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Novel 1,3-Indanedione-Thiazole Hybrids as Small-Molecule SARS-COV-2 Main Protease Inhibitors With Potential anti-Coronaviral Activity Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2024-03-07 Thoraya A. Farghaly, Ghada S. Masaret, Hanan Gaber Abdulwahab
Since arising in 2019, COVID 19 has been causing rapidly-increasing mortality and morbidity rates across the globe. Herein, novel 1,3-indanedione-thiazole hybrids were designed and synthesized as s...
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Applications of Truxene and Its Congeners in Solar Cells: A Recent Update Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2024-02-26 Rashid Ali, Shakeel Alvi, Mahim Sattar
A variety of reports on the truxene and its derivatives have marked the embarkment of the incredible modern era in diverse fields for the human welfare. Among the various potential applications of ...
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Synthesis, Characterization, Crystal Structure, and Theoretical Calculations of Novel 1,5-Benzodiazepine Derivatives Obtained via 1,3-Dipolar Cycloaddition Reactions Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2024-02-22 Samir Hmaimou, Mohamed Adardour, Marouane Ait Lahcen, Walid Ettahiri, Sanae Lahmidi, Joel T. Mague, Mustapha Taleb, Mohamed Maatallah, Abdesselam Baouid
A series of triazolo-benzodiazepine derivatives were synthesized by the condensation of 2,2,4-trimethyl-2,3-dihydro-1H-1,5-benzodiazepine (BZD) 1 with nitrilimine analogs (N-aryl-C-ethoxycarbonyl-n...
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Synthesis, Characterization and Biological Applications of New Guanidinium and Aminoguanidinium Salts of 6-Hydroxypyridine-3-Carboxylic Acid Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2024-02-19 Prabha Devi Balakrishnan, Sangeedha Appusamy, Kanchana Ponnusamy
The reaction of 6-hydroxypyridine-3-carboxylic acid with guanidine bicarbonate and aminoguanidine hydrogen carbonate, in different molar ratios (1:1, 1:2, and 2:1) yield salts of composition[GunH][...
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1,2,3-Triazolyl Phenylhydrazones as Antioxidant Agents: An Ultrasound Promoted Catalyst-Free Synthesis and Molecular Docking Study Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2024-02-13 Smita P. Khare, Tejshri R. Deshmukh, Jaiprakash N. Sangshetti, Vijay M. Khedkar, Bapurao B. Shingate
An efficient, ultrasound assisted catalyst-free, green protocol has been developed for the synthesis of 1,2,3-triazolyl phenylhydrazone derivatives under environmentally benign condition. The antio...
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An Alternative Green Method for Synthesis of 3-Amino-5-Methylisoxazole Schiff Bases and Their Bioactivity Evaluation Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2024-01-10 Kovan Dilawer Issa, Rostam Rasul Braiem
Isoxazole Schiff bases play an important role in medicinal chemistry, pharmacy, coordination chemistry, and industrial chemistry, therefore, finding easier and more reliable procedures for their sy...
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Synthesis and in Vitro Antimicrobial Evaluation of Novel Potent Bioactive Heterocyclic Compounds Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-12-26 Ahsen Zeynep Macit, Elvan Hasanoğlu Özkan, Hatice Ogutcu, Dilek Nartop
In the present work, the antibacterial and antifungal properties of six new heterocyclic Schiff bases (HSb1, HSb2, HSb3, HSb4, HSb5, HSb6) were evaluated as potential bioactive compounds against th...
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Graphite-Catalyzed Electro-Oxidation of Hydrazine Derivatives Using Sodium Chloride under Green and Sustainable Chemistry Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-12-28 Enaam Ismail Yousif, Ghadeer Sabah Bustani, A. H. Shather, Wadi B. Alonazi, Shaimaa M. Mohammed, Fatime Satar Sheri
The development of efficient and environmentally friendly catalysts for the electro-oxidation of hydrazine derivatives is of great importance in various industrial applications. In this study, we r...
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An Overview of the Synthetic Routes and Pharmacological Aspects of Pyridine, Isoxazole, Thiazole, and Indole Derivatives Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-12-22 Pallavi H.M., Zabiulla, Shaukath Ara Khanum
Heterocyclic compounds, which are a privileged class of molecules with both natural and pharmacological value, plays an essential role in drug development. Research interest on heterocycles increas...
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Discovery of Potential Inhibitors for SFRP3: Ligand-Based 3D Pharmacophore, Virtual Screening, Molecular Docking, and Dynamics Studies Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-12-20 Infant Deepthi S., Sangavi P., Priyanka G., Kirubhanand C., Nachammai KT., Gowtham Kumar S., Langeswaran K.
Cancer is a complicated and diverse family of diseases characterized by the body’s aberrant cells growing and spreading out of control. It is one of the major causes of mortality in the world and m...
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Recent Advances on Diversity Oriented Heterocycle Synthesis of Fused Quinazolinones Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-12-18 Mona H. Alhalafi
During the last decade quinazolinones derivatives have been shown to be useful building blocks for the synthesis of a variety of functionalized polynuclear heterocyclic systems. This review present...
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Molecular Engineering of Indacenodifuran-Based Non-Fullerene Acceptors for Efficient Organic Solar Cells Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-12-12 Muzammil Hussain, Muhammad Adnan, Riaz Hussain, Zobia Irshad, Azhar Ali Haidry, Aijaz Rasool Chaudhry
Energy-efficient non-fullerene acceptors attracting great attention for developing efficient organic solar cells (OSCs). Though many materials have been developed to improve the optical and optoele...
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Synthesis, Characterization, Anticancer, Pharmacokinetic, and Docking Studies of Vanillin-Benzimidazole Derivatives as Aromatase Inhibitors Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-12-11 Azizah M. Malebari, Syed Nazreen, Serag Eldin I. Elbehairi, Ahmed A. Elhenawy, Antar A. Abdelhamid, Anas Alfarsi, Ali A. Shati, Esam A. Alqurashi, Mohammad Y. Alfaifi, Mohammad Salman Akhtar, Mohammad Mahboob Alam
The current work highlights the preparation and antitumor activity of new benzimidazole derivatives of the natural product vanillin as a novel aromatase inhibitor. All the newly reported hybrids we...
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Synthesis and Characterization of Polyazothiazole and Polyacetyltetrazine from Novel Bis-Ketohydrazonoyl Dichlorides Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-12-11 Abdelwahed R. Sayed, Olivia McNair, Jeffrey S. Wiggins
The present work describes the preparation and characterization of new polyazothiazole and polyacetyltrazine polymers in good yields from new bis-(α-ketohydrazonoyl) dichlorides. Synthesis of the n...
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Potentially Bioactive Novel Isophthalic Acid Based Azo Molecules: Synthesis, Characterization, Quantum Chemical Calculations, ADMET Properties, Molecular Docking and Molecular Dynamics Simulations Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-12-06 Mehmet Ulutürk, Çiğdem Karabacak Atay, Bülent Dede, Tahir Tilki
We report here the synthesis of the two novel molecules 5-((5-hexyl-2,4-dihydroxyphenyl)diazenyl)isophthalic acid (3a) and 5-((5-ethyl-2,4-dihydroxyphenyl)diazenyl)isophthalic acid (3b). The struct...
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Investigating Graph Invariants for Predicting Properties of Chemical Structures of Antiviral Drugs Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-28 Zahra Samiei, Fateme Movahedi
In the study of the Quantitative Structure-Activity Relationship (QSAR) model, the topological index of a molecular structure as a molecular descriptor is used to analyze their molecular characteri...
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Design, Synthesis, and Biological Testing of Pyrazoline Derivatives of Combretastatin-A4: A Quest for Anticancer, Anti-Inflammatory, and Antioxidant Agents Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-30 Sadanand N. Shringare, Hemant V. Chavan, Narendra R. Kamble, Radhakrishnan M. Tigote, Pravin S. Bhale, Mukund G. Mali, Shuddhodan N. Kadam, Kailas R. Kadam, Ganesh B. Pandhare, Amreen N. Khalifa, Nikita S. Pendpale, Makarand A. Kulkarni, Babasaheb P. Bandgar
Three groups of novel analogs of combretastatin-A4 (CA-4), viz., the N1-phenyl-pyrazoline (5a–e), N1-alkyl acetylated pyrazoline (6a–c), and N1-phenyl acetylated pyrazoline (7a–g) were designed, an...
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Synthesis of New Spiropyrrolo[3,4-b]Pyridine Derivatives Employed Multicomponent Reactions Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-30 Nafiseh Tabarsa, Ramin Zafar Mehrabian, S. Zahra Sayyed Alangi, Zinatossadat Hossaini
In this research, novel derivatives of spiropyrrolo[3,4-b]pyridine derivatives were synthesized in high yields by using multicomponent reaction (MCR) of ninhydrin, ammonium acetate, ethyl 2,4-dioxo...
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Functionalized 2-Amino-4H-1-Benzopyran-4-yl Phosphonate Scaffolds: Synthesis, Anticancer Evaluation and Computational Studies Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-27 Murali Sudileti, Mohan Gundluru, Kranthi Kumar Konidala, Venkataramaiah Chintha, Saichaithanya Nagaripati, Bakthavatchala Reddy Nemallapudi, Pabbaraju Neeraja, Grigory V. Zyryanov, Suresh Reddy Cirandur
Prostate, breast, and lung cancers are various human cancers that have been associated with SRC kinase mutations. Therefore, the development of potent and selective SRC kinase inhibitors is an exci...
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Topological Descriptors of Crystal Carbon Graphite Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-27 Sohan Lal, Vijay Kumar Bhat, Sahil Sharma
Graph theory plays an important role in modeling, designing, and analyzing the structural characteristics of any molecular structure or complex network. The numerical quantities associated with a m...
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Synthesis, Physiochemical Characterization and Biological Investigation with Quantum Chemical Computations of Benzotriazole Salicylate Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-22 Suja R., Rathika A., Joselin Beaula T., Arun Kumar A.
In the present work a new organic single crystal Benzotriazole (BTSA) was synthesized and fully characterized by means of single crystal XRD, FT-IR, FT-Raman and UV-visible spectroscopic techniques...
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An Attractive Route to Benzothiazole or Benzoxazole-Sulfide Aryls: CuFe2O4 NPs as a Highly Efficient Recoverable Nanocatalyst for Three-Component Coupling Reaction of Benzoazoles with Aryl Iodides and Sulfur Source in ChCl-Urea Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-21 F. Al-Dolaimy, Dheyaa Yahaia Alhameedi, Fadhil A. Rasen, Holya A. Lafta, Noor Kadhim Abed, Ahmed Hussien Alawadi, Ali Alsaalamy, Kasim Kadhim Alasedi, Mustafa-Saleh Shafik
Magnetic nanoparticles are efficient catalytic systems for various reactions because of their high efficiency and easy separation. Amongst magnetic nanoparticles, copper ferrite (CuFe2O4 NPs) is on...
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Novel Nano-Size Inorganic-Bioorganic Hybrids Based on Graphene Oxide and Arginine-Derived Ionic Liquids (GO@Mono-Arg Malonate and GO@di-Arg Malonate): Versatile Catalysts to Prepare Spiro[Indeno[1,2-d]Pyrimidineindoline]Ones, Spiro[Indoline-Pyrimido[4,5-d]Pyrimidine]Ones, and Dihydro-Spiro[Indoline-Pyrimidine]-Carboxylates under Solvent-Free Conditions Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-20 Mitra Rezanezhad, Kobra Nikoofar, Fatemeh Molaei Yielzoleh
In this research, two novel nano-size inorganic-bioorganic hybrids based on graphene oxide were prepared via a two-step process. The ionic liquids obtained through the reaction of arginine and malo...
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A New Azomethine Chemosensor for Naked-Eye Detection of CN− and AcOˉ: Application to Determination of Cyanide in Some Agro-Products and Poisoned Human Blood Samples Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-20 Mahsa Hassani, Hamid Khanmohammadi, Daruish Badakhshan
A new symmetrical azomethine probe, H2L, has been synthesized via a condensation reaction of N, N´-Ethylene bis (3-formyl-5-methyl salicylaldimine), with Isonicotinic hydrazide in EtOH. The anion r...
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Calculation of Topological Indices Based on the Distance of Polyacenes Without Edge Counting Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-19 Zohreh Rajabinejad, Saeed Mohammadian-Semnani
Acenes or polyacenes are a group of organic compounds and polycyclic aromatic hydrocarbons consisting of benzene (C6H6) rings that are linearly fused. They are also the building blocks of nanotubes...
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Design and Synthesis of Substituted Anilino 6-(3,4,5-Trimethoxyphenyl)Pteridine Derivatives and Invitro Evaluation as Potential Cytotoxic Agents Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-20 Shyam Kumar Gajula, Gattu Sridhar, Kiran Gangarapu, Kalyani Sambaru, Rameshwar Nimma, Shireesha Boyapati, Chandrasekhar Vasam, Satyanarayana Mavurapu
A new library of target compounds (9a-j) was designed, synthesized, and fully characterized by 1HNMR, 13CNMR, and mass spectroscopy techniques. The target compounds were screened for their cytotoxi...
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Synthesis, Cytotoxicity, Antioxidant Activity, DFT Calculations, and Docking Studies of New Pyridine-Malonate Derivatives as Potential Anticancer Agents Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-15 Ibtissem Kadi, Şekerci Güldeniz, Houssem Boulebd, Zineddine Zebbiche, Tekin Suat, Küçükbay Fatümetüzzehra, Zeynep Gönül, Hasan Küçükbay, Taoues Boumoud
A series of new pyridine-malonate derivatives were synthesized and fully characterized by 1HNMR, 13CNMR, FTIR, and elemental analysis. Their molecular geometry and chemical reactivity have been inv...
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New Chromone-Thiazolopyrimidine Hybrids as Potent TNF-α, IL-6 and PGE2 Inhibitors: Synthesis, Anti-Inflammatory Evaluation and Molecular Modeling Studies Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-16 Dina H. Dawood, Dalia O. Saleh, Gehad A. Abdel Jaleel, Eman S. Nossier
Inflammation is deemed to be a substantial and terrifying indicator of the advancement of diverse life‐threatening diseases. Regarding the preceding studies that assured the remarkable efficiency o...
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Spectroscopic Characterization, Quantum Chemical, Molecular Docking, Antibacterial and Anticancer Studies on Ethyl Coumarin-3-Carboxylate: an Antibacterial and Lung Cancer Agent Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-09 Surya S. Mohan, M.R. Meera, A. Rathika, R. Premkumar
The detailed theoretical and experimental (FT-IR, FT-Raman, UV-visible) spectroscopy analyses of the Ethyl Coumarin-3-Carboxylate (ECC) molecule were carried out. The ECC compound’s pharmacological...
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Spectroscopic Quantum Calculations Using Density Functional Theory and Molecular Docking Simulations on 2-(4-Methoxystyryl)-4,6-Bis(Trichloromethyl)-1,3,5-Triazine as Potent Inhibitor against SARS-CoV-2 Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-09 Annu, B. S. Yadav, Jayant Teotia
The present investigation is insightful in discerning the experimental and computational spectroscopic behavior of 2-(4-methoxystyryl)-4,6-bis(trichloromethyl)-1,3,5 triazine (MSTCMT) by employing ...
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Wittig Synthesis, Optical Properties and Electrochemical Behaviors of Some Conjugated Derivatives of 4-Pyrones Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-07 Zarrin Ghasemi, Zahra Fathi, Esmaeel Alipour, Habibeh Shahabi
The novel hetero-stilbene derivatives were synthesized by the Wittig reaction between 2-formyl-4-pyrones and polysubstituted imidazole-based phosphonium salts in the presence of a base. The optical...
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Fabrication of Fe3O4@AMNA-CuBr Nanocomposite as a Highly Efficient and Reusable Heterogenous Catalyst for Synthesis of Highly Substituted Oxazoles Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-07 Shakir Mahmood Saeed, F. Al-dolaimy, Nasier Sadoon, Ali Abdul Kadhim Ruhaima, Bahira Abdulrazzaq Mohammed, Fadhil A. Rasen, Ahmed Hussien Radie Alawady, Ali H. Alsalamy, Adnan M. Mustafa
Research on synthetic methods for the preparation of oxazoles is an important issue among synthetic chemists because oxazole derivatives are structural subunits of various natural active products a...
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Multi-step Synthesis of Novel Pyrazole Derivatives as Anticancer Agents Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-08 Amita K. Vyas, Kaushik S. Lunagariya, Ranjan C. Khunt
The attractiveness of pyrazole and its derivatives is increasing because of their numerous potential pharmacological applications. A novel series of pyrazole hybrid compounds (6A–6L) has been synth...
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Status, Source, and Risk Assessment of Heavy Metal(Loid)s and Polycyclic Aromatic Hydrocarbons (PAHs) in the Street Dust of Ilam, Iran Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-07 Neda Ehtemae, Navid Ghanavati, Ahad Nazarpour, Teimour Babaeinejad, Michael James Watts
A total of 25 Ilam street dust specimens were sampled to investigate the possible ecological and health risks of heavy metal(loid)s and polycyclic aromatic hydrocarbons (PAHs). We found that the av...
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Synthesis and Biological Activity of Indeno-Pyridine and Indeno-Pyran Derivatives in One-Pot Reaction Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-07 Sriramoju Shamili, Kavitha Siddoju, Sindhura Konda
The peculiar one-pot reaction involving Carbaldehydes, malononitrile, and indane 1,3-dione was used to explain the alternative synthesis of indeno-pyridine and indeno-pyran derivatives. The synthes...
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Computational, Reactivity, Fukui Function, Molecular Docking, and Spectroscopic Studies of a Novel (E)-1-Benzyl-3-(2-(Pyrindin-2-yl)Hydrazono)Indolin-2-One Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-06 Dhakshinamurthy Divya, Venkatesan Srinivasan, Arunachalam Prabakaran, Chandramohan Uma Maheswari, Thamilselvan Rajamani, Sambantham Muthu
(E)-1-benzyl-3-(2-pyridine-2-yl)hydrazono)indolin-2-one (BPHI), an aromatic moiety, were subjected to a collection of theoretical studies with the help of the Gaussian 09, GaussView 6.0, and Multiw...
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Finding the Best Proposed Mechanism for Ugi Multi-Component Reaction by DFT Study Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-08 Mohammad Nikpassand, Yas Zibaei, Leila Zare Fekri
The one-pot four-component condensation of benzoic acid (R1), aniline (R2), benzaldehyde (R3), and 2-isocyano-2-methylpropane was investigated at the B3LYP/6-311G** level to explore the reaction me...
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Synthesis and Insecticidal Assessment of Some Innovative Heterocycles Incorporating a Pyrazole Moiety Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-07 Ghada G. El-Bana, Ghada E. Abd El Ghani, Ahmed Ramadan El-Rokh, Alaa E. Hassanien
The compound 1,3-diphenyl-1H-pyrazole-4-carbaldehyde (1) was utilized as a fundamental component in the synthesis of novel N-phenyl pyrazole derivatives. Substituted N-phenyl pyrazole compounds inc...
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Synthesis, Spectroscopic Characterization, DFT, and Molecular Docking Analysis of Some Salicylideneaniline Schiff Base Derivatives as Potential Antioxidant Compounds Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-07 Marwa Benmabrouk, Saida Seridi, Yassine Aimene, Sana Almi
This study explores the synthesis and characterization of three Schiff base compounds, namely N-(2-hydroxybenzylidene)-m-chloroaniline (1), N-(2-hydroxybenzylidene)-m-nitroaniline (2), and N-(2-hyd...
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New 1,2,3‐Triazole‐Tethered Chalcone Derivatives: Synthesis, Bioevaluation and Computational Study Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-06 Ramesh A. Kawale, Hemantkumar N. Akolkar, Mubarak H. Shaikh, Vijay M. Khedkar, Deepak N. Raut, Nirmala R. Darekar, Jaidip B. Wable, Sharad N. Shelke
In search of new active molecules, a small focused library of novel 1,2,3-triazoles based chalcone derivatives has been efficiently prepared via the click chemistry approach. All the synthesized co...
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Synthesis, Characterization, Theoretical Studies and in Vitro Embriyotoxic, Genotoxic and Anticancer Effects of Novel Phenyl(1,4,6-Triphenyl-2-Thioxo-1,2,3,4-Tetrahydropyrimidin-5-yl)Methanone Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-03 Esvet Akbas, Khdir A. Othman, Fatih Çağlar Çelikezen, Nebahat Aydogan Ejder, Hasan Turkez, Omer Erkan Yapca, Adil Mardinoglu
In this study, phenyl (1,4,6-triphenyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methanone was obtained by using the Biginelli reaction method. The structure of this compound was analyzed using ele...
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Sulfamic Acid Supported Zr-MOF: An Effective Catalyst for One-Step Synthesis of Novel 6-Amino-5-(4-Amino-2-Oxo-2H-Chromen) Analogs Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-03 Masoumeh Goudarzvand Chegini, Masoud Mokhtary, Afshin Pourahmad
Sulfamic acid-functionalized Zr-MOF-NH2 was used as an active acidic metal-organic framework catalyst for the synthesis of new 6-amino-5-(4-amino-2-oxo-2H-chromen) (AAOC) analogs via a one-step rea...
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Rate of Horizontal Spread of Fluorene in a Sandy Loam under Natural Environment Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-03 Niranjan Phukon, Ambarish Dev Goswami, Bidya Chakravorty, Prahash Chandra Sarma
Rate of horizontal movement of a pollutant such as polycyclic aromatic hydrocarbons in soil plays a major role in spread of pollutants in the segments of the environment. However, the study regardi...
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Synthesis, Characterization, and Biological Evaluation of Bis(Aroyl Thiourea) Derivatives: Insights into Their Potential Applications through DFT Analysis Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-03 Moideen Musthafa, Puthiyavalappil Rasin, Ramaiah Konakanchi, Prashanth Jyothi, Rakesh Ganguly, Gowdhami Balakrishnan, Anandaram Sreekanth
This study was aimed to synthesize and characterize a series of novel bis(thiourea) compounds (1–3) featuring ortho phenylenediamine substitutions and assess their potential biological properties. ...
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Anti-Cancer Potential of Phytocompounds from Ziziphus jujuba against Lung Cancer Target Proteins: An In Silico Validation Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-01 S. Ponmani, K. Saranya, Shanmugavel Uma Maheswari, Muhammad Nasir Iqbal, Srikala Ganapathy, T. Selvankumar
Ziziphus jujuba plant belongs to Rhamnaceous family and grows mainly in Europe, southern and eastern Asia, and Australia. Recent phytochemical investigation of plants provided some information on t...
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A Catalyst-Free One-Pot Multicomponent Green Strategy for the Synthesis of Spiroindene-1,3dione-Benzochromene/ Thio-Chromene Derivatives under Neat/Aqueous Conditions Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-10-31 Manju Kamlesh Saini, Ashok Kumar Raigar, Anjali Guleria
An efficient, facile, and catalyst-free one-pot multicomponent green strategy under neat or aqueous conditions has been developed to synthesize a series of spiro compounds that contain two biologic...
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Topological Descriptors of Molecular Networks via Reverse Degree Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-10-30 Muhammad Mudassar Hassan
Porphyrazine and tetrakis porphyrazine are organic compounds with intricate ring structures. They are made up of four indole rings that fuse together to form a larger cyclic structure. These struct...
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Design, Synthesis, Spectral Analysis, Drug Likeness Prediction, and Molecular Docking Investigations of New Naphtho[2,1-b]Furan Encompassing Pyrimidines as Potential Antimicrobial Agents Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-10-29 Roopa D. L., Suliphuldevara Mathada Basavarajaiah, Punarva H. B.
In view of the extremely important biological and medicinal properties of napthofurans, the synthesis of these heterocycles has fascinated the interest of medicinal and organic chemists. Keeping th...
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The Merrifield–Simmons Index of the Fullerene Derivative Hexagonal System Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-02 Ren Shengzhang, An Yumei, Zhan Yi, Xia Lijie, Li Xia, Li Dexia
The fullerene derivative hexagonal system is obtained from fullerene Cn and hexagonal system sticked by a common edge. The Merrifield–Simmons index of a graph G is defined as the total number of th...
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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 Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-11-01 Mahaboob Basha Shaik, Thaslim Basha Shaik, Mavallur Varalakshmi, Syed Shafi Suban, Nagaraju Chamarthi
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-...
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Embedded Nickel Complex on Naturally Biodegradable Gaur Gum: Catalytic Application for the Green Synthesis of 2-Amino-3-Cyano-7-Hydroxy-4H-Chromenes Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-10-31 Avdhut Kadam, Nisha Shirke, Pramod Gaikwad, Santosh Kamble
This study reveals that the synthesis of a novel heterogeneous gaur gum-supported DABCO functionalized nickel(II)catalyst and its application for the synthesis of 2-amino-3-cyano-7-hydroxy-4H-chrom...
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Recent Development in Visible-Light Assisted, Photocatalyst Free Carbon-Heteroatom Bond Formation: review Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-10-31 Pratibha Rai, Jaya Singh, Pragati Rai, Priyanka Maurya, Jagdamba Singh
A gradual increase in the development of novel, mild, and highly proficient strategies for the synthesis of medicinally and synthetically important organic scaffolds remains a prominent goal in syn...
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On Degree-Based Topological Indices of Kagome Graphene, and Carbon Kagome Nanotubes and Nanotori Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-10-29 Eduard C. Taganap
Approaches based on graph descriptors have been used in cheminformatics and bioinformatics for molecular property prediction. In this article, we apply partition technique and simple counting schem...
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Experimental and Computational Study on the Spectroscopic Approach, Hyperpolarizabilities, NBO Analysis, ADMET Studies, and In-Silico Ligand-Protein Docking of 2,4,6-Trifluoro-5-Chloro Pyrimidine Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-10-26 K. Parimala
The 2,4,6-trifluoro-5-chloro pyrimidine (TF5CP) was chosen for extensive investigation of its theoretical and experimental vibrational assignments, structural benchmarks, and spectroscopic (FT-IR, ...
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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 Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-10-25 Chika Ossai, Chiara Frazzoli, Osazuwa Clinton Ekhator, Orish Ebere Orisakwe
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 Rive...
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Computational and Experimental Investigation of Antibacterial Properties of Some Fluorinated Thioureas Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-10-25 Anisatul Aqidah Tagiling, Wan M. Khairul, Rafizah Rahamathullah, Vigneswari Sevakumaran, Mas Mohammed, Syaharil Saidin
Herein, fluorinated thioureas with various substituents (F1-F3) were synthesized and characterized spectroscopically and analytically to investigate their properties as antibacterial agents. Prior ...
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A Review on Synthesis and Biological Applications of Quinoline Derivative as Fused Aromatic Compounds Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-10-27 Md. Mohasin, Md. Zafer Alam, Qsim Ullah, Arif Ahmad, P. Fazul Rahaman, A. Salman Khan
Quinoline is a N-containing heterocyclic organic compounds with significant biological importance in pharmaceuticals field as well as natural products. They exhibit excellent pharmacological activi...
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Synthesis, Cytotoxic, and Antioxidant Activity of Some Benzoquinoline-Based Heterocycles Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-10-27 Eman A. E. El-Helw, Mahmoud Asran, Mohammad E. Azab, Maher H. Helal, Sayed K. Ramadan
A series of benzoquinoline-based heterocycles was synthesized using 2-((3-chlorobenzo[f]quinolin-2-yl)methylene)hydrazine-1-carbothioamide as a key material via condensation of 3-chlorobenzo[f]quin...
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Computational Analysis on Molecular Stability and Binding Affinity of 3-(Aminothiazolyl)Quinolone Derivative as Multitargeting Antibacterial Agents through Ab Initio Methods and Molecular Docking Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-10-25 Prashasti Sinha, Anil Kumar Yadav
The present study deals with the application of ab initio method using density functional theory (DFT) at M06-2X/6-311++G(d,p) to characterize the considered molecule completely. Though the anti-ba...
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DFT, Molecular Docking, Molecular Dynamics Simulation, and Hirshfeld Surface Analysis of 2-Phenylthioaniline Polycycl. Aromat. Compd. (IF 2.4) Pub Date : 2023-10-24 Seraj Ahmad, Manoj Kumar, Km. Garima, Akram Ali, Himanshu Arora, S. Muthu, Saleem Javed
Utilizing NMR (1H-NMR and 13C-NMR), FT-IR, UV-Visible, and quantum chemical approaches by using the DFT technique, experiments on 2-phenylthioanline were carried out. The B3LYP method and the 6-311...