretical studies. Then, the cardioprotective effects of sophoridine on myocardial ischemia/reperfusion (MI/R) injury <em>in vitro</em> were investigated using H9c2 cardiomyocytes. The results reveal that one molecule of sophoridine favorably binds to one molecule of α2M dominantly through interaction with hydrophobic amino acid residues (VAL758, PHE735, PHE735, and TRP739). Also, sophoridine leads to partial changes in the structure of this carrier protein in the vicinity of TRP739 residue. Cellular assays exhibit that sophoridine recovered cell viability, membrane leakage, and apoptosis induced by MI/R injury. It was detected that sophoridine could mitigate the oxidative stress and intrinsic apoptosis pathway through regulation of Bax, Bcl-2, and caspase. ELISA analysis also exhibits that sophoridine upregulates phosphorylation of Akt and PI3K in H9c2 cells. Our findings suggest that sophoridine could show favorable plasma protein interaction and promising cardioprotection against MI/R injury mediated by the upregulation of PI3K/AKT signaling pathway.</div></div>","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"17 12","pages":"Article 106014"},"PeriodicalIF":5.3,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142441612","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
Cytotoxic diterpenoids from the roots of Euphorbia jolkinii Boiss against human pancreatic cancer SW1990 cells by regulating the expressions of Bcl-2, Bax, and Caspase-3 proteins 通过调节 Bcl-2、Bax 和 Caspase-3 蛋白的表达从大戟科植物 Boiss 的根中提取的二萜类化合物对人胰腺癌 SW1990 细胞具有细胞毒性
IF 5.3 2区 化学
Arabian Journal of Chemistry Pub Date : 2024-10-06 DOI: 10.1016/j.arabjc.2024.106012
Xinglong Chen , Hongbo Zhu , Haiying Zhang , Tang Zhou , Xingxi Li , Bo Hou , Weiyan Hu , Rongping Zhang
{"title":"Cytotoxic diterpenoids from the roots of Euphorbia jolkinii Boiss against human pancreatic cancer SW1990 cells by regulating the expressions of Bcl-2, Bax, and Caspase-3 proteins","authors":"Xinglong Chen ,&nbsp;Hongbo Zhu ,&nbsp;Haiying Zhang ,&nbsp;Tang Zhou ,&nbsp;Xingxi Li ,&nbsp;Bo Hou ,&nbsp;Weiyan Hu ,&nbsp;Rongping Zhang","doi":"10.1016/j.arabjc.2024.106012","DOIUrl":"10.1016/j.arabjc.2024.106012","url":null,"abstract":"<div><div>Sixteen undescribed diterpenoids were identified from <em>Euphorbia jolkinii</em> Boiss, a widespread invasive plant in the grassland ecosystem of subalpine meadows in southwest China, through a combination of spectroscopic data analysis. These included two casbane diterpenoids (<strong>1</strong> and <strong>2</strong>), two <em>ent</em>-atisane diterpenoids (<strong>3</strong> and <strong>4</strong>), and twelve <em>ent</em>-isopimarane diterpenoids (<strong>5</strong>–<strong>16</strong>). All isolates were evaluated the cytotoxicity on pancreatic cancer SW1990 cells in which compounds <strong>1</strong> and <strong>9</strong> exhibited obvious bioactivities against the tumor cells with the IC<sub>50</sub> values of 26.50 ± 6.36 and 21.09 ± 5.98 μM respectively. Moreover, compounds <strong>1</strong> and <strong>9</strong> were found to promote the pre-apoptosis of SW1990 cells and regulate the expressions of Bcl-2, Bax, and Caspase-3 proteins to display anti-tumor abilities. Compounds <strong>1</strong> and <strong>9</strong> were subjected to Bcl-2 protein <em>via</em> molecular ducking to reveal their anti-tumor mechanism further. The druggability prediction showed that they possessed good drug properties with development and utilization scenarios.</div></div>","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"17 12","pages":"Article 106012"},"PeriodicalIF":5.3,"publicationDate":"2024-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142424807","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
Conessine alleviates PTZ-induced epilepsy in rat model via attenuating neuroinflammation and oxidative stress 柯奈新通过减轻神经炎症和氧化应激缓解 PTZ 诱发的大鼠癫痫模型
IF 5.3 2区 化学
Arabian Journal of Chemistry Pub Date : 2024-10-05 DOI: 10.1016/j.arabjc.2024.106009
Fang Chen, Tingting Peng, Mengjiao Gou
{"title":"Conessine alleviates PTZ-induced epilepsy in rat model via attenuating neuroinflammation and oxidative stress","authors":"Fang Chen,&nbsp;Tingting Peng,&nbsp;Mengjiao Gou","doi":"10.1016/j.arabjc.2024.106009","DOIUrl":"10.1016/j.arabjc.2024.106009","url":null,"abstract":"<div><div>Epilepsy is a complex neurological disorder which affects the quality life of individual and also hinders the economic status of both the individuals and the country since it requires prolonged medications. The etiology of epilepsy is varied and the neuroinflammation has been considered to be the prime initiator and the stimulator of the disease progression. Therefore anti-inflammatory drugs are suggested to treat seizure and also to prevent epilepsy. The currently available antiepileptic drugs cause’s adverse effects which obstructs the usage of these drugs and also these drugs are not cost effective. Phytochemicals are effective alternative to these drugs and it is prescribed in the traditional medicine. Conessine, a steroidal alkaloid present in bark extracts of Holarrhena sps possess antibiotic, anti-diarrheal, antimalarial and anti-inflammatory properties. We evaluated the antiepileptic potency of conessine in PTZ challenged animal model treated with 10 and 20 mg/kg of conessine respectively. The seizure induction, severity and the behavioral changes were observed in the rats. The impact of conessine on neurochemical signaling in PTZ challenged rats were assessed via quantifying the neurotransmitter and ATPase levels in the brain tissue. Antioxidants and MDA levels were measured to evaluate the antioxidant potency of conessine in epilepsy induced rats. iNOS and nNOS which are inducers of NO during epileptic conditions were analyzed in the test rats. The stimulators and inflammatory cytokines levels were quantified in the brain to analyze the anti-neuroinflammatory efficacy of the conessine in PTZ challenged rats. AKT/mTOR prime signaling proteins in initiation and progression of epilepsy was quantified in the brain tissue of experimental animals. Neurodegeneration inducers cytochrome <em>c</em>, NF-κB, COX-2 and Caspase 3 were quantified to evaluate the ameliorative potency of conessine against PTZ induced neuronal damage. The neuroprotective and antiepileptic potency of conessine was confirmed with the histopathological scoring of brain tissue in PTZ challenged rats. Conessine treatment effectively inhibited the seizure induction and regulated the neurochemical signaling in epileptic induced rats. It also attenuated the neuroinflammation and oxidative stress induction induced by PTZ treatment. The prime signaling proteins nitric oxide synthatase and AKT/mTOR signaling proteins were effectively inhibited by the conessine treatment which eventually prevented the neurodegeneration inducers. Conessine treatment significantly enhanced the levels of Caspase 3. The histopathological analysis confirms the neuroprotective, anti-inflammatory and antiepileptic potency of conessine. Conessine treatment also doesn’t caused any behavioral alterations in the rats hence it is safe and potent alternative for currently available antiepileptic drugs.</div></div>","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"17 12","pages":"Article 106009"},"PeriodicalIF":5.3,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142444736","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
A review of Viticis Fructus: botany, historical records, phytochemistry, pharmacology, toxicity, quality control, pharmacokinetics and comprehensive applications 枸橘综述:植物学、历史记录、植物化学、药理学、毒性、质量控制、药代动力学和综合应用
IF 5.3 2区 化学
Arabian Journal of Chemistry Pub Date : 2024-10-02 DOI: 10.1016/j.arabjc.2024.106008
Xue Meng , Yang Liu , Suyi Liu , Qianqian Zhang , Kunze Du , Omachi Daniel Ogaji , Lirong Wang , Xingyue Jin , Jin Li , Yanxu Chang
{"title":"A review of Viticis Fructus: botany, historical records, phytochemistry, pharmacology, toxicity, quality control, pharmacokinetics and comprehensive applications","authors":"Xue Meng ,&nbsp;Yang Liu ,&nbsp;Suyi Liu ,&nbsp;Qianqian Zhang ,&nbsp;Kunze Du ,&nbsp;Omachi Daniel Ogaji ,&nbsp;Lirong Wang ,&nbsp;Xingyue Jin ,&nbsp;Jin Li ,&nbsp;Yanxu Chang","doi":"10.1016/j.arabjc.2024.106008","DOIUrl":"10.1016/j.arabjc.2024.106008","url":null,"abstract":"<div><h3>Background</h3><div>Viticis Fructus (also known as Manjingzi) has been used in China for more than 2000 years. It is one of the most famous traditional Chinese medicines with the main effect of dispelling wind-heat. In Asian countries, it is used in the treatment of common cold with wind-heat syndrome, swollen gums, migraines, dizziness, <em>etc</em>.</div></div><div><h3>The aim of the review</h3><div>The paper emphasizes on the botany, historical records, phytochemistry, pharmacology, toxicity, quality control, pharmacokinetics and comprehensive applications of Viticis Fructus to furnish with a scientific theoretical reference for its exploration and applications.</div></div><div><h3>Materials and methods</h3><div>Correlative data on Viticis Fructus were obtained from PubMed, ScienceDirect, Web of science, Embase, Scopus, Google Scholar, CNKI, WeiPu, Chinese ancient books and DuXiu academic search. The data collection ended in May 2024.</div></div><div><h3>Results</h3><div>The results showed 324 compounds, including terpenoids, flavonoids, lignans and others, which were isolated and identified from Viticis Fructus. In addition to treating headaches and eye pain, Viticis Fructus also had anti-inflammatory, antiplatelet activation, analgesia, antitumor and antihypertensive effects. In addition, this review summarized the botany, toxicity, counterfeit identification, pharmacokinetics and patent information of Viticis Fructus in detail. The shortcomings and feasible suggestions are put forward, which provide a basis for further research and utilization of Viticis Fructus.</div></div><div><h3>Conclusion</h3><div>Viticis Fructus has been used to remedy common cold with wind-heat syndrome, cephalalgia, ophthalmodynia, dizziness, <em>etc</em>. The pharmacological activities of the main components have been clarified and backed up the traditional applications. However, the botany, processing, pharmacological mechanism, quality control and toxicological studies of Viticis Fructus need to be further improved.</div></div>","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"17 12","pages":"Article 106008"},"PeriodicalIF":5.3,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142424808","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
U(Ⅵ) sorption by porous sodium zirconium phosphate pellets from aqueous solution 多孔磷酸锆钠颗粒从水溶液中吸附铀(Ⅵ)的情况
IF 5.3 2区 化学
Arabian Journal of Chemistry Pub Date : 2024-10-01 DOI: 10.1016/j.arabjc.2024.106007
Cheng Wang , Bingtao Gui , Tianjie Li , Ruiyang Chang , Junxiang Shu , Xiaoqin Deng , Li Chen , Maodan Luo , Bing Jiang , Su Xu , Juan Zhai , Jun Liu , Changsong Zhao
{"title":"U(Ⅵ) sorption by porous sodium zirconium phosphate pellets from aqueous solution","authors":"Cheng Wang ,&nbsp;Bingtao Gui ,&nbsp;Tianjie Li ,&nbsp;Ruiyang Chang ,&nbsp;Junxiang Shu ,&nbsp;Xiaoqin Deng ,&nbsp;Li Chen ,&nbsp;Maodan Luo ,&nbsp;Bing Jiang ,&nbsp;Su Xu ,&nbsp;Juan Zhai ,&nbsp;Jun Liu ,&nbsp;Changsong Zhao","doi":"10.1016/j.arabjc.2024.106007","DOIUrl":"10.1016/j.arabjc.2024.106007","url":null,"abstract":"<div><div>Zirconium phosphate is the first artificially produced layered phosphate that can sorb a variety of nuclides from solutions. Sodium zirconium phosphate (NZP) was a type of α-zirconium phosphate (α-ZrP). The porous sodium zirconium phosphate pellets (p-NZP-P) with a diameter of more than ∼3 mm were prepared and used for uranium sorption. The p-NZP-P could be immersed in solutions for more than 5 days without dissolving and structurally collapsing. The sorption properties of U(Ⅵ) on p-NZP-P in solutions were investigated by both static and dynamic sorption tests. Synthetic p-NZP-P was analyzed in detail using various characterizations to investigate their character and structural changes. In the static sorption experiment, the equilibrium sorption capacity reached the 77.5 ± 1.5 mg·g<sup>−1</sup> when the initial concentration of U(Ⅵ) was 100 mg/L, pH<sub>initial</sub> = 4.5, <em>T</em> = 25 ℃. Uranium sorption increased by ∼69 % and ∼215 %, respectively, when the initial uranium concentration was increased from 100 to 300 mg·L<sup>−1</sup> and the temperature was increased from 15 to 55 °C. Furthermore, uranium sorption increased by ∼541 % when the initial pH increased from 2.5 to 4.5, while it decreased by ∼39 % when the initial pH increased from 4.5 to 7.0. The sorption data corresponded to the pseudo-second-order kinetic model and the Langmuir isotherm model, as well as the theoretically predicted value of sorption capacity (∼199.9 mg·g<sup>−1</sup>). The results of the dynamic sorption experiment showed that decreasing the quality, increasing the flow rate and the initial U(Ⅵ) concentration would shorten the breakthrough time. The dynamic sorption data agreed well with the Thomas model. The characterization confirmed the porous properties, while the U(Ⅵ) sorption mechanisms relate to –OH coordination and ion exchange. A radioactive rare earth wastewater treatment test suggested that p-NZP-P could be the potential uranium sorbent due to its good stability and efficiency. This paper opened opportunities for the development of practical materials for treating radioactive wastewater in the application of actual scenarios.</div></div>","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"17 11","pages":"Article 106007"},"PeriodicalIF":5.3,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142432520","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
Corrigendum to “Fabrication of exchange coupled hard/soft magnetic nanocomposites: Correlation between composition, magnetic, optical and microwave properties” [Arab. J. Chem. 14(3) (2021) 102992] 对 "交换耦合硬/软磁纳米复合材料的制备:成分、磁性、光学和微波特性之间的相关性" [Arab.
IF 5.3 2区 化学
Arabian Journal of Chemistry Pub Date : 2024-09-28 DOI: 10.1016/j.arabjc.2024.106006
Y. Slimani , N.A. Algarou , M.A. Almessiere , A. Sadaqat , M.G. Vakhitov , D.S. Klygach , D.I. Tishkevich , A.V. Trukhanov , S. Güner , A.S. Hakeem , I.A. Auwal , A. Baykal , A. Manikandan , I. Ercan
{"title":"Corrigendum to “Fabrication of exchange coupled hard/soft magnetic nanocomposites: Correlation between composition, magnetic, optical and microwave properties” [Arab. J. Chem. 14(3) (2021) 102992]","authors":"Y. Slimani ,&nbsp;N.A. Algarou ,&nbsp;M.A. Almessiere ,&nbsp;A. Sadaqat ,&nbsp;M.G. Vakhitov ,&nbsp;D.S. Klygach ,&nbsp;D.I. Tishkevich ,&nbsp;A.V. Trukhanov ,&nbsp;S. Güner ,&nbsp;A.S. Hakeem ,&nbsp;I.A. Auwal ,&nbsp;A. Baykal ,&nbsp;A. Manikandan ,&nbsp;I. Ercan","doi":"10.1016/j.arabjc.2024.106006","DOIUrl":"10.1016/j.arabjc.2024.106006","url":null,"abstract":"","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"17 11","pages":"Article 106006"},"PeriodicalIF":5.3,"publicationDate":"2024-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142359678","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
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
Arabian Journal of Chemistry Pub Date : 2024-09-26 DOI: 10.1016/j.arabjc.2024.105991
Xiaowei Geng , Yuanyuan Feng , Yinhui Wang , Hemeng Zhang , Yujiao Liu , Ke Gao
{"title":"Study on preparation and performance of bagasse/sodium carboxymethyl cellulose gel for inhibiting coal spontaneous combustion","authors":"Xiaowei Geng ,&nbsp;Yuanyuan Feng ,&nbsp;Yinhui Wang ,&nbsp;Hemeng Zhang ,&nbsp;Yujiao Liu ,&nbsp;Ke Gao","doi":"10.1016/j.arabjc.2024.105991","DOIUrl":"10.1016/j.arabjc.2024.105991","url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"17 11","pages":"Article 105991"},"PeriodicalIF":5.3,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142359675","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
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
Arabian Journal of Chemistry 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
{"title":"Machine learning approaches in designing anti-HIV nitroimidazoles: 2D/3D QSAR, kNN-MFA, docking, dynamics, PCA analysis and MMGBSA studies","authors":"Momin Ziyaul-Haque ,&nbsp;Rashid Ayub ,&nbsp;Mohd Usman Mohd Siddique ,&nbsp;Amit Gangwal ,&nbsp;Azim Ansari ,&nbsp;Mudassar Shahid ,&nbsp;Yogeeta O. Agrawal ,&nbsp;Tasneem Khan","doi":"10.1016/j.arabjc.2024.105995","DOIUrl":"10.1016/j.arabjc.2024.105995","url":null,"abstract":"<div><div>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 <em>in-silico</em> studies. In statistically significant 2D-QSAR models r<sup>2</sup> values for IIIB strains 0.9241 and for ROD strains 0.9412 with corresponding q<sup>2</sup> 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.</div></div>","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"17 11","pages":"Article 105995"},"PeriodicalIF":5.3,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142359677","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
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
Arabian Journal of Chemistry Pub Date : 2024-09-21 DOI: 10.1016/j.arabjc.2024.106005
Phattarin Mora , Sarawut Rimdusit , Chanchira Jubsilp
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