Arabian Journal of Chemistry最新文献

{"title":"A “seed”-based molecular networking strategy for the screening and identification of unknown glucocorticoids in cosmetics","authors":"Dong Guo, Yaxiong Liu, Jingwen Liang, Yayang Huang, Yangjie Li, Qunyue Wu, Sheng Yin, Jihui Fang","doi":"10.25259/ajc_85_2024","DOIUrl":"https://doi.org/10.25259/ajc_85_2024","url":null,"abstract":"The illegal addition of glucocorticoids in cosmetics has become a growing concern. However, due to the covert use of these additives, traditional targeted analytical methods have proven inadequate in addressing the evolving regulatory landscape. To tackle this issue, our study employed a “seed”-based molecular networking strategy for the non-targeted detection of glucocorticoids in cosmetics obtained through market surveillance. By utilizing 36 known glucocorticoids as “seed” nodes, we successfully constructed visualized molecular networking spectra for seven cosmetic products. Then, leveraging the data mining capabilities of MS-DIAL and MS-FINDER, 14 potentially risk substances were successfully identified, including newly discovered glucocorticoids, such as dexamethasone phosphate (Dex-P), prednylidene, and 7 alpha-thiospironolactone. To ensure the reliability of our findings, we proposed fragmentation pathways for the newly discovered glucocorticoids. Subsequent analyses involving molecular docking and molecular dynamics simulations indicated that these newly identified glucocorticoids could trigger skin atrophy and endocrine disorders, with Dex-P having the potential to exhibit the most potent impact. Furthermore, the accuracy of the Dex-P identification was validated through standard reference analysis, and its presence was confirmed in additional actual samples. This study presents an efficient methodology for regulating glucocorticoids in cosmetics and provides new insights into the scientific supervision of cosmetics.","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"18 1","pages":"852024-852024"},"PeriodicalIF":0.0,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147332000","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}

{"title":"Integrating metabolic characterization and pharmacokinetics to uncover the active compounds of <i>Salvia miltiorrhiza-Ligusticum chuanxiong</i> for treating cerebral ischemia","authors":"Han‐Qing Pang, Xuan-Hao Zhang, Jiaxiu Guo, Ying Li, Yongjuan Zhao, Muhi Eldeen Hussien Ibrahim, Bingchun Yan","doi":"10.25259/ajc_321_2024","DOIUrl":"https://doi.org/10.25259/ajc_321_2024","url":null,"abstract":"Salvia miltiorrhiza (SM) and Ligusticum chuanxiong (LC) are a well-known herb pair, frequently used in China to treat cerebral ischemia. However, there has been no comprehensive analysis on the metabolic profile, active compounds, and pharmacokinetics of SM−LC. Hence, this work aimed to reveal the active ingredients of SM-LC by establishing its metabolic profile and muti-compound pharmacokinetics by analysis. The strategy integrated visual basic for applications (VBA)-based background removal with a modified mass defect filter (MMDF) technique for the metabolome profiling of SM-LC. A total of 154 exogenous (33 prototypes and 121 metabolites) compounds were quickly characterized in vivo . The predominant metabolic pathways of SM-LC included phase I reactions (methylation, oxidation, hydrogenation, dehydration and hydroxylation, etc.) and phase II reactions (acetylation, glucuronidation and glycosylation, etc.). Then the validated ultra-high performance liquid chromatography connected with tandem triple quadrupole mass spectrometry was employed for the plasma pharmacokinetic analysis of 16 prototypes from SM-LC. Compared with the individual herbs, SM-LC could enhance the C max and area under the curve (AUC) of danshensu, lithospermic acid, senkyunolide I, butylidenephthalide, tanshinone IIA ( P &lt; 0.05). Moreover, neuroprotective activity evaluation indicated that phenolic acids were good at protecting BEND.3 cells from oxygen glucose deprivation/reperfusion (OGD/R) injury, while phthalides and tanshinones exerted obvious neuroprotective effects on HT22 and BV2 cells under the OGD/R injury model. This study would enhance the understanding of the biotransformation profiles and active ingredients of SM-LC against cerebral ischemia, thereby promoting the clinical application of related prescriptions.","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"18 1","pages":"3212024-3212024"},"PeriodicalIF":0.0,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147879014","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}

{"title":"Integrated HTS², UPLC-MS/MS, and network pharmacology identifies Bruceae Fructus waste as potential source of flavonoids and quassinoids for inhibiting breast cancer","authors":"Xiankuo Yu, Lei Xiang, Jun An, Shengrong Li, Chao Hu, Yu Gui, Yumei Wang, Xilinqiqige Bao, Dong Wang","doi":"10.25259/ajc_23_2024","DOIUrl":"https://doi.org/10.25259/ajc_23_2024","url":null,"abstract":"Shells are the main agro-industrial waste generated from industrial anti-cancer drugs manufacture using Bruceae Fructus. However, its potential for medicinal applications in cancer treatment has rarely been explored. In the present study, an integrated high throughput sequencing-based high throughput screening (HTS 2 ), ultra performance liquid chromatography/tandem mass spectrometry (UPLC-MS/MS), and network pharmacology strategy was put forward to explore the possible utilization of waste in inhibiting breast cancer. The shell of Bruceae Fructus (BFS) inhibits proliferation and migration of breast cancer cells, while also inducing cell cycle arrest and apoptosis. The HTS 2 assay revealed the possible molecular mechanisms activating the TP53 signaling pathway and apoptosis and inhibiting the cell cycle. Through network pharmacology analysis, PI3K/Akt signaling pathway was identified as another underlying mechanism. The HTS 2 assay approved the downregulation of most genes in the PI3K/Akt pathway. UPLC-MS/MS identified flavones and quassinoids as the main ingredients in BFS. Molecular docking revealed the binding of these compounds to key targets including PI3K, AKT1, and PDK1. Our research shows that BFS may serve as a valuable source for discovering anti-cancer compounds and offers a novel approach for identifying potential drugs from presumed herb waste.","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"18 1","pages":"232024-232024"},"PeriodicalIF":0.0,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147883358","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}

{"title":"Determination of total reactive sulfide species in biological matrix after administration of hydrogen sulfide donors or cellular oxidative stress","authors":"Liai Lan, Jianping Zhu, Ming Deng, Qinghua Zeng, Zhuangwei Liu, Ning Ling, Zhao Chen, Yuefen Lou, Guorong Fan, Zhuang Zhao","doi":"10.25259/ajc_115_2024","DOIUrl":"https://doi.org/10.25259/ajc_115_2024","url":null,"abstract":"Detection and quantification of the third gasotransmitter, hydrogen sulfide (H 2 S), are of great significance in understanding its physiological and therapeutic effects. It has been increasingly accepted that H 2 S may exert many of its biological functions via the formation of sulfane sulfur species (mainly persulfides and polysulfides). It is hard to discriminate between the biological effect of H 2 S and sulfane sulfur by detection after derivatization with specific alkylating agents due to their redox equilibrium interconversions. In this study, a liquid chromatography tandem mass spectrometry (LC-MS/MS) method for simultaneous determination of H 2 S and sulfane sulfur (termed total reactive sulfide species (TRSS)) was developed by derivatization with 4-chloro-7-nitro-2,1,3- benzoxadiazole (NBDCl) and converting them into the same product, 7-nitrobenzofurazan-4-thiol (NBDSH). The NBDSH response of TRSS in rat plasma was linearly correlated with the nominal concentration of H 2 S spiked in blood. Since the analytes were endogenous compounds, and surrogate matrix and analytes were unattainable, the concentration of TRSS was calibrated using NBDSH spiked plasma standard samples. The method showed excellent linearity in the range of 0.1-20 μM; the precision, accuracy, recovery, matrix effect, dilution effect and stability of NBDSH met the requirements for bio-analysis. The method was successfully applied to pharmacokinetic study of H 2 S donors in rats, the results showed that the baseline level of TRSS in rat plasma was approximately 20 µM, the concentration of TRSS reached the peak value of 27 µM and 36 µM at 4 min and 10 min after administration of Na 2 S at 5 mg∙kg -1 and 10 mg∙kg -1 , respectively. Using this method, we have also found that the level of TRSS in mice peritoneal macrophages was decreased when the cells were under oxidative stress after activation of the Nucleotide oligomerization domain (NOD)-like receptor family pyrin domain-containing 3 (NLRP3) inflammasome. This study could provide a reference for establishment and validation of methods for quantification of volatile endogenous active compounds, and the method would be further applied in future to assess the druggability of newly designed H 2 S controlled release preparation and elucidate the physiological and pathological effects of endogenous reactive sulfide species and reactive oxygen species (ROS).","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"18 1","pages":"1152024-1152024"},"PeriodicalIF":0.0,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147878144","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}

{"title":"Investigating chlorothiophene-based chalcones as anticancer agents: Synthesis, biological evaluation, and computational insight via the p53-targeted pathway","authors":"Fia Fathiana Wulan, Endang Astuti, Niko Prasetyo, Naresh Kumar, Tutik Dwi Wahyuningsih","doi":"10.25259/ajc_31_2024","DOIUrl":"https://doi.org/10.25259/ajc_31_2024","url":null,"abstract":"Chalcone, a prominent flavonoid known for its diverse biological effects, has been widely used in anticancer drug development to create compounds with improved selectivity. This study synthesized nine chlorothiophene-based chalcone analogs to explore their anticancer activity and selectivity via structural optimization and bio-isosteric replacement. Our compounds were synthesized using the Claisen–Schmidt condensation reaction and this method was proven to be highly effective, yielding our desired compounds at levels ranging from 68% to 96%. These compounds exhibited toxicity against various cancer cell lines, with compounds C4 and C6 exerting the strongest toxicity on WiDr colorectal cancer cells (IC 50 = 0.77 and 0.45 µg/mL) and promising selectivity toward normal cells. Compounds C4 and C6 were selected for computational analysis to understand their inhibitory mechanisms. The analysis revealed binding energy values ranging from −6.2 to −6.6 kcal/mol, indicating moderate interactions with the anti-apoptotic proteins MDM2 and Bcl-2. Molecular dynamics simulation trajectories of C4 revealed stability profiles for Bcl-2 of up to 500 ns. Meanwhile, Density functional theory (DFT) studies provided insights into the designed compounds’ Highest occupied molecular orbital-Lowest unoccupied molecular orbital (HOMO-LUMO) energy gap and Molecular electrostatic potential (MEP) plot. In addition, ADMET (Adsorption, Distribution, Metabolism, Excretion, and Toxicity) analyses indicated the potential for oral drug development across all compounds.","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"18 1","pages":"312024-312024"},"PeriodicalIF":0.0,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147332503","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}

{"title":"Phosphate-responsive nanocomposite hydrogel laden with umbilical cord blood exosomes and nanosilver accelerates diabetic and infectious wound healing","authors":"Qing Su, Peng Tuo, Huajian Li, Hanyi Mei, Yahong Yuan, Abid Naeem, Xiaoli Wang","doi":"10.25259/ajc_103_2024","DOIUrl":"https://doi.org/10.25259/ajc_103_2024","url":null,"abstract":"Chronic non-healing wounds are a significant global health challenge, particularly for individuals with diabetes, requiring advanced therapeutic strategies. This study focuses on the development and assessment of phosphate-responsive hydrogel designed for the release of nanosilver and umbilical cord blood exosomes (UCB-exos), to promote wound closure in diabetics, as well as tissue regeneration. The findings indicate that UCB-exos effectively promotes skin fibroblast proliferation and migration and maintains endothelial angiogenic activity in hyperglycemic conditions. By modulating the cell cycle signaling pathway, UCB-exos improve the biological functions of endothelial cells in a hyperglycemic environment. Exosomes were incorporated into a nanosilver hydrogel to evaluate their potential for promoting diabetic wound healing in vivo . The hydrogel not only promoted collagen deposition and angiogenesis but also demonstrated significant antimicrobial activity, thereby expediting the wound healing process. This study illustrates that the phosphate-responsive nanocomposite hydrogel, incorporating UCB-exos and nanosilver, effectively enhances the healing of diabetic and infectious wounds. It has therapeutic potential in treating diabetic wounds and highlights the promising application of such composite hydrogels for managing chronic, non-healing diabetic wounds.","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"18 1","pages":"1032024-1032024"},"PeriodicalIF":0.0,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147897753","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}

{"title":"Three new spirocyclic terpenoids from Euphorbia amygdaloides exhibit cytotoxicity against cancerous cell lines through early and late apoptosis","authors":"Ardalan Pasdaran ,&nbsp;Negar Azarpira ,&nbsp;Mahdokht Hossein Aghdaie ,&nbsp;Maryam Zare ,&nbsp;Negin Sheidaie ,&nbsp;Fatemeh Hajeb Fard ,&nbsp;Azadeh Hamedi","doi":"10.1016/j.arabjc.2024.106049","DOIUrl":"10.1016/j.arabjc.2024.106049","url":null,"abstract":"&lt;div&gt;&lt;div&gt;Bioassay-guided fractionation led to the isolation of three new spirocyclic terpenoid compounds from &lt;em&gt;Euphorbia amygdaloides&lt;/em&gt; L&lt;em&gt;.&lt;/em&gt;, named Zagrosin I–III. Their structures were identified by 1D and 2D NMR (&lt;sup&gt;1&lt;/sup&gt;H NMR, &lt;sup&gt;13&lt;/sup&gt;C NMR, DEPT 135, HMBC, and HSQC-TOCSY) and LC-MS-MS spectrometry. The cytotoxicity of the isolated spirocyclic terpenoids (Zagrosin I-III) was assessed against human breast cancer (MCF-7), human fibrosarcoma (HT1080), and normal human foreskin fibroblast cells with MTT assays (24, 48, and 72 h treatments). The FITC-Annexin V apoptosis flow cytometry assays and cell cycle analysis were performed for Zagrosin I–III.&lt;/div&gt;&lt;div&gt;These isolated compounds were identified as: (9)-8a-((benzoyloxy)methyl)-2-methoxy-4,9-dimethyltetrahydro-4H,5H-2,4a-methanobenzo[d] [1,3] dioxine-4-carboxylate (Zagrosin I), ((9)-4-hydroxy-2-methoxy-4,9-dimethyltetrahydro-4H,8aH-2,4a-methanobenzo[d] [1,3] dioxin-8a-yl) methyl benzoate (Zagrosin II), and (9)-2-methoxy-4,9-dimethyl-8a-(phenoxy methyl) tetrahydro-4H,5H-2,4a-methanobenzo[d][1,3]dioxin-4-yl 4-methylpentanoate (Zagrosin III).&lt;/div&gt;&lt;div&gt;The IC&lt;sub&gt;50&lt;/sub&gt; of Zagrosin I on 48-h-treated MCF-7 was calculated as 1.5 μg/mL. Zagrosin II and III exhibited cytotoxicity on 48-h-treated MCF-7 with IC&lt;sub&gt;50&lt;/sub&gt;s of 14.04 and 12.50 μg/mL, respectively. The IC&lt;sub&gt;50&lt;/sub&gt; of Zagrosin I on human fibrosarcoma (HT1080) was 115.5 μg/mL, Zagrosin III, 16.81 μg/mL (48 h treatment), and Zagrosin II, 142.7 μg/mL (72 h treatment). Zagrosin I-III exhibited significant cytotoxicity against the MCF-7 cell line and human fibrosarcoma (HT1080), with the mechanism of early and late apoptosis affecting cells mostly in G0/G1 fallowed by S and G2 phases. MCF-7 had a higher rate of phosphatidyl serine exposure on the cell membrane than two other studied cells. The cytotoxicity on normal human foreskin fibroblasts was low. Zagrosin I-III can be considered an effective chemical backbone for anticancer drug development.&lt;/div&gt;&lt;div&gt;Abbreviations: 2D NMR: Two-Dimensional Nuclear Magnetic Resonance Spectroscopy; API: Atmospheric Pressure Ionization; DEPT: Distortionless Enhancement by Polarization Transfer; ELISA: Enzyme-Linked Immunosorbent assay; ERK: Extracellular signal-regulated kinase; ESI: Electrospray ionization; FBS: Fetal Bovine Serum; FITC: Fluorescein isothiocyante; fr: fraction; HMBC: Heteronuclear Multiple Bond Correlation; HPLC: High-Performance Liquid Chromatography; HSQC: Heteronuclear Single Quantum Coherence; HT1080: Human fibrosarcoma cell line; IC&lt;sub&gt;50&lt;/sub&gt;: Half-maximal inhibitory concentration; MCF-7: Human breast cancer cell line; MHz: Megahertz; MTT: 3-[4,5-dimethylthiazol-2-yl]-2,5 diphenyl tetrazolium bromide; NMR: Nuclear Magnetic Resonance; PBS: Phosphate Buffered Saline; PI: Propidium Iodide; ppm: Part Per Million; R&lt;sub&gt;f&lt;/sub&gt;: Retention Factor; TLC: Thin-layer chromatography; TOCSY: Total Correlation Spectroscopy; VLC: Vacuum Liquid Chromatography.&lt;/div&gt;&lt;/di","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"18 1","pages":"Article 106049"},"PeriodicalIF":5.3,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142653272","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}

{"title":"Nanofluids application in enhanced oil recovery process-opportunities and challenges","authors":"Feifei Liang ,&nbsp;Wenjuan Wang ,&nbsp;Siyu Zhu ,&nbsp;Yuting Hu,&nbsp;Ziyu Zhao,&nbsp;Yuxing Tan,&nbsp;Gaobo Yu,&nbsp;Jinjian Hou,&nbsp;Jiacheng Li","doi":"10.1016/j.arabjc.2024.106053","DOIUrl":"10.1016/j.arabjc.2024.106053","url":null,"abstract":"<div><div>Enhanced oil recovery (EOR) remains paramount for tapping into residual oil post primary and secondary recovery stages. While conventional methods hold their ground, the rise of chemical EOR, especially utilizing nanofluids, stands out due to its economic viability, enhanced recovery efficiency, and adaptability. The allure of nanofluid-enhanced oil recovery (N-EOR) has grown amongst researchers, albeit with underlying mechanisms that still harbor inconsistencies and ambiguities. This review meticulously examines the micro-mechanics of nanofluid interactions with heavy oil molecules, particles, and surfaces, the methodologies underpinning nanofluid-assisted EOR, multiphase displacement within pores and cores, and the fluid–solid coupling during such flows. Key findings show that nanofluids alter mineral wettability, adjust oil/water interfacial tension, shift structural disjoining pressure, and curtail viscosity. The prowess of N-EOR largely hinges on nanoparticle adsorption. Their affinity for mineral surfaces induces a shift towards water-wet states, while their interplay at oil/water boundaries can tweak interfacial tensions, fostering emulsification. One standout revelation is the adsorption of asphaltenes on nanoparticles, which mitigates asphaltene concentrations in heavy oil, thereby diminishing viscosity and amplifying oil extraction. Contrary to previous studies that merely spotlighted outcomes, our review delves deep into the complexities of nanoparticle adsorption, spotlighting the harmonious interplay between nanoparticle adsorption features and N-EOR operations. We unravel the intricacies of nanofluid behaviors during multiphase core displacement and provide a detailed overview of pertinent simulations. To encapsulate, this study demystifies potential N-EOR techniques and charts fresh research trajectories. Our revelations aim to enrich the comprehension of N-EOR phenomena, accentuating the pivotal role of nanofluids in multiphase core transitions and computational simulations. Furthermore, we highlight lingering challenges, directing the scientific community towards continued nanoparticle innovations and exploration. The novelty of this study is as follows: Nanofluids are mainly used in the third oil recovery process, and are not used in the first and second oil recovery processes. In addition, during the third oil recovery, some nanofluids may remain in the mine due to the sedimentation characteristics of nanomaterials. Currently, we are also committed to developing new processes to reduce the deposition of nanomaterials in the mine. At present, it is not clear how nanofluids enhance the oil recovery mechanism, and the oil recovery mechanism is relatively chaotic. In this article, we analyzed these mechanisms.</div></div>","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"18 1","pages":"Article 106053"},"PeriodicalIF":5.3,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142653327","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}

{"title":"Phosphate removal performance and mechanism of zirconium-doped magnetic gasification slag","authors":"Baoguo Yang ,&nbsp;Fengcheng Jiang ,&nbsp;Yinxin Zhao ,&nbsp;Hongbin Li ,&nbsp;Shengguang Zhang ,&nbsp;Kanghui Liu","doi":"10.1016/j.arabjc.2024.106079","DOIUrl":"10.1016/j.arabjc.2024.106079","url":null,"abstract":"<div><div>Zirconium-modified materials exhibit good adsorption performance, but their large-scale application is limited by the cost of carrier materials and the difficulty of solid–liquid separation of powder adsorbents. Therefore, in this study, we used low-cost gasification slag for zirconium oxide loading to avoid the aforementioned problems and successfully prepared a novel gasification slag–based zirconium-doped magnetic adsorbent material (GS-Z2M). GS-Z2M is a mesoporous adsorbent material with a large specific surface area (188 m²/g); it completely adsorbed phosphate with an initial concentration of 10 mg/L within 3 h. The rate-controlling step of phosphate removal using GS-Z2M was chemisorption. The Langmuir model proved more suitable for describing the adsorption of phosphate on GS-Z2M than the Freundlich and Temkin models, and the maximum phosphate adsorption capacity calculated using the Langmuir model was 26.02 mg/g. GS-Z2M showed good phosphate adsorption selectivity and reusability (can be recycled at least 5 times). GS-Z2M also showed good capacity for treating actual phosphate wastewater under dynamic flow conditions. The mechanism of phosphate adsorption on GS-Z2M mainly involved ligand exchange and inner-sphere complexation. The obtained results suggest that GS-Z2M is a promising adsorbent and vital for the development of phosphate adsorbents and recycling of gasification slag.</div></div>","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"18 1","pages":"Article 106079"},"PeriodicalIF":5.3,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143153913","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}

{"title":"Quantitative profiling and mechanisms exploration of Epimedium total flavonoid capsules in neuroinflammation: An integrated study of pharmacokinetics, network pharmacology, and molecular pathways","authors":"Xiaochun Zeng ,&nbsp;Junran Shao ,&nbsp;Dabo Pan ,&nbsp;Siying Zeng ,&nbsp;Zhenzhong Wang ,&nbsp;Xinsheng Yao ,&nbsp;Haibo Li ,&nbsp;Wei Xiao ,&nbsp;Yang Yu","doi":"10.1016/j.arabjc.2024.106084","DOIUrl":"10.1016/j.arabjc.2024.106084","url":null,"abstract":"<div><div>Epimedium total flavonoid capsules (ETFCs), a traditional Chinese patent medicine derived from <em>Epimedium brevicornu</em> Maxim., have been used for centuries to treat primary osteoporosis and are associated with kidney yang deficiency symptoms. Based on the “kidney-brain axis” hypothesis, previous study demonstrated that ETFCs can improve the cognitive function of MCAO rats, and the mechanism may involve the inflammatory response. However, little is known about their therapeutic components and scientific connotations. This study systematically investigates the anti-neuroinflammatory material basis and the mechanisms of ETFCs, integrating UPLC-Q/TOF-MS and UPLC-TQ-MS for chemical profiling, quantitative analysis of key components in rats′ plasma and brain, along with network pharmacology and activity verification. As a result, 65 components were identified. Metabolite profiling showed a total of 130 xenobiotics, highlighting the extensive metabolic transformations. Pharmacokinetic studies showed that primary flavonoid glycosides were quickly absorbed, while secondary glycosides exhibited slower absorption and elimination. In brain tissue, both prototype glycosides and secondary glycosides reached their peak concentrations rapidly, with T_max between 0.25–1 h, while the prototype glycosides were eliminated after 8 h and secondary glycosides exhibited a secondary peak at 6–8 h. A network pharmacology study revealed that prototypes in blood may play a therapeutic role through targets including AKR1B1, PDE5A, and PTGS2 (COX-2). The LPS-induced BV-2 cell model confirmed ETFCs′ constituents showed inhibitory activities on pro-inflammatory cytokine secretion, mRNA expressions of IL-6, TNF-α, COX-2, iNOS and could down-regulate the protein expressions of COX-2 and iNOS. This research lays the foundation for the further development and utilization of ETFCs.</div></div>","PeriodicalId":249,"journal":{"name":"Arabian Journal of Chemistry","volume":"18 1","pages":"Article 106084"},"PeriodicalIF":5.3,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143153918","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}