Polycyclic Aromatic Compounds最新文献_第2页

Design, Synthesis and Biological Evaluation of 4-Hydroxy-2-Thioxo-4-Trifluoromethyl-Hexahydro-Pyrimidin-5-yl]-p-Tolyl-Methanone Derivatives as Potent Anti-Inflammatory and Antimicrobial Agents 4-Hydroxy-2-Thioxo-4-Trifluoromethyl-Hexahydro-Pyrimidin-5-yl]-p-Tolyl-Methanone Derivatives as Potent Anti-Inflammatory and Anticroicroial Agents 的设计、合成和生物学评价

IF 2.4 3区化学

Polycyclic Aromatic Compounds Pub Date : 2024-10-20 DOI: 10.1080/10406638.2023.2276237

{"title":"Design, Synthesis and Biological Evaluation of 4-Hydroxy-2-Thioxo-4-Trifluoromethyl-Hexahydro-Pyrimidin-5-yl]-p-Tolyl-Methanone Derivatives as Potent Anti-Inflammatory and Antimicrobial Agents","authors":"","doi":"10.1080/10406638.2023.2276237","DOIUrl":"10.1080/10406638.2023.2276237","url":null,"abstract":"<div><div>A series of new 4-hydroxy-2-thioxo-4-trifluoromethyl-hexahydro-pyrimidin-5-yl]-p-tolyl-methanone derivatives were synthesized through one-pot three-component method using 4,4,4-trifluoro-1-p-tolyl-butane-1,3-dione, thiourea, and various substituted benzaldehydes. The structures of newly synthesized products were elucidated by spectroscopic studies such as IR, NMR (proton and carbon), mass spectra, and elemental analyses. The final products were screened for their antioxidant activity, anti-inflammatory activity against LPS-induced cell death in RAW 264.7 macrophage cell lines, antibacterial and antifungal activity using in vitro methods. The results revealed that the compounds such as 10e and 10i against DPPH and H2O2; 10a, 10e, 10h, and 10i against LPS induced inflammation in RAW 264.7 cell lines; 10a, 10b, 10c, 10d, and 10e against all the microbial strains tested have exhibited higher content of activity in vitro than the rest of the title compounds when compared to the standard drugs. In overall, 10a, and 10e have shown the most promising activity against all the systems tested. Hence, among all the title compounds, at least a few will stand as next generation antioxidant, anti-inflammatory and antimicrobial agents in future.</div></div>","PeriodicalId":20303,"journal":{"name":"Polycyclic Aromatic Compounds","volume":null,"pages":null},"PeriodicalIF":2.4,"publicationDate":"2024-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135326251","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}

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Synthesis of 11H-Benzo[b]Fluoren-11-One via an Unprecedented Cascade Reaction of O-Phthaladehyde 通过邻苯二甲醛前所未有的级联反应合成 11H-苯并[b]芴-11-酮

IF 2.4 3区化学

Polycyclic Aromatic Compounds Pub Date : 2024-10-20 DOI: 10.1080/10406638.2023.2270124

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Synthesis and Insecticidal Activity of Novel Trifluoromethylbenzimidazole Linked N-Phenylamide Compounds 新型三氟甲基苯并咪唑连接 N-苯基酰胺化合物的合成与杀虫活性

IF 2.4 3区化学

Polycyclic Aromatic Compounds Pub Date : 2024-10-20 DOI: 10.1080/10406638.2023.2273885

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Synthesis and Biological Activity of Indeno-Pyridine and Indeno-Pyran Derivatives in One-Pot Reaction 一锅反应合成茚并吡啶和茚并吡喃衍生物及其生物活性

IF 2.4 3区化学

Polycyclic Aromatic Compounds Pub Date : 2024-10-20 DOI: 10.1080/10406638.2023.2273884

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Synthesis of 1,2,4-Triazole Derivatives via 1,3-Benzothiazole-2,5-Diamine Supported on Nanocellulose as Novel Recyclable Nano Catalyst 通过纳米纤维素作为新型可回收纳米催化剂支持的 1,3-苯并噻唑-2,5-二胺合成 1,2,4-三唑衍生物

IF 2.4 3区化学

Polycyclic Aromatic Compounds Pub Date : 2024-10-20 DOI: 10.1080/10406638.2023.2270117

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Development of a New Manufacturing Route for Benzoylphenylureas and Their Key Intermediates 开发苯甲酰基苯基脲及其关键中间体的新制造路线

IF 2.4 3区化学

Polycyclic Aromatic Compounds Pub Date : 2024-10-20 DOI: 10.1080/10406638.2023.2272013

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Numerous Heterocyclic Compounds with an Isonicotinic Moiety have Been Studied for Their Synthesis, Antibacterial, Anticancer, Docking Simulation, and DFT Characteristics 研究了许多具有异烟酸分子的杂环化合物的合成、抗菌、抗癌、Docking 模拟和 DFT 特性

IF 2.4 3区化学

Polycyclic Aromatic Compounds Pub Date : 2024-10-20 DOI: 10.1080/10406638.2023.2266549

{"title":"Numerous Heterocyclic Compounds with an Isonicotinic Moiety have Been Studied for Their Synthesis, Antibacterial, Anticancer, Docking Simulation, and DFT Characteristics","authors":"","doi":"10.1080/10406638.2023.2266549","DOIUrl":"10.1080/10406638.2023.2266549","url":null,"abstract":"<div><div>In this elucidation, we focused on the synthesis of isonicotinic heterocyclic molecules through reaction of isonicotinic acid hydrazide with phthalic anhydride, which produced an excellent yield of the equivalent N-(1,3-dioxoisoindolin-2-yl)isonicotinamide (3), and isonicotinic acid hydrazide can react easily with different aldehydes to form derivatives of Schiff bases. Furthermore, the reactivity of hydrazide with CS2 which cyclized in the presence of acid to give the corresponding 1,3,4-oxadiazole in derivative 7, and the presence of NH2NH2 produced a 1H-1,2,4-triazole derivative 9 that readily reacted with phenacyl bromide with the elimination of -HBr to produce 6-phenyl-3-(pyridine-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (11). Hydrazide 1 reacts readily with many methylene compounds to produce a wide range of heterocycles. The presence of each produced heterocyclic was confirmed by spectral analysis investigation. Moreover, the synthesized compounds exhibited antimicrobial and antitumor activity against HepG2 liver tumor cells and neck squamous cell carcinoma (HNSCC) cancer cells, and the result was confirmed with different proteins through molecular docking simulation. Moreover, the optimization of the nicotinic compounds with DFT/B3LYP-631(G) basis set and determination of their physical descriptors correlated for its biological evaluation.</div></div>","PeriodicalId":20303,"journal":{"name":"Polycyclic Aromatic Compounds","volume":null,"pages":null},"PeriodicalIF":2.4,"publicationDate":"2024-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135766624","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

Computational and Experimental Investigation of Antibacterial Properties of Some Fluorinated Thioureas 一些氟化硫脲类化合物抗菌特性的计算和实验研究

IF 2.4 3区化学

Polycyclic Aromatic Compounds Pub Date : 2024-10-20 DOI: 10.1080/10406638.2023.2270114

{"title":"Computational and Experimental Investigation of Antibacterial Properties of Some Fluorinated Thioureas","authors":"","doi":"10.1080/10406638.2023.2270114","DOIUrl":"10.1080/10406638.2023.2270114","url":null,"abstract":"<div><div>Herein, fluorinated thioureas with various substituents (F1-F3) were synthesized and characterized spectroscopically and analytically to investigate their properties as antibacterial agents. Prior to experimental studies, Density Functional Theory (DFT) modeling was performed at B3LYP/6-31G (d,p) to complement and offer comparative overview with the experimental findings. With regards to all theoretical analyses, the Frontier Molecular Orbital (FMO) demonstrated a desirable low HOMO-LUMO gap for all three designated derivatives, particularly F1 (1.60 eV), which is consistent with its GCRDs values, namely its high electronegativity and low hardness values that corresponds to low LUMO energy, suggesting higher bacterial activity. Agar diffusion assay was used for the preliminary screening of in-vitro antibacterial activity against pathogenic Gram-positive and Gram-negative bacteria. All three derivates successfully inhibit at least two bacterial strains (B. cereus, S. aureus), but none were able to penetrate into E. coli. The highest inhibition rate was exhibited by F3 at 33.33 ± 0.71% against S. aureus, whilst F1 only managed to gain 29.63 ± 0.00% of inhibition rate for the same bacterium. Meanwhile, the lowest penetration rate was recorded at 1.53 ± 0.35% by F2 against B. cereus.</div></div>","PeriodicalId":20303,"journal":{"name":"Polycyclic Aromatic Compounds","volume":null,"pages":null},"PeriodicalIF":2.4,"publicationDate":"2024-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134973242","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}

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Assessment of Polycyclic Aromatic Hydrocarbons (PAHs) in Seafood from Orashi River in Omoku, Rivers State of Nigeria and Human Health Risk Assessment 尼日利亚河流州奥莫库奥拉希河海产品中的多环芳香烃 (PAH) 评估及人类健康风险评估

IF 2.4 3区化学

Polycyclic Aromatic Compounds Pub Date : 2024-10-20 DOI: 10.1080/10406638.2023.2270121

{"title":"Assessment of Polycyclic Aromatic Hydrocarbons (PAHs) in Seafood from Orashi River in Omoku, Rivers State of Nigeria and Human Health Risk Assessment","authors":"","doi":"10.1080/10406638.2023.2270121","DOIUrl":"10.1080/10406638.2023.2270121","url":null,"abstract":"<div><div>This study investigated the level of polycyclic aromatic hydrocarbons (PAHs) in seafood, namely, C. sapidus (Crab), P. mollusca (Mollusc), Cambarus sp. (Crayfish), Caridea (Shrimp) from Orashi River in Omoku, Rivers State of Nigeria. The PAHs in the samples were determined by gas chromatography–mass spectrometry. There was no variation in the relative level of PAHs congeners. The mean concentrations of individual PAHs decreased in the order: D(a,h)ant > Pyr > Fluth > B(g,h,i)p > B(a)A > B(b)f > Ind (1,2, 3)pyr > B(a)pyr > Chr > B(k)flu > Ant > Flu > Phen > Aceth > Ace > Nap. Anthracene contributed the highest PAHs values, with 51.685% in Caridea. The EDI values of B(a)P, Ʃ2PAH, Ʃ4PAH, Ʃ8PAH across all the seafood were within the maximum permissible limit recommended by EFSA; this suggests that the accumulation of the PAHs in the body system are within the permitted levels. Similarly, the HI of the PAHs congeners obtained from this study were less than 1 which is the safe limit recommended by USEPA. The total Excess Cancer Risk of the PAHs congeners obtained from this study exceeded the permissible maximum limit recommended by USEPA. This study suggests that the water may be contaminated with PAHs which have the tendency to cause non-carcinogenic and carcinogenic risk because of frequent and high consumption of seafoods.</div></div>","PeriodicalId":20303,"journal":{"name":"Polycyclic Aromatic Compounds","volume":null,"pages":null},"PeriodicalIF":2.4,"publicationDate":"2024-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135169403","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

Finding the Best Proposed Mechanism for Ugi Multi-Component Reaction by DFT Study 通过 DFT 研究寻找 Ugi 多组分反应的最佳拟议机理

IF 2.4 3区化学

Polycyclic Aromatic Compounds Pub Date : 2024-10-20 DOI: 10.1080/10406638.2023.2273886

引用次数: 0