Polycyclic Aromatic Compounds最新文献

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Novel Schiff Bases: Synthesis, Characterization, Bioactivity, Cytotoxicity, and Computational Evaluations 新型席夫碱:合成、表征、生物活性、细胞毒性和计算评价
IF 2.4 3区 化学
Polycyclic Aromatic Compounds Pub Date : 2025-04-21 DOI: 10.1080/10406638.2024.2412217
Hilal Medetalibeyoğlu , Sevda Manap , Muzaffer Alkan , Murat Beytur , Neslisah Barlak , Omer Faruk Karatas , Burak Tüzün , Haydar Yüksek , Parham Taslimi
{"title":"Novel Schiff Bases: Synthesis, Characterization, Bioactivity, Cytotoxicity, and Computational Evaluations","authors":"Hilal Medetalibeyoğlu ,&nbsp;Sevda Manap ,&nbsp;Muzaffer Alkan ,&nbsp;Murat Beytur ,&nbsp;Neslisah Barlak ,&nbsp;Omer Faruk Karatas ,&nbsp;Burak Tüzün ,&nbsp;Haydar Yüksek ,&nbsp;Parham Taslimi","doi":"10.1080/10406638.2024.2412217","DOIUrl":"10.1080/10406638.2024.2412217","url":null,"abstract":"<div><div>Hypopharyngeal cancer is rare subtype of head and neck cancers with relatively poor prognosis. Current therapeutic modalities lack the potential to provide patients with better clinical outcome and quality of life. This study was conducted on the synthesis of 2-methoxy-4-((3-alkyl(aryl)-5-oxo-1<em>H</em>-1,2,4-triazol-4(5<em>H</em>)-ylimino)-methyl)-phenyl-4-(2-methoxy-4-((3-alkyl(aryl)-5-oxo-1<em>H</em>-1,2,4-triazol-4(5<em>H</em>)-ylimino)-methyl)-phenyl)-4-oxobutanoates (3) using biologically important 1,2,4-triazole. The condensation of 3-alkyl(aryl)-4-amino-4,5-dihydro-1<em>H</em>-1,2,4-triazol-5-ones (1) with 4-formyl-2-methoxyphenyl-4-(4-formyl-2-methoxyphenyl)-4-oxobutanoate yielded the biologically active 2-methoxy-4-((3-alkyl(aryl)-5-oxo-1<em>H</em>-1,2,4-triazol-4(5<em>H</em>)-ylimino)-methyl)-phenyl-4-(2-methoxy-4-((3-alkyl(aryl)-5-oxo-1<em>H</em>-1,2,4-triazol-4(5<em>H</em>)-ylimino)-methyl)-phenyl)-4-oxobutanoates (3). The compounds obtained were analyzed <em>via</em> FT-IR,<sup>1</sup>H-/<sup>13</sup>C-NMR spectrometers, elemental analysis, and HRMS spectroscopic techniques. Furthermore, we aimed at investigating the potential of compounds <strong>3a-g</strong> against FaDu hypopharyngeal cancer cells. We demonstrated that compounds <strong>3c</strong>, <strong>3e</strong>, and <strong>3 g</strong> had relatively lower IC<sub>50</sub> values compared to the remaining tested compounds and more importantly their IC<sub>50</sub> values were comparable to 5-FU, which suggests them as important therapeutic agent candidates. These newly synthesized compounds were assessed for their inhibitory activities toward two human carbonic anhydrase isoforms I and II (hCA I and II). Then, molecular docking calculations were made to compare the biological activities of studied molecules against cancer proteins. Compound <strong>3c</strong> has a docking score of −7.15 against squamous cell carcinoma protein with ID: 2DO4 and −5.49 docking score against squamous cell carcinoma protein with ID:5PJZ. ADME/T analysis was performed to examine the drug properties of studied molecules.</div></div>","PeriodicalId":20303,"journal":{"name":"Polycyclic Aromatic Compounds","volume":"45 4","pages":"Pages 541-559"},"PeriodicalIF":2.4,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144510859","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
In-silico Study of Molecular Docking and Dynamics Simulations for N-Substituted Thiazolidinones Derived from (R)-Carvone Targeting PPAR-γ Protein: Synthesis and Characterization (R)-香芹酮衍生的n-取代噻唑烷酮靶向PPAR-γ蛋白的分子对接和动力学模拟的硅研究:合成和表征
IF 2.4 3区 化学
Polycyclic Aromatic Compounds Pub Date : 2025-04-21 DOI: 10.1080/10406638.2024.2415351
Yassine Riadi , Ammar A. Razzak Mahmood , Mohammed H. Geesi , Ali Oubella
{"title":"In-silico Study of Molecular Docking and Dynamics Simulations for N-Substituted Thiazolidinones Derived from (R)-Carvone Targeting PPAR-γ Protein: Synthesis and Characterization","authors":"Yassine Riadi ,&nbsp;Ammar A. Razzak Mahmood ,&nbsp;Mohammed H. Geesi ,&nbsp;Ali Oubella","doi":"10.1080/10406638.2024.2415351","DOIUrl":"10.1080/10406638.2024.2415351","url":null,"abstract":"<div><div>In this article, we have selected the monoterpene (R)-carvone combined with thiazolidinone as scaffold. Moreover, this study details the synthesis, characterization, and theoretical analysis of novel (R)-Carvone-thiazolidinone-N-substituted derivatives, sourced from natural (R)-Carvone. The compounds were identified using HRMS, and 1H- and 13C-NMR spectral data. A theoretical analysis provided insights into the stability observed experimentally. The local electronic properties and topological features of two compounds 3 and d were studied using the Multiwfn tool and CrystalExplorer software. Specifically, the electron localization function, localized orbital locator and average local ionization energy were mapped to explore electron distribution, while interaction region indicator was used to analyze intermolecular interactions. An in silico docking study was conducted on the PPAR-γ protein to evaluate the binding affinity and interactions. Furthermore, a 200 ns molecular dynamics simulation was performed to confirm the stability of the compounds within the PPAR-γ protein’s binding site. The results indicated consistent stability for all three compounds under dynamic conditions. Lastly, in silico evaluations of drug-likeness and toxicity prediction showed that all compounds adhere to the criteria of both Lipinski’s Rule of Five and Jorgensen’s Rule of Three, confirming their potential as drug candidates.</div></div>","PeriodicalId":20303,"journal":{"name":"Polycyclic Aromatic Compounds","volume":"45 4","pages":"Pages 619-644"},"PeriodicalIF":2.4,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144510860","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Novel α-Cyano-Indolyl Chalcones as Anti-Cancer Candidates, Induce G1/S Cell Cycle Arrest and Sequentially Activate Caspases-7, 8, and 9 in Breast Carcinoma 新型α-氰吲哚查尔酮在乳腺癌中作为抗癌候选者,诱导G1/S细胞周期阻滞并依次激活caspase - 7,8和9
IF 2.4 3区 化学
Polycyclic Aromatic Compounds Pub Date : 2025-04-21 DOI: 10.1080/10406638.2024.2412818
Alaa A. Kashmiry , Nada S. Ibrahim , Magda F. Mohamed , Ismail A. Abdelhamid
{"title":"Novel α-Cyano-Indolyl Chalcones as Anti-Cancer Candidates, Induce G1/S Cell Cycle Arrest and Sequentially Activate Caspases-7, 8, and 9 in Breast Carcinoma","authors":"Alaa A. Kashmiry ,&nbsp;Nada S. Ibrahim ,&nbsp;Magda F. Mohamed ,&nbsp;Ismail A. Abdelhamid","doi":"10.1080/10406638.2024.2412818","DOIUrl":"10.1080/10406638.2024.2412818","url":null,"abstract":"<div><div>Six substituted <em>α</em>-cyano-indolylchalcones have been prepared and their structures were verified by various spectral analysis tools. Compared with the standard drug 5-Fluorouracil) 5-FU(, the anticancer activity against prostate cancer (PC3) and breast cancer cell line (MCF7) was determined using the cytotoxic MTT assay. Also, the cytotoxic effect against normal melanocytes (HFB4) was studied to detect the selectivity of the compounds. Among the series, compound <strong>3e</strong> was the most active and selective one toward MCF7 (IC<sub>50</sub>= 0.18 µmole/mL, SI= 7.6). In silico studies were performed to demonstrate the inhibitory effect of compound <strong>3e</strong> on <em>EGFRK</em>, <em>CDK2,</em> and <em>MDM2</em> domains. Different molecular techniques were performed to know the efficacy of the novel <strong>3e</strong> on apoptotic death of breast carcinoma cells.</div></div>","PeriodicalId":20303,"journal":{"name":"Polycyclic Aromatic Compounds","volume":"45 4","pages":"Pages 560-579"},"PeriodicalIF":2.4,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144510861","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Protective Effect of Resveratrol Against Non-Small Cell Lung Cancer: In-Vitro and In-Silico Studies 白藜芦醇对非小细胞肺癌的保护作用:体外和计算机研究
IF 2.4 3区 化学
Polycyclic Aromatic Compounds Pub Date : 2025-04-21 DOI: 10.1080/10406638.2024.2416068
Kareena Moar , Mettle Brahma , Ganesh S. Kakde , Anuja Pant , Mulaka Maruthi , Pawan Kumar Maurya
{"title":"Protective Effect of Resveratrol Against Non-Small Cell Lung Cancer: In-Vitro and In-Silico Studies","authors":"Kareena Moar ,&nbsp;Mettle Brahma ,&nbsp;Ganesh S. Kakde ,&nbsp;Anuja Pant ,&nbsp;Mulaka Maruthi ,&nbsp;Pawan Kumar Maurya","doi":"10.1080/10406638.2024.2416068","DOIUrl":"10.1080/10406638.2024.2416068","url":null,"abstract":"<div><div>Resveratrol, a non-flavone polyphenol molecule, has been shown to be both chemotherapeutic and chemopreventive in the treatment of several forms of cancer, including lung cancer. 80% of cancers of the lungs are non-small cell lung cancers. The study was carried out to see the effects of Resveratrol in non-small cell lung cancer cells (A549) and to observe its binding as an inhibitor to Akt protein using <em>in-vitro</em> and <em>in-silico</em> studies, respectively. As per the results of Cell viability assay, which used Doxorubicin and Dexamethasone as standard drugs, Resveratrol (<em>p</em> = 0.01, <em>p</em> = 0.0051) could significantly stop lung cancer cells from growing, with IC50 values of 37.32 ± 0.8 μM. It was discovered that Resveratrol was about six times more effective than Dexamethasone, suggesting that it has a significantly higher anti-proliferative potential than this standard drug. During the Wound-closure assay, the rate of migration in the Resveratrol treatment group showed a lower migration rate at a higher concentration of 500 μM together with a change in the shape of the cell, demonstrating the concentration-dependent behavior of A549 cell growth. In the current study, it was demonstrated using Cell viability assay and Wound closure assay that Resveratrol exhibits anti-proliferative activity on A549 lung cancer cells and inhibits cancer cell proliferation in a concentration and time-dependent manner. It was also observed that Resveratrol binds to Akt protein and it inhibits the activity of Akt by interacting with the ATP-binding region of Akt protein. However, the molecular mechanism behind resveratrol’s anti-cancer benefits remains unknown. Finally, the current study may lay the groundwork for future research into the tumor suppressor resveratrol.</div></div>","PeriodicalId":20303,"journal":{"name":"Polycyclic Aromatic Compounds","volume":"45 4","pages":"Pages 681-696"},"PeriodicalIF":2.4,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144510854","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Strategic Identification of Anti-Cancer Compounds Targeting PARP15 in DNA Repair Pathways for Enhanced Therapeutic Efficacy 靶向DNA修复通路中PARP15的抗癌化合物的战略性鉴定以提高治疗效果
IF 2.4 3区 化学
Polycyclic Aromatic Compounds Pub Date : 2025-04-21 DOI: 10.1080/10406638.2024.2413032
Pradeep Sharma , Sujata Sharma , Aftab Alam , Mohammed H. Alqarni , Rima Bhardwaj , Indrakant K. Singh
{"title":"Strategic Identification of Anti-Cancer Compounds Targeting PARP15 in DNA Repair Pathways for Enhanced Therapeutic Efficacy","authors":"Pradeep Sharma ,&nbsp;Sujata Sharma ,&nbsp;Aftab Alam ,&nbsp;Mohammed H. Alqarni ,&nbsp;Rima Bhardwaj ,&nbsp;Indrakant K. Singh","doi":"10.1080/10406638.2024.2413032","DOIUrl":"10.1080/10406638.2024.2413032","url":null,"abstract":"<div><div>Cancer is a significant worldwide health concern that requires effective therapies. Addressing this critical issue necessitates innovative treatment strategies concentrating on the fundamental causes of cancer progression. The PARP15 protein is essential in cancer progression by facilitating DNA repair pathways, making it a promising target for anti-cancer therapies. This investigation relies on computational strategies, including virtual screening and molecular dynamics simulations, to identify potential inhibitors of PARP15 target protein. Three potential compounds (26646684, 104224077, and 17505556) with notable binding affinities and interaction patterns were selected for further investigation. Compound 17505556 shows significant interactions, suggesting more stable conformation throughout the simulation against the target protein. Compound 17505556 exhibited the highest binding free energy (-34.07 kcal/mol), significantly outperforming the reference inhibitor I4X (-26.70 kcal/mol). This strong binding affinity suggests that 17505556 forms stable and sustained interactions with PARP15, making it the most promising inhibitor among those studied. Other compounds, 26646684 (-28.92 kcal/mol) and 104224077 (-26.83 kcal/mol), also demonstrated favorable binding energies, indicating their potential as viable inhibitors. The overall result of the investigation suggests the compound 17505556 as a possible drug candidate for the inhibition of DNA repair protein, offering novel avenues for developing an anti-cancer drug candidate.</div></div>","PeriodicalId":20303,"journal":{"name":"Polycyclic Aromatic Compounds","volume":"45 4","pages":"Pages 580-596"},"PeriodicalIF":2.4,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144511153","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Multifunctional Pyrazolo[3,4-d]Pyrimidine Analogs (HCQ-PPs): Design, Synthesis and Anti-SARS-CoV-2 Evaluation 多功能吡唑[3,4-d]嘧啶类似物(HCQ-PPs)的设计、合成及抗sars - cov -2评价
IF 2.4 3区 化学
Polycyclic Aromatic Compounds Pub Date : 2025-04-21 DOI: 10.1080/10406638.2024.2413429
Khaled Alseud , Mahrous A. Abou-Salim
{"title":"Multifunctional Pyrazolo[3,4-d]Pyrimidine Analogs (HCQ-PPs): Design, Synthesis and Anti-SARS-CoV-2 Evaluation","authors":"Khaled Alseud ,&nbsp;Mahrous A. Abou-Salim","doi":"10.1080/10406638.2024.2413429","DOIUrl":"10.1080/10406638.2024.2413429","url":null,"abstract":"<div><div>The novel, highly infectious SARS-CoV-2 virus caused millions of deaths and infections globally. At the same time, the emerged drug repurposing strategy may ultimately not yield a significant clinical benefit. Herein, we designed and synthesized a novel class of pyrazolo[3,4-d]pyrimidines (HCQ-PPs) whose structures were verified by spectral and analytical means as novel anti-SARS-CoV-2 agents. CPE-inhibition assay emerged the 6-((2-hydroxyethyl)aminomethyl) <strong>HCQ-PP-1</strong> as the most active analog, exposing about 50% and 29% inhibition compared to remdesivir (88.75% and 70.42% inhibition) at 100 and 10 µM, respectively, indicating the pivotal role of N1, C3 and C4 functionalization. The docking results displayed a unique binding mode of <strong>HCQ-PP-1</strong> in the SARS-CoV-2 M<sup>pro</sup> binding pocket that could underlie its potential activity with FRED energies of −7.71 comparable to that of remdesivir (-6.71). Its drug-likeness properties met the criteria of Pfizer with an excellent ADMET profile. Therefore, this study presents a novel anti-SARS-CoV-2 lead compound that is worthy of further investigation and activity improvement.</div></div>","PeriodicalId":20303,"journal":{"name":"Polycyclic Aromatic Compounds","volume":"45 4","pages":"Pages 597-618"},"PeriodicalIF":2.4,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144510855","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Transformation of Eggshell Waste into Solid Base Catalyst Promoted Solvent-Free Claisen − Schmidt Condensation Reaction 蛋壳废弃物转化为固体碱催化剂促进无溶剂Claisen−Schmidt缩合反应的研究
IF 2.4 3区 化学
Polycyclic Aromatic Compounds Pub Date : 2025-04-21 DOI: 10.1080/10406638.2024.2415395
Tu Tuan Bui , Hoang-Quan Nguyen , Duy-Khiem Tran Vo , Tien-Khoa Le , Thi Xuan Thi Luu
{"title":"Transformation of Eggshell Waste into Solid Base Catalyst Promoted Solvent-Free Claisen − Schmidt Condensation Reaction","authors":"Tu Tuan Bui ,&nbsp;Hoang-Quan Nguyen ,&nbsp;Duy-Khiem Tran Vo ,&nbsp;Tien-Khoa Le ,&nbsp;Thi Xuan Thi Luu","doi":"10.1080/10406638.2024.2415395","DOIUrl":"10.1080/10406638.2024.2415395","url":null,"abstract":"<div><div>Eggshell waste has proved to be one of the most valuable natural sources due to its considerable contributions to several research fields. Herein, calcium oxide derived from various kinds of eggshell wastes has been introduced using the calcination method at different temperatures. The prepared micro- or nano-particles of calcium oxide are also characterized by XRD, FE-SEM, TEM, BET, and FT-IR techniques to clarify their morphological and structural aspects completely. With mild basicity, this bio-derived catalyst has been applied to the green synthesis of chalcones <em>via</em> the Claisen − Schmidt condensation reaction. Ultimately, the reusability of the catalyst is examined to increase the catalyst economization.</div></div>","PeriodicalId":20303,"journal":{"name":"Polycyclic Aromatic Compounds","volume":"45 4","pages":"Pages 665-680"},"PeriodicalIF":2.4,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144510857","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Impact of Fat Contents and Different Cooking Processes on the Potential Health Concerns of Polycyclic Aromatic Hydrocarbons in Chicken Doner Kebabs 脂肪含量和不同烹饪工艺对烤鸡串中多环芳烃潜在健康问题的影响
IF 2.4 3区 化学
Polycyclic Aromatic Compounds Pub Date : 2025-04-21 DOI: 10.1080/10406638.2024.2415353
Betül Karslıoğlu , Nuray Kolsarıcı
{"title":"The Impact of Fat Contents and Different Cooking Processes on the Potential Health Concerns of Polycyclic Aromatic Hydrocarbons in Chicken Doner Kebabs","authors":"Betül Karslıoğlu ,&nbsp;Nuray Kolsarıcı","doi":"10.1080/10406638.2024.2415353","DOIUrl":"10.1080/10406638.2024.2415353","url":null,"abstract":"<div><div>This study investigated the effects of different fat contents and cooking techniques on the presence of PAHs in chicken doner kebabs, as well as the dietary exposure and potential health risks for the Turkish population. The methodology for the detection and quantification of 16 PAH compounds in chicken doner samples using high-performance liquid chromatography (HPLC-UV) was validated. The limit of detection (LOD), quantification (LOQ), recovery, and relative standard deviation (RSD) were found to be 0.44%–1.14%, 1.45%–3.56%, 63.12%–101.50%, and 0.14%–3.16%, respectively. Our findings revealed that, among the analyzed compounds, BaA was the most dominant PAH compound, and that the charcoal cooking technique resulted in the highest accumulation of both BaP and PAH4 concentrations in chicken doner kebabs. Additionally, a significant increase in PAH levels was observed in relation to higher fat content. Moreover, it was found that the estimated daily intake (EDI) of BaP and PAH4 was higher in charcoal-grilled, well-done, high-fat chicken doner samples. As a result, the fact that the Margin of Exposure (MOE) values calculated for chicken doner samples across the Turkish population are above 10,000 indicates a low level of concern.</div></div>","PeriodicalId":20303,"journal":{"name":"Polycyclic Aromatic Compounds","volume":"45 4","pages":"Pages 645-664"},"PeriodicalIF":2.4,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144510856","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of Sulfur Contents on Polycyclic Aromatic Compounds in Low-Rank Bituminous Coals 硫含量对低阶烟煤中多环芳香族化合物的影响
IF 2.4 3区 化学
Polycyclic Aromatic Compounds Pub Date : 2025-04-21 DOI: 10.1080/10406638.2024.2416597
Qiaojing Zhao , Zhi Yu , Shenjun Qin , Bangjun Liu , Wenchao Shen , Yuzhuang Sun , Yanli Yang , Yongjie Niu , Xin Li , Minmin Zhang , Maxim G. Blokhin
{"title":"Effect of Sulfur Contents on Polycyclic Aromatic Compounds in Low-Rank Bituminous Coals","authors":"Qiaojing Zhao ,&nbsp;Zhi Yu ,&nbsp;Shenjun Qin ,&nbsp;Bangjun Liu ,&nbsp;Wenchao Shen ,&nbsp;Yuzhuang Sun ,&nbsp;Yanli Yang ,&nbsp;Yongjie Niu ,&nbsp;Xin Li ,&nbsp;Minmin Zhang ,&nbsp;Maxim G. Blokhin","doi":"10.1080/10406638.2024.2416597","DOIUrl":"10.1080/10406638.2024.2416597","url":null,"abstract":"<div><div>Different coal seams go through distinct biological, physical, and chemical processes. Polycyclic aromatic compounds (PACs) in coal may retain information about these processes, especially in low-rank bituminous coals. Three coal seams with different sulfur contents from the Ningwu Coalfield were studied to understand the relation of different sulfur contents with PAC formation in low-rank bituminous coals. Coal samples were extracted by solvent and separated using liquid chromatography. The collected aromatic hydrocarbon fractions were analyzed by gas chromatography (GC) and gas chromatography-mass spectrometry (GC-MS). A total of 27 sulfur-containing PACs (SPACs) were identified in the high-sulfur samples, whereas only 8 SPACs were found in the low-sulfur coal and middle-sulfur coal. The total SPACs to total PACs ratios (T-SPACs/T-PACs) are 1.15%, 2.17%, and 10.65% in the low-sulfur, middle-sulfur, and high-sulfur coal, respectively. The variations of SPAC species and their content ratios indicate that SPAC formation is controlled by the sulfur contents in the low-rank bituminous coals. A total of 18 oxygen-containing PACs (OPACs) were identified in the low-sulfur coal and middle-sulfur coal, whereas only 11 OPACs were found in the high-sulfur samples. The average ratios of OPACs to the identified aromatic compounds (T-OPACs/T-PACs) are 9.81%, 9.62%, and 6.91% in the low-, middle-, and high-sulfur coals, exhibiting a negative correlation with sulfur contents and indicating that OPACs were also influenced by sulfur contents in low-rank bituminous coals. The ratios of total contents of polycyclic aromatic hydrocarbons (PAHs) to total PACs (T-PAHs/T-PACs) are 89.1%, 88.2%, and 82.0% in the low-, middle-, and high-sulfur coals, respectively, indicating a decreasing trend from low- and middle-sulfur coal to high-sulfur coal. This variation could be caused by the reaction of PAHs and sulfur to form SPACs.</div></div>","PeriodicalId":20303,"journal":{"name":"Polycyclic Aromatic Compounds","volume":"45 4","pages":"Pages 697-722"},"PeriodicalIF":2.4,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144510858","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Recent Advancements in Microwave Assisted Synthesis of Pyrazole Analogues: An Ecological Synthetic Approach 微波辅助合成吡唑类似物的研究进展:生态合成方法
IF 2.4 3区 化学
Polycyclic Aromatic Compounds Pub Date : 2025-04-21 DOI: 10.1080/10406638.2024.2413427
Bhupender Nehra , Viney Chawla , Pooja A. Chawla , Manoj Kumar
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