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Synthesis, Biological Validation, and Docking Studies of Novel Purine Derivatives Containing Pyridopyrimidine, Pyrazolopyridine, and Pyranonapthyridine Rings† Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2021-01-15 Vaijinath A. Verma; Bharathi Halu; Anand R. Saundane; Rajkumar S. Meti
Abstract New strategy for the synthesis of 2-(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)acetonitrile through a molecular linking with pyridopyrimidine, pyrazolopyridine, and pyranonapthyridine derivatives. The newly synthesized compounds were characterized on the basis of spectral (FT-IR, 1H, 13C NMR, Mass spectral) analyses and further screened for their antimicrobial, antioxidant, and
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Synthesis, Docking and Density Functional Theory Approaches on 1,3-Bis-3-(4-Chlorophenyl)-2,3-Dihydroquinazolin-4(1H)-on-2-Thioxopropane toward the Discovery of Dual Kinase Inhibitor Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2021-01-15 Shazia Parveen; Mohamad Hagar; Rua B. Alnoman; Hoda A. Ahmed; El Sayed H. El Ashry; Mohamed A. Zakaria
Abstract 1,3-Bis-3-(4-chlorophenyl)-2,3-dihydroquinazolin-4(1H)-on-2-thioxopropane (C), a quinazoline derivative was synthesized and well-characterized in order to evaluate its potential to act as VEGFR-2 and Aurora kinase inhibitor. 1H NMR, elemental analysis and FT-IR confirmed the structure of the synthesized compound (C). Since, VEGFR-2 plays a crucial role in angiogenesis, it is hence a significant
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Two New Polycyclic Compounds and Cytotoxic Activities of Ethanol and Ethyl Acetate Extract of Leaves of Capparis dongvanensis (Sy.) and Their Chemotaxonomic Significance Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2021-01-13 Pham Van Khang; Sy Danh Thuong; Vu Van Nhuong; Sida Shen; Lei Ma
Abstract Phytochemical investigation of a new plant, Capparis dongvanensis (Sy, B. H. Quang & D. V. Hai) of the Capparaceae family was carried out and identified two new polycyclic compounds and twelve known compounds. Among them, compounds 3 and 7 are two new polycyclic compounds, while twelve known compounds are stigmasterol (1), β-sitosterol (2), nonadecan-1-ol (4), nonacosan-1-ol (5), nonadecyl
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Ionic Liquid as Green and Recyclable Solvent for the Synthesis of Pyrazinoquinazolines: Study of Antioxidant Activity Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2021-01-13 Fatemeh Sheikholeslami-Farahani; Abdollah Sadeghi Marasht; Ali Mirabi; Maryam Ghazvini; Mohammad Hosseinnasab Rostam
Abstract The preparation of pyrazinoquinazoline derivatives are performed in high yields by four component reactions of isoquinolin-3-ylmethanamine, α-haloketones, activated acetylenic compounds and ethyl bromoacetate in ionic liquid as green media at room temperature. In addition, due to having quinazoline core in the synthesized compounds, evaluation of antioxidant activity was performed by radical
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A Novel Polyaromatic Chalcone with Multiple Functional Groups: Synthetic, Photophysical, and Computational Elucidation Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2021-01-13 Alparslan Atahan
Abstract The title polyaromatic chalcone compound (PyMQ-chalcone) was sequentially synthesized via a three steps synthetic procedure and well characterized. Structural illumination was achieved by 1D and 2D NMR techniques, FTIR, LCMS/MS, and SEM. Photophysical investigations showed that the emission capacity remarkably increased by aggregation although target compound exhibited lower emission at solution
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Synthesis, Docking and Anticancer Evaluation of New Pyridine-3-Carbonitrile Derivatives Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2021-01-13 Eman Mansour; Ahmed A. Abd-Rabou; Ibrahim F. Nassar; Safaa I. Elewa
Abstract N'-(2-((4-(Benzo[d][1, 3]dioxol-5-yl)-3-cyano-6-(naphthalen-2-yl)-pyridin-2-yl)oxy)- acetyl)benzohydrazide (6) and hydrazide derivatives (7–10) were synthesized via reaction of 3-cyano-pyridinacetohydrazide (5) with benzoylchloride and the appropriate aldehyde, respectively. Also, 4-(Benzo[d][1, 3]dioxol-5-yl)-2-(2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethoxy)-6-(naphthalen-2-yl)
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Molecular Docking and 3D-QSAR Studies on a Series of Benzenesulfonamide Derivatives as a Hepatitis B Virus Capsid Assembly Inhibitor Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2021-01-12 Chao Ma; Wen-guang Liu; Wen-ding Liu; Chang-cheng Xi; Fei Xiong; Shu-ping Zhang
Abstract In this paper, a three-dimensional quantitative structure-activity relationship (3D-QSAR) namely CoMFA and CoMSIA has been carried out on a series (43 compounds) of capsid assembly inhibitors on N-phenyl-3-sulfamoyl-benzamide-based. The statistical parameters from the models (CoMFA: r2 = 0.998, q2 = 0.625, r2 pred = 0.837; CoMSIA: r2 = 0.987, q2 = 0.645, r2 pred = 0.698) indicate that the
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New Naproxen Analogs: Synthesis, Docking and Anti-Inflammatory Evaluation Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2021-01-11 Yousry A. Ammar; Maha M. Khalifa; Sally I. Eisa; Magda M. F. Ismail
Abstract Naproxen is a well-known nonsteroidal anti-inflammatory drug belonging to aryl propanoic acid family; it nonselectively inhibits major cyclo-oxygenase (COX) isoforms causing GIT irritation as a side effect. A series of Naproxen analogs with modifiable carboxylic acid functionality (2–14) have been synthesized aiming to retain anti-inflammatory activity with reduced ulcerogenic effect. Docking
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Spectral and Theoretical Investigation of Inclusion Complex between Cinnamic Acid and Hydroxycinnamic Acids with Native Cyclodextrins Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2021-01-07 N. Rajendiran; A. Antony Muthu Prabhu; T. Mohandoss; J. Thulasidhasan; R. Baskaran
Abstract Cyclodextrins (α-CD and β-CD) effects on three hydroxycinnamic acids (2-hydroxy, 3-hydroxy and 4-hydroxy) were examined and compared with cinnamic acid (CA) by UV–visible, emission and PM3 studies. Two emission peaks were observed for CA molecules in water and in CDs solution. The shorter wavelength (SW) emission peak was appeared around 300 nm from the locally excited state and the longer
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Synthesis and UV-Visible Study of Polyhydroquinolines and 1,4-Dihydropyridines in Magnetized Distilled Water Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2021-01-06 Mohammad Bakherad; Ghadamali Bagherian; Fatemeh Mosayebi; Amin Rezaeifard; Ali Keivanloo
Abstract Magnetized distilled water (MDW), as a green solvent, was used in the Hantzsch four-component synthesis of polyhydroquinolines and the three-component synthesis of 1,4-dihydropyridine condensation reactions of 1,3-cyclohexanedione/dimedone, ethyl acetoacetate/malononitrile, aldehydes, and ammonium acetate under catalyst-free conditions. The developed synthetic technique offers numerous advantages
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Ultrasound-Mediated Green Synthesis of Novel Functionalized Benzothiazole[3,2-a]Pyrimidine Derivatives through a Multicomponent Reaction Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2021-01-04 Nagaraju Kerru; Lalitha Gummidi; Suresh Maddila; Sreekantha B. Jonnalagadda
Abstract A highly efficient green protocol is described for the development of novel benzo[4,5]thiazolo[3,2-a]pyrimidine analogues through the one-pot fusion of the 2-amino-benzothiazole with different chosen aldehydes and active methylene compounds, in ethanol medium under ultrasound irradiation conditions by using ammonium acetate as a catalyst. We achieved excellent yields (94–97%) for 24 novel
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New Convenient Routes of Hydrazonoyl Halides for the Synthesis of Novel Thiazoles and Polythiazoles Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-31 Abdelwahed R. Sayed; Sobhi M. Gomha; Yasair S. Al-Faiyz; Yasser H. Zaki
Abstract The present effort is to use good organized method for the synthesis of novel thiazoles from the reaction of different α-haloketohydrazonoyl halides with thiosemicarbazones in the basic medium at refux. In addition, new polthiazole was prepared from the reaction of 1,4-phenylene-bis(2-oxopropanehydrazonoyl chloride) with 2,2′-(1,4-phenylenebis(methanyl-ylidene))bis(hydrazine-1-carbothioamide)
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Topological Study of Polycyclic Graphite Carbon Nitride Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-31 Yu-Ming Chu; Mehwish Hussain Muhammad; Abdul Rauf; Muhammad Ishtiaq; Muhammad Kamran Siddiqui
Abstract Graphite carbon nitride (g- C 3 N 4 ) is well recognized among the most important products for photocatalytic processes, such as for CO 2 elimination, water isolation, water purification, and remediation of environment by the processing of organic contaminants, and also has remarkable characteristics including outstanding properties of optical and good thermal and physiochemical efficiency
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On Molecular Descriptors of Polycyclic Aromatic Hydrocarbon Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-29 Dongming Zhao; Muhammad Kamran Siddiqui; Imran Zulfiqar Cheema; Mehwish Hussain Muhammad; Abdul Rauf; Muhammad Ishtiaq
Abstract A molecular descriptor is a real valued number related to a molecular graph and is a structural invariant. Molecular Descriptors(Topological Indices) are the significant numerical quantities in the fields of chemical graph theory. Quantitative structure-property relationships (QSPR)and structure-activity relationships (SAR) of the polycyclic aromatic hydrocarbon compounds necessitate expressions
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Polycyclic Aromatic Hydrocarbons Formation and Mitigation in Meat and Meat Products Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-29 Samuel Ayofemi Olalekan Adeyeye; Tolulope Joshua Ashaolu
Abstract The phenomenon of polycyclic aromatic hydrocarbons (PAHs) in processed meats and meat products has been a serious concern to scientists in the last few decades. This study investigates PAHs formation and mitigation in processed meats and meat products. Common carcinogenic PAHs are Benzo[a]pyrene (B[a]P), Benzo[a]anthracene (B[a]A), Benzo[b]fluoranthene (B[b]FA), Benzo[ghi]perylene (B[ghi]P)
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Computation of the Forgotten Topological Index and Co-Index for Carbon Base Nanomaterial Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-29 Ozge Colakoglu Havare; Ali Kemal Havare
Abstract Molecular topological indices are numerical descriptor of molecular structure obtained via molecular graph G. The forgotten topological index F(G) is a vertex degree based topological index and it can be expressed with F ( G ) = ∑ d ( v ) 3 = ∑ d ( u ) 2 + d ( v ) 2 , where d(u) denotes the degree of u. The forgotten co-index Co-F(G) is defined as the sum of squares of a graph’s vertex degrees
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An Efficient Synthesis of Some New Chromene Derivatives Catalyzed by Ag2Cr2O7 Nanoparticles Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-29 Mitra Ebrahimi; Shahrzad Abdolmohammadi; Reza Kia Kojoori
Abstract An efficient synthesis of some new chromene derivatives by condensing a series of aromatic aldehydes with 4-hydroxycoumarin and 3,4-methylenedioxyphenol catalyzed by Ag2Cr2O7 nanoparticles in aqueous media at room temperature is described for the first time. Avoiding hazardous solvent, using inexpensive, recyclable and nontoxic catalyst, very mild reaction conditions, high yields of products
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Synthesis Characterization and In Vitro Antibacterial Activity of the N-Substituted Bis-Pyrazoline Derivative as Polycyclic Aromatic Compounds Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-29 Faisal M. Aqlan
Abstract N-substituted bis-pyrazolines were synthesized by the reaction of bis-chalcone with N-substituted thiosemicarbazide derivatives under basic conditions. Bis-chalcone was synthesized by the reaction of 1-(2,5-dimethylthiophen-3-yl)ethan-1-one with terephthalaldehyde under basic condition. The structure of the bis-pyrazoline derivatives has been confirmed by spectroscopic techniques such as FT-IR
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Heteropolyacid-Based Ionic Liquid [HOOCC5H4NH]3PW12O40 as the Eco-Friendly Catalyst for the One-Pot Synthesis of Xanthenediones under Solvent-Free Conditions Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-29 Masoumeh Salami; Ali Ezabadi
Abstract In this study, Keggin-type phosphotungstate-based ionic liquid [HOOCC5H4NH]3PW12O40 was synthetized using nicotinic acid and H3PW12O40 as precursors and characterized via FT-IR, 1H NMR, 13C NMR, XRD, TGA, and DTG analyses. Then, [HOOCC5H4NH]3PW12O40 was utilized as a highly effective and eco-friendly catalyst for the synthesis of xanthenediones through two-component reaction of aldehydes and
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Cu(OAc)2 Catalyzed Synthesis of Novel Chromeno [4,3-b]Pyrano[3,4-e]Pyridine-6,8-Dione Derivatives via a One-Pot Multicomponent Reaction in Water under Mild Reaction Conditions Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-29 Mohammad Hosein Sayahi; Zahra Afrouzandeh; Saeed Bahadorikhalili
Abstract An efficient method is introduced based on the copper(II) acetate catalyzed one-pot multicomponent synthesis of novel chromeno[4,3-b]pyrano[3,4-e]pyridine-6,8-dione derivatives under mild reaction conditions in water as a “green” solvent. The synthesis involves the multicomponent reaction of 4-aminocoumarin, 6-methyl-2H-pyran-2,4(3H)-dione, and aldehydes in the presence of 10 mol% of copper(II)
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An Efficient Procedure of Synthesis Acyclic C-Glycosides of Thiazolo [4, 5-b]Pyrazine and Imidazo[4,5-d]Thiazole with Expected Anti-Cancer Activities Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-29 Amira Atef Ghoneim; Abeer Gahffer Ali Hassan
Abstract In this research, we aimed to synthesize a new series of C-glycosides that have thiazole-4, 5-diamine base. C-glycosides 8 was prepared by coupling compound 7 with D-glucose in the presence of iodine used as an oxidant/promoter dissolved in acetic acid and stirring at room temperature. Compound 8 was protected by reaction with acetic anhydride in the presence of pyridine gave compound 9. Furthermore
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Microwave-Assisted Synthesis of Novel Antimicrobial N-Arylated-Pyridopyrimidines Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-28 Abdul-Malek S. Al-Tamimi; Yassine Riadi
Abstract A facile and effective method to access to the N-arylated-pyridopyrimidines starting from 4-thiol or 4-chloropyridopyrimidines under microwave irradiation, is reported. The products were obtained via two different strategies providing both exellent yields. The major advantages of this process are the short reaction time, and high productivity as well as being eco-friendly. Moreover, the obtained
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An Efficient and One-Pot Synthesis of 2-Aryl-4-Selenoxo-4H-Naphtho[2,3-e][1,3]Oxazine-5,10-Diones Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-28 Zeynab Keykha; Manoochehr Fadaeian; Alireza Hassanabadi; Mohammad Ali Ghasemzadeh
Abstract Reaction between 2-hydroxy-1,4-naphthoquinone and aroyl chlorides with potassium selenocyanate in the presence of catalytic amounts of N-methylimidazole under solvent-free conditions provided a simple and efficient one-pot route for the synthesis of 2-aryl-4-selenoxo-4H-naphtho[2,3-e][1,3]oxazine-5,10-diones. The reaction is characterized by mild conditions, short reaction time easy work-up
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Synthesis and Antioxidant Activity of Functionalized Pyridinyl-Methylthiosemicarbazide Derivatives Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-27 S. Gajalakshmi; I. V. Asharani; D. Thirumalai
Abstract A new series of 1-(6-amino-3,5-dicyano-4-(substituted)pyridin-2-yl)-4-methylthiosemicarbazide derivatives 4(a–i) was achieved by the reaction of malononitrile and 4-methyl-3-thiosemicarbazide with various aldehydes. All the newly designed compounds were structurally established by various analytical methods (IR, 1H, 13C NMR, and HRMS). Further, all the entitled derivatives were evaluated for
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Water Extract of Tamarindus Indica Seed Ash: An Agro-Waste Green Medium for One-Pot Three-Component Approach for the Synthesis of 4H-Pyran Derivatives Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-22 Bipasa Halder; Himadri Sekhar Maity; Flora Banerjee; Aditya Balasaheb Kachave; Ahindra Nag
Abstract Herein, a new, bio-mass derived sustainable feedstock was employed for the synthesis of 4H-pyran derivatives. In context of this, water extract of tamarindus indica seed ash (WETSA) has been proven as a reaction media for one-pot three-component reaction between C−H activated carbonyl compound, aryl aldehyde, and malononitrile which acts as a basic catalyst. This novel method offers several
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Benzo[a]pyrene Decomposition by UV/ZnO Process: Treatment Condition Optimization by Design of Experiments Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-21 Mohammad Javad Mohammadi; Abdolmajid Fadaei; Saeid Jalali; Hassan Shekoohmandi; Yusef Omidi Khaniabadi; Mahsa Kianizadeh
Abstract Polycyclic aromatic hydrocarbons are nonpolar organic compounds that are made of two or more benzene rings. The most dangerous and the indicator of this group is benzo[a]pyrene consisted of five interlinked benzene rings the carcinogenic effect of which is confirmed by the World Health Organization. In this study, benzo[a]pyrene (BaP) decomposition with UV/ZnO process and treatment condition
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Efficient One-Pot Synthesis of Spiro[Indoline-3,11'-Pyrazolo[3,4-a]Acridine]- 2,10'(1'H)-Dione Derivatives Catalyzed by L-Proline Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-17 Bing-Wei Wang; Lei Li; Hai-Di Liu; Dong-Sheng Chen
Abstract An efficient eco-friendly procedure for the synthesis of spiro[indoline-3,11'-pyrazolo[3,4-a]acridine]-2,10'(1'H)-dione derivatives has been developed through a one-pot three-component condensation of 1H-indazol-6-amine, isatin, and 5,5-dimethyl cyclohexane-1,3-dione or cyclohexane-1,3-dione, in the presence of catalytic amount L-proline in EtOH at 60 °C conditions. The advantages of this
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Novel Asymmetric Thiazolyl-Substituted Penta-1,4-Dien-3-Ones and 3,5-Diaryl-2-Pyrazolines Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-16 Oleksii O. Kolomoitsev; Volodymyr M. Kotlyar; Dmytro O. Tarasenko; Andrey O. Doroshenko
Abstract Various diaryl/hetaryl representatives of penta-1,4-dien-3-one series attract the attention of synthetic chemists during several decades owing to the possibility of their consequent chemical modification resulted in obtaining compounds of potential interest to materials science. In addition to their synthetic importance, title diarylideneacetones can be applied directly as medical drugs, such
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A Study on Polycyclic Aromatic Hydrocarbon and Heavy Metal Concentrations of Commercial Grilled Meat (Suya) and Smoked Catfish (Clarias gariepinus Burchell, 1822) Fish from South-West, Nigeria Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-15 Samuel Ayofemi Olalekan Adeyeye; Tolulope Joshua Ashaolu
Abstract This study was undertaken to assess polycyclic aromatic hydrocarbon (PAH) and heavy metal concentrations of commercial grilled meat (suya) and smoked catfish (Clarias gariepinus Burchell, 1822) from South-West, Nigeria. A total of 100 samples of grilled meat and 100 samples of smoked catfish were collected purposively from five major cities in South-West, Nigeria between July and October,
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First-Principle Studies of Istradefylline with Emphasis on the Stability, Reactivity, Interactions and Wavefunction-Dependent Properties Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-09 Nabil Al-Zaqri; T. Pooventhiran; Ali Alsalme; D. Jagadeeswara Rao; Siriki Srinivasa Rao; A. Sankar; Renjith Thomas
Abstract Dermal fibrosis and Parkinson's disease are two chronic syndromes affecting a large population leading to systematic morbidity. The mechanisms of these diseases are well debated, and many medicines are in the market for managing them. Recently, istradefylline was approved by the FDA as a medicine for the management of aforesaid disorders. But the detailed structure and reactivity profile of
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Preparation and Application of Nano-AlPO4/Ti (IV) as a New and Recyclable Catalyst for the Four-Component Synthesis of Dihydropyrano[2,3-c]Pyrazoles Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-09 Maryam Mehravar; Bi Bi Fatameh Mirjalili; Elaheh Babaei; Abdolhamid Bamoniri
Abstract In this work, nano-AlPO4/Ti(IV) (NAPT) as a new nanocomposite was prepared and then characterized by FT-IR, XRD, FESEM, TEM, BET and TGA. This nano-catalyst was used for synthesis of dihydropyrano[2,3-c]pyrazole (DHPP) derivatives by one-pot four component reaction of aldehyde, ethyl acetoacetate, malononitrile and hydrazine hydrate. An uncomplicated work-up, high yields of product, short
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Amide-Linked Monocarbonyl Curcumin Analogues: Efficient Synthesis, Antitubercular Activity and Molecular Docking Study Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-09 Dnyaneshwar D. Subhedar; Mubarak H. Shaikh; Amol A. Nagargoje; Satish V. Akolkar; Sujit G. Bhansali; Dhiman Sarkar; Bapurao B. Shingate
Abstract An approach toward the synthesis of novel conjugates of 3,5-bis (arylidene)-4-piperidones (DAP) pharmacophore with amide-linkage has been developed via one-pot multicomponent reaction of aryl aldehydes, piperidinone and 2-chloro-N-phenylacetamide using [Et3NH][HSO4] as a catalyst/medium. Both substitutions on arylidene rings and piperidinone nitrogen (substituted 2-chloro-N-phenylacetamide)
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M-Polynomials and Topological Indices of Styrene-Butadiene Rubber (SBR) Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-09 M. C. Shanmukha; A. Usha; N.S. Basavarajappa; K.C. Shilpa
Abstract It includes the study of most versatile kind of rubber namely, Styrene-Butadiene rubber (SBR) for which the M-polynomials and various topological indices are determined and depicted using graphs. The repeat units of styrene and butadiene are classified as three different entities viz., A : [ C H 2 − C H ( C 6 H 5 ) ] n ; B : [ C H 2 − C H ( C H = C H 2 ) ] n and C : [ C H 2 − C H = C H − C
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Bounds of Some Degree Based Indices of Lexicographic Product of Some Connected Graphs Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-09 Hafiz Muhammad Afzal Siddiqui; Shakila Baby; Muhammad Faisal Nadeem; Muhammad Kashif Shafiq
Abstract There are different mathematical tools to establish a numeric correlation between a chemical structure and its properties. A topological index is such a successful tool. It represents a graph in form of a single real number. In QSAR/QSPR study, the bioactivity of chemical compounds is predicted, using physico-chemical properties and topological indices. In this area of research, graph theory
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Synthesis of New Thiazole and Pyrazole Clubbed 1,2,3-Triazol Derivatives as Potential Antimycobacterial and Antibacterial Agents Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-08 Shivaji M. Jagadale; Yogita K. Abhale; Hari R. Pawar; Abhijit Shinde; Vivek D. Bobade; Abhijit P. Chavan; Dhiman Sarkar; Pravin C. Mhaske
Abstract New series of 4-methyl-2-(4-substituted phenyl)-5-(4-((4-(4-substituted phenyl)-1H-1,2,3-triazol-1-yl)methyl)-1-phenyl-1H-pyrazol-3-yl)thiazole, 6a-t and 4-(1,3-diphenyl-1H-pyrazol-4-yl)-1-((1,3-diphenyl-1H-pyrazol-4-yl)methyl)-1H-1,2,3-triazole, 11a-o derivatives have been synthesized by applying copper-catalyzed [3 + 2] cycloaddition reaction. The newly synthesized 1,3-thiazolyl-pyrazolyl-1
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Solvent-free Synthesis and DFT Studies on Mechanistic Pathway of 4-Aryl-4,10-Dihydroindeno[1,2-b]Pyrazolo[4,3-e]Pyridin-5(1H)-ones Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-08 Mohammad Nikpassand; Leila Zare Fekri; Parissa Naddaf Rahro
Abstract A novel, efficient, and grind stone procedure for the synthesis of pyrazolo[4,3-e]pyridine compounds at room temperature was reported. This methodology offers several advantages such as mild conditions, excellent yields, simple procedure, and reduced environmental consequences. The structures of synthesized 4-Aryl-4,10-dihydroindeno[1,2-b]pyrazolo[4,3-e]pyridin-5(1H)-ones were confirmed by
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Binding Characteristics of Dibenzo[a,h]Anthracene with DNA In Vitro: Investigated by Spectroscopic and Magnetic Bead Methods Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-07 Hui Yu; Junsheng Li; Guoxia Huang; Liujuan Yan; Ji Ma
Abstract In this study, the interacting characteristics of dibenzo[a,h]anthracene (DBA) with free DNA in vitro were investigated through multiple conventional spectroscopic techniques. UV–vis absorption spectroscopy was used to initially explore whether there was an interaction between DBA and DNA. Fluorescence spectroscopy was exploited to explore the binding characteristics and binding force between
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1,4 Butanesultone Functionalized Graphitic Carbon Nitride: Efficient Catalysts for the One-Pot Synthesis of 1,4-Dihydropyridine and Polyhydroquinoline Derivative through Hantzsch Reaction Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-04 Monavar Rahmati; Hossein Ghafuri; Nastaran Ghanbari; Zeinab Tajik
Abstract In this research, covalently linked sulfonic acid (SO3H) modified g-C3N4 nanosheet (CNNs) catalysts was prepared. For this purpose, graphitic carbon nitride nanosheets (CNNs) were successfully synthesized. By the reaction of synthesized CNNs with 1,4-butane-sultone, CNNs-Bu-SO3H organocatalyst was produced. The synthesized organocatalyst was characterized by FTIR, EDS, XRD, FESEM, and TGA
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Catalyst-Free Three-Component Tandem Green Synthesis of Pyrano[2,3-d]Pyrimidine Scaffolds in Ethylene Glycol (E-G) as a Recyclable Reaction Medium Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-04 Farzaneh Mohamadpour
Abstract A green, efficient and convenient synthesis of pyrano[2,3-d]pyrimidine scaffolds has been developed via one-pot three-component reaction of aryl aldehyde derivatives, malononitrile with barbituric acid/1,3-dimethylbarbituric acid using ethylene glycol (E-G) as a solvent as well as catalyst. Eighteen pyrano[2,3-d]pyrimidine scaffolds were selected for the library validation. The superiority
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Synthesis and Characterization of New Amidrazones Based on [4,4'-Bithiazole]-2,2'-Diamine Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-03 Abdelwahed R. Sayed; Sukinah H. Ali; Yasair S. Al-Faiyz
Abstract A series of new amidrazones were prepared by the reaction of [4,4'-bithiazole]-2,2'-diamine with hydrazonoyl chlorides under suitable conditions. The spectral results and the electronic absorption data proved the postulated structures of the resulting compounds. The final compounds are described in the synthetic schemes. The chemical structures of the final products are identified by different
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Biscoumarin Derivatives as Potent anti-Microbials: Graphene Oxide Catalyzed Eco-Benign Synthesis, Biological Evaluation and Docking Studies Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-03 Jay Soni; Nusrat Sahiba; Ayushi Sethiya; Pankaj Teli; Dinesh Kr. Agarwal; Anu Manhas; Prakash Chandra Jha; Deepkumar Joshi; Shikha Agarwal
Abstract A heterogeneous, inexpensive and eco-friendly graphene oxide (GO) catalyst empowered the formation of bioactive biscoumarin derivatives involving domino Knoevenagel–Michael condensation using 4-hydroxycoumarin and aromatic aldehydes in H2O: EtOH solvent system. The prepared GO was well characterized by Fourier transform infrared (FT-IR), X-ray diffraction spectroscopy (XRD), field emission
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KF/CP Nanoparticles Promoted Three Component Green Synthesis of Chromene Derivatives Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-02 Samanehsadat Sharifi; Malek Taher Maghsoudlou; Nourallah Hazeri
Abstract In this research work, was utilized green process for the synthesis of chromen derivatives is illustrated using one-pot reactions of anthranilic acid, 2-hydroxyacetophenone or its derivatives and dimethyl carbonate in the vicinity of catalytic amount of KF/Clinoptilolite nanoparticles in water as green solvent at 80 °C in short time. This procedure that is described here have some advantages
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On Topological Analysis of Graphite Carbon Nitride via Degree Based Coindices Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-02 Mehwish Hussain Muhammad; Yu-Ming Chu; Xiao-Lan Chen; Lingbo Qu; Bing Yu; Muhammad Kamran Siddiqui; Muhammad Nasir
Abstract Graphite carbon nitride is well recognized among the most important products for photocatalytic processes, such as for CO2 elimination, water isolation, water purification, and remediation of environment by the processing of organic contaminants and also have remarkable characteristics including outstanding properties of optical and good thermal and physiochemical efficiency with broad applications
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Novel Tricyclic 2-Alkoxy-8-methyl-6-(pyrrolidin-1-yl)-4H-[1,2,4]triazolo[5,1-f]purine Derivatives: Synthesis and Characterization Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-02 Sara Bigonah-Rasti; Seddigheh Sheikhi-Mohammareh; Kayvan Saadat; Ali Shiri
Abstract A convenient approach for the synthesis of diversely functionalized [1,2,4]triazolo[5,1-f]purine heterocyclic framework have been accomplished. The products were obtained through the combination of 5-amino-3-(methylthio)-1H-1,2,4-triazole with 5-bromo-2,4-dichloro-6-methylpyrimidine followed by a SNAr alkoxylation of the novel tricyclic heterocyclic core with various aliphatic alcohols. All
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Synthesis, Characterization, and Biological Evaluation of Osmium(IV) Pyrazole Carbothioamide Complexes Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-02 Bharat H. Pursuwani; Bhupesh S. Bhatt; Foram U. Vaidya; Chandramani Pathak; Mohan N. Patel
Abstract Osmium(IV) pyrazole carbothioamide complexes with different substituted pyrazole carbothioamide heterocyclic ligands have been synthesized and characterized. The ligands have been characterized using 1H-NMR, 13C-APT, LC-MS, elemental analysis, and IR spectroscopy. Whereas, osmium(IV) compounds have been characterized using ESI-MS, ICP-OES, IR spectroscopy, magnetic, and conductance measurements
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Regioselective Synthesis of Some 3-Thioxo-8-Nitro-(2H)-1,2,4-Triazino[5,6-b]Indole Derivatives and Their Antibacterial Activity Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-02 Wafa A. Bawazir; Daniyah K. Alnajjar
Abstract A novel N 2-alkyl-3-thioxo-8-nitro-1,2,4-triazino[5,6-b]indoles and 3-alkylated 3-thioxo-8-nitro-1,2,4-triazino[5,6-b]indoles (2–13) were obtained by treatment of 8-nitro-1,2,4-triazino[5,6-b]indole-3-(2H,5H)thione (1) using various alkylating agents and different regioselective conditions. The chemical reactivity of compound 1 toward some nucleophilic and electrophilic compounds such as isothiocyanates
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Quantum Chemical, Vibrational Spectroscopic and Molecular Docking Studies of 1-(Diphenylmethyl)Piperazine Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-02 B R. Raajaraman; N. R. Sheela; S. Muthu
Abstract The experimental spectral studies and quantum level theoretical studies were carried out by Density Functional Theory on the compound 1-(diphenylmethyl)piperazine (1DPMP). The optimized geometry and the vibrational frequencies have been computed by the Density Functional Theory with B3LYP method and 6-311++G(d,p) basis set. The observed values of 1H and 13C chemical shifts were compared with
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Extremal Values of the General Harmonic Index and General Sum-Connectivity Index of f-Benzenoids Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-02 Qingfang Ye; Fengwei Li; Ruixuan Ye
Abstract The general harmonic index and general sum-connectivity index are two degree-based topological indices which reflect certain structural features of organic molecules. A fluoranthene-type benzenoid system (f-benzenoid) is a polycyclic conjugated system obtained by joining two ordinary benzenoid hydrocarbons so as to form a five-membered ring. In this paper, by virtue of molecular structural
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Nano-Fe3O4–Cysteine as a Superior Catalyst for the Synthesis of Indeno[1,2-c]pyrazol-4(1H)-ones Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-02 Javad Safaei-Ghomi; Seyyed Mohammad Ebrahimi
Abstract Nano-Fe3O4–l-cysteine as a superior catalyst has been used for the synthesis of indeno [1,2-c]pyrazol-4(1H)-ones through a three-component reaction of phenylhydrazine, aromatic aldehydes and indan-1,2,3-trione at room temperature in acetonitrile. The catalyst has been characterized by XRD, FT-IR, SEM, EDS, TGA and VSM. This method provides several advantages including mild reaction conditions
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Synthesis, Characterization, and Antimicrobial Activity of New Thienopyrimidine Derivatives Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-01 Mostafa Ahmed; Mostafa Sayed; Ahmed F. Saber; Reda Hassanien; Adel M. Kamal El-Dean; Mahmoud S. Tolba
Abstract Nowadays heterocyclic compounds containing pyrimidine scaffold attract the interest of many organic chemists due to their strong biological activity, so herein we present the synthesis of new polycyclic compounds starting from 4-chloro-9-phenyl-N-(p-tolyl)pyrimido[5',4':4,5]thieno[3,2-d][1,2,3]triazin-7-amine (1) which allowed to react with hydrazine hydrate to give hydrazinyl triazine compound
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Preparation, Characterization and Application of Silica-Supported Tungstophosphoric (HPW/SiO2) Acid Catalyst to the Synthesis of 1, 8-Dioxoacridine Carboxylic Acid Derivatives in Semi Aqueous Condition Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-01 Mshari Alotaibi; Md. Afroz Bakht; Abdulrahman I. Alharthi; Mohammed H. Geesi; Israf Uddin; Hanan A. Albalwi; Yassine Riadi
Abstract An efficient, recyclable silica supported tungstophosphoric acid (HPW/SiO2) catalyst was prepared by simple stirring method. The catalyst was characterized using FT-IR, X-ray diffraction (XRD), Brunauer–Emmett–Teller (BET), and scanning electron microscopy (SEM) techniques. The catalyst was explored in semi aqueous condition toward synthesis of 1,8-dioxoacridine carboxylic acid derivatives
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Color Characteristics and Content of Polycyclic Aromatic Hydrocarbons of Traditional Dry Fermented Sausages Throughout Processing in Controlled Conditions Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-01 Snežana Škaljac; Marija Jokanović; Vladimir Tomović; Branislav Šojić; Predrag Ikonić; Tatjana Peulić; Maja Ivić; Jelena Vranešević; Brankica Kartalović
Abstract Petrovská klobása is traditional dry fermented sausage with intense red color, what differentiate it from other products of the same type. Very important factor in traditional sausage production is smoking, providing unique surface color of Petrovská klobása. On the other hand, smoking produces certain types of potentially carcinogenic chemicals, such as polycyclic aromatic hydrocarbons (PAH)
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Design, Synthesis, and Biological Evaluation of New Indole-Acrylamide-1,2,3-Triazole Derivatives as Potential α-Glucosidase Inhibitors Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-01 Seyed Esmaeil Sadat-Ebrahimi; Hiva Babania; Maryam Mohammadi-Khanaposhtani; Mohammad Sadegh Asgari; Somayeh Mojtabavi; Mohammad Ali Faramarzi; Azadeh Yahya-Meymandi; Samaneh Zareie; Bagher Larijani; Mahmoud Biglar; Hossein Rastgar; Alireza Foroumadi; Mohammad Mahdavi
Abstract In this work, new indole-acrylamide-1,2,3-triazole derivatives 9a–j were synthesized via simple and efficient chemical reactions and screened for in vitro anti-α-glucosidase activities. All the synthesized derivatives exhibited excellent α-glucosidase inhibition in the range of IC50 = 65.0 ± 0.8 − 396.3 ± 0.7 µM as compared to the standard inhibitor acarbose (IC50 = 750.0 ± 1.5 µM). Furthermore
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Cu(II)-Containing Nano-Silica Triazine Based Dendrimer: A Green and Proficient Catalyst for the Synthesis of Propargylamines Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-01 Shima Khodsetan; Farid Moeinpour
Abstract One-pot multicomponent reactions are an attractive synthetic strategy to generate multiple molecular scaffolds. Activation of a terminal alkyne C–H bond by transition metal catalysts is a reaction of fundamental interest in organic synthesis. One of the best examples of such a process is three components coupling of aldehydes, alkynes, and amines (A3-coupling). Herein, Cu(II)-containing nano-silica
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Excessive Index of Certain Carbon Based Nanotubes Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-01 S. Maria Jesu Raja; A. Gracybaby
Abstract Chemical graph theory models have been extensively used as predictors of the properties of chemical compounds. Nanotechnology is the study of manipulating matter on an atomic and molecular scale. There are many applications of nanotechnology in the area of medicine, chemistry, energy, agriculture, information and communication, heavy industry, and consumer goods. A Kekule structure in a molecular
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On Entropy Measures of Polycyclic Hydroxychloroquine Used for Novel Coronavirus (COVID-19) Treatment Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-01 Shazia Manzoor; Muhammad Kamran Siddiqui; Sarfraz Ahmad
Abstract The molecular structure of hydroxychloroquine (HCQ) used in the treatment of malaria is recently suggested for emergency used in COVID-19. The chemical compound of HCQ is produced by chemical alteration of ethylene oxide from human products, such as waxy maize starch. The molecular graph is a graph comprising of atoms called vertices and the chemical bond between molecules is called edges
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On the Permanental Sum of the Tree-Type Polyphenyl System Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-01 Shengzhang Ren; Tingzeng Wu; Fangzhou Cao; Huping Kang; Yang Gu
Abstract Let G be a graph and A(G) the adjacency matrix of G. The polynomial π ( G , x ) = per ( x I − A ( G ) ) is called the permanental polynomial of G. The permanental sum of G is the sum of the absolute values of the coefficients of π ( G , x ) . In this article, we investigate the permanental sum of the tree-type polyphenyl system. We give some inequalities about the permanental sum of tree-type
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Synthesis and Antimicrobial Activities of Some New Bis(Schiff Bases) and Their Triazole-Based Lariat Macrocycles Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-01 Refaie M. Kassab; Faisal S. A. M. Khalil; Ashraf A. Abbas
Abstract New series of bis(amino-1,2,4-triazoles ) 5a–f were prepared by the reaction of bis(chloro) diamides 3a–d with 5-substituted-4-amino-1,2,4-triazoles-3-thiole (4a–c). Reaction of bis(amino) triazoles 5a–d with the appropriate aldehydes afforded the corresponding Schiff bases 7a–d in good yields. Similarly, cyclocondansation of bis(amino) triazoles 5a–d with 1,3-bis(2-formyphenoxy)-2-propanol
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Degree-Based Topological Aspects of Polyphenylene Nanostructures Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-01 Yu-Ming Chu; Muhammad Numan; Saad Ihsan Butt; Muhammad Kamran Siddiqui; Rizwan Ullah; Murat Cancan; Usman Ali
Abstract In a molecular graph, molecules are associated with some numerical values these values are known as topological indices. From the M-polynomial of molecular structure we can derived degree based topological indices. We can derived chemical and physical properties of chemical compound from the topological indices. To find the strain energy, melting point, boiling point, distortion and stability
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Multicomponent Synthesis of 4-Aryl-1,4-Dihydro-Oxochromeno[3,2-b] Oxoindeno[6,5-e]Pyridine Polycycl. Aromat. Compd. (IF 1.894) Pub Date : 2020-12-01 Amit Kumar; Kuldeep Mahiya; Ashok K. Prasad; Sunil K. Singh
Abstract One pot multi-component strategy has been developed for the synthesis of a small library of nineteen 4-aryl-1,4-dihydro-oxochromeno[3,2-b]oxoindeno[6,5-e]pyridine by the condensation of 4-aminocoumarin, aromatic aldehyde and indane-1,3-dione in acetic acid:ethylene glycol (5:1) in good yields along with the formation of di-(4-aminocoumarin-3-yl)arylmethane as by product in three cases. The
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