Polycyclic Aromatic Compounds, Volume 43, Issue 10 (2023)

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Polycyclic Aromatic Compounds, Volume 43, Issue 10 (2023)

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Research Articles

Article
Ionic Liquid Catalyzed One-Pot Synthesis of 5-(4-Substituted-Phenyl)-1,3,4-Thiadiazole-2-Amines
Nayana Pahade, Devendra Wagare, D. W. Shinde & Dinesh Lingampalle
Pages: 8593-8598
Published online: 19 Dec 2022
AbstractforIonic Liquid Catalyzed One-Pot Synthesis of 5-(4-Substituted-Phenyl)-1,3,4-Thiadiazole-2-Amines | Full Text | References | PDF (657.6 KB) | EPUB | Supplemental
  • 126 Views
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Article
Experimental Spectroscopic, DFT, Molecular Docking, and Molecular Dynamics Simulation Investigations on m-Phenylenediamine (Monomer and Trimer)
Aysha Fatima, Akram Ali, Ramya Rajan, Indresh Verma, S. Muthu, Nazia Siddiqui, Pankaj Garg & Saleem Javed
Pages: 8599-8631
Published online: 01 Dec 2022
AbstractforExperimental Spectroscopic, DFT, Molecular Docking, and Molecular Dynamics Simulation Investigations on m-Phenylenediamine (Monomer and Trimer) | Full Text | References | PDF (5.1 MB) | EPUB | Supplemental
  • 225 Views
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Article
Computational Study of a Novel Compound with Thioether-Bridge
Fatih Şen, Alaaddin Cukurovalı & Yusuf Sert
Pages: 8632-8652
Published online: 30 Nov 2022
AbstractforComputational Study of a Novel Compound with Thioether-Bridge | Full Text | References | PDF (3.5 MB) | EPUB
  • 196 Views
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Article
Molecular Docking Studies and Application of 6-(1-Arylmethanamino)-2-Phenyl-4H-Chromen-4-Ones as Potent Antibacterial Agents
Nitin M. Thorat, Vinayak Shahaji Khodade, Ajit P. Ingale, Deepak K. Lokwani, Aniket P. Sarkate & Shankar R. Thopate
Pages: 8653-8666
Published online: 09 Dec 2022
AbstractforMolecular Docking Studies and Application of 6-(1-Arylmethanamino)-2-Phenyl-4H-Chromen-4-Ones as Potent Antibacterial Agents | Full Text | References | PDF (2.3 MB) | EPUB
  • 125 Views
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Article
Quantum Chemical Analysis and Effect of Super Alkali/Super Halogen Doping on the Opto-Electronic Properties of L-Lysine p-Nitrophenolatemonohydrate (LLPNP) Using First Principle
Anoop Kumar Pandey, Vijay Singh & Apoorva Dwivedi
Pages: 8667-8689
Published online: 02 Feb 2023
AbstractforQuantum Chemical Analysis and Effect of Super Alkali/Super Halogen Doping on the Opto-Electronic Properties of L-Lysine p-Nitrophenolatemonohydrate (LLPNP) Using First Principle | Full Text | References | PDF (3.1 MB) | EPUB
  • 82 Views
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Article
Synthesis, Characterization and Theoretical Investigations on the Molecular Structure, Electronic Property and anti-Trypanosomal Activity of Benzenesulphonamide-Based Carboxamide and Its Derivatives
Fredrick C. Asogwa, Ugwu D. Izuchukwu, Hitler Louis, Cosmas C. Eze, Chinedu M. Ekeleme, James A. Ezugwu, Innocent Benjamin, Solomon I. Attah, Ernest C. Agwamba, Ogechi C. Ekoh & Adedapo S. Adeyinka
Pages: 8690-8709
Published online: 05 Dec 2022
AbstractforSynthesis, Characterization and Theoretical Investigations on the Molecular Structure, Electronic Property and anti-Trypanosomal Activity of Benzenesulphonamide-Based Carboxamide and Its Derivatives | Full Text | References | PDF (2.7 MB) | EPUB
  • 205 Views
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Article
Synthesis, Electronic Structure, UV–Vis, Wave Function, and Molecular Docking Studies of Schiff Base (Z)-N-(Thiazol-2-yl)-4-((Thiophene-2-ylmethylene)Amino)Benzenesulfonamide
A. Kanagavalli, G. Thilagavathi, R. Jayachitra, N. Elangovan, S. Sowrirajan, K. R. Shadakshara Murthy & Renjith Thomas
Pages: 8710-8728
Published online: 01 Dec 2022
AbstractforSynthesis, Electronic Structure, UV–Vis, Wave Function, and Molecular Docking Studies of Schiff Base (Z)-N-(Thiazol-2-yl)-4-((Thiophene-2-ylmethylene)Amino)Benzenesulfonamide | Full Text | References | PDF (2.6 MB) | EPUB | Supplemental
  • 251 Views
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Article
Bioactive Small Molecule, Piperazinium Bis(4-Hydroxybenzenesulphonate) upon Spectral Investigation, Hirshfeld Surface Analysis, Molecular Docking and ADMET Prediction: A Complement DFT Calculations
C. Dabora Vincy, Jesby George, J. D. Deephlin Tarika, S. Balachandar, N. K. Shihab & T. Joselin Beaula
Pages: 8729-8751
Published online: 29 Nov 2022
AbstractforBioactive Small Molecule, Piperazinium Bis(4-Hydroxybenzenesulphonate) upon Spectral Investigation, Hirshfeld Surface Analysis, Molecular Docking and ADMET Prediction: A Complement DFT Calculations | Full Text | References | PDF (3.7 MB) | EPUB | Supplemental
  • 90 Views
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Article
Synthesis, Anticancer Activity, Pharmacokinetics, and Docking Study of Some New Heterocycles Linked Indole Moiety
Salwa F. Mohamed, Dina H. Elnaggar, Mohamed A. Elsayed, Heba S. Abd-Elghaffar, Hana M. Hosny, Ashraf M. Mohamed, Eman M. H. Abbas, Thoraya A. Farghaly & Raafat A. El-Awady
Pages: 8752-8771
Published online: 29 Dec 2022
AbstractforSynthesis, Anticancer Activity, Pharmacokinetics, and Docking Study of Some New Heterocycles Linked Indole Moiety | Full Text | References | PDF (3.1 MB) | EPUB
  • 190 Views
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Article
Microwave-Assisted Hantzsch-Like Synthesis of Novel Bis(Tetrahydrobenzo[4,5]Imidazo[2,1-b]Quinazolinones)
Huda Kamel Mahmoud, Noha Hamed Mohamed Selim, Ahmed H. M. Elwahy, Ismail A. Abdelhamid & Hadeer M. Diab
Pages: 8772-8784
Published online: 20 Dec 2022
AbstractforMicrowave-Assisted Hantzsch-Like Synthesis of Novel Bis(Tetrahydrobenzo[4,5]Imidazo[2,1-b]Quinazolinones) | Full Text | References | PDF (1.8 MB) | EPUB
  • 112 Views
  • 3 CrossRef citations
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Article
Effect of n-Butanol Addition to Diesel Fuel on Reduction of PAH Formation and Regulated Pollutants
Nadir Yilmaz, Francisco Vigil & Burl Donaldson
Pages: 8785-8799
Published online: 07 Dec 2022
AbstractforEffect of n-Butanol Addition to Diesel Fuel on Reduction of PAH Formation and Regulated Pollutants | Full Text | References | PDF (2.2 MB) | EPUB
  • 147 Views
  • 6 CrossRef citations
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Article
Reduction of Polycyclic Aromatic Hydrocarbons to Improve Safety of Traditional (Homemade) Smoked Dry-cured Pork Loin
Jelena Vranešević, Brankica Kartalović, Suzana Vidaković Knežević, Snežana Škaljac & Marija Jokanović
Pages: 8800-8805
Published online: 20 Dec 2022
AbstractforReduction of Polycyclic Aromatic Hydrocarbons to Improve Safety of Traditional (Homemade) Smoked Dry-cured Pork Loin | Full Text | References | PDF (519.1 KB) | EPUB
  • 75 Views
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Article
Assessment of Newly Synthesized Triazole Compounds Using ZnO(NPs) as Antimicrobial Agents and Theoretical Studies for Inhibiting COVID-19
Amr S. Abouzied, Asma M. Alzahrani, Hussein H. Abulreesh, Khaled Elbanna, Abdulwahab Alamri, Turki Al Hagbani, Ahmed Alobaida, Kareem M. Younes & Thoraya A. Farghaly
Pages: 8806-8829
Published online: 15 Dec 2022
AbstractforAssessment of Newly Synthesized Triazole Compounds Using ZnO(NPs) as Antimicrobial Agents and Theoretical Studies for Inhibiting COVID-19 | Full Text | References | PDF (4.3 MB) | EPUB | Supplemental
  • 100 Views
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Article
Fault-Tolerant Partition Resolvability in Chemical Graphs
Kamran Azhar, Sohail Zafar, Agha Kashif & Zohaib Zahid
Pages: 8830-8840
Published online: 24 Dec 2022
AbstractforFault-Tolerant Partition Resolvability in Chemical Graphs | Full Text | References | PDF (1.1 MB) | EPUB
  • 65 Views
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Article
Simultaneous Determination of 79 Polar and Non-Polar Polycyclic Aromatic Compounds in Airborne Particulate Matter by Gas Chromatography – Tandem Mass Spectrometry
Mathieu Galmiche, Alexandre Sonnette, Michel Wolf, Christophe Sutter, Olivier Delhomme, Yannis-Nicolas François & Maurice Millet
Pages: 8841-8860
Published online: 09 Dec 2022
AbstractforSimultaneous Determination of 79 Polar and Non-Polar Polycyclic Aromatic Compounds in Airborne Particulate Matter by Gas Chromatography – Tandem Mass Spectrometry | Full Text | References | PDF (2.7 MB) | EPUB | Supplemental
  • 244 Views
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Article
Four Component One Pot Synthesis of Benzyl Pyrazolyl Coumarin Derivatives Catalyzed by Metal-Free, Heterogeneous Chitosan Supported Ionic Liquid Carbon Nanotubes
Abhijeet S. Kure, Shankaraiah G. Konda, Santosh S. Chobe, Gajanan G. Mandawad & Baliram S. Hote
Pages: 8861-8872
Published online: 12 Jan 2023
AbstractforFour Component One Pot Synthesis of Benzyl Pyrazolyl Coumarin Derivatives Catalyzed by Metal-Free, Heterogeneous Chitosan Supported Ionic Liquid Carbon Nanotubes | Full Text | References | PDF (1.4 MB) | EPUB | Supplemental
  • 117 Views
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Article
Minimum Number of Kekulé Structures of Certain Benzenoid Graphs and Pr[m,n]-Polyacenic Nanotubes
S. Little Joice & S. Maria Jesu Raja
Pages: 8873-8884
Published online: 19 Dec 2022
AbstractforMinimum Number of Kekulé Structures of Certain Benzenoid Graphs and Pr[m,n]-Polyacenic Nanotubes | Full Text | References | PDF (1.3 MB) | EPUB
  • 40 Views
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Article
Highly Efficient Microwave-Assisted Synthesis of 2-Arylimidazo[1,2-a]Pyridine-3-Carbaldehydes in PEG-400
Hani Yeslam Saeed Atif, Mohammad Mohsin & Ayesha N. Durrani
Pages: 8885-8893
Published online: 30 Dec 2022
AbstractforHighly Efficient Microwave-Assisted Synthesis of 2-Arylimidazo[1,2-a]Pyridine-3-Carbaldehydes in PEG-400 | Full Text | References | PDF (1,020.4 KB) | EPUB | Supplemental
  • 86 Views
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Article
On Degree Based Topological Properties of the Molecular Structure of Polycyclic Aromatic Hydrocarbons
Akbar Jahanbani, Jafar Amjadi, Hajar Shooshtari & Roslan Hasni
Pages: 8894-8902
Published online: 23 Dec 2022
AbstractforOn Degree Based Topological Properties of the Molecular Structure of Polycyclic Aromatic Hydrocarbons | Full Text | References | PDF (986 KB) | EPUB
  • 142 Views
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Article
Synthesis, Quantum Computational Analysis and Molecular Docking of 3-(2-Hydroxyphenyl)-1-Phenyl Propanone: A Combined Experimental and Theoretical Analysis
C. Charanya, S. Sampathkrishnan, R. Kumutha, J. Praveena, A. Bhaskaran, A. Prabakaran & N. Balamurugan
Pages: 8903-8932
Published online: 23 Jan 2023
AbstractforSynthesis, Quantum Computational Analysis and Molecular Docking of 3-(2-Hydroxyphenyl)-1-Phenyl Propanone: A Combined Experimental and Theoretical Analysis | Full Text | References | PDF (3.8 MB) | EPUB | Supplemental
  • 112 Views
  • 1 CrossRef citations
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Article
Design, Spectroscopic, and Crystal Structural Characterization of New Pyrazolone-Based Schiff Bases: Molecular Docking Investigations against SARS-Covid-19 Main Proteases (PDB Ids: 6LU7 and 7TLL)
Maryam Hasanzadeh Esfahani, Liana Ghasemi, Mahdi Behzad, Eliska Skorepova & Michal Dusek
Pages: 8933-8945
Published online: 20 Dec 2022
AbstractforDesign, Spectroscopic, and Crystal Structural Characterization of New Pyrazolone-Based Schiff Bases: Molecular Docking Investigations against SARS-Covid-19 Main Proteases (PDB Ids: 6LU7 and 7TLL) | Full Text | References | PDF (2.2 MB) | EPUB | Supplemental
  • 431 Views
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Article
Synthesis, Biochemical Characterization, and in-Silico Investigations of Acyl-3-(Ciprofloxacinyl) Thioureas as Inhibitors of Carbonic Anhydrase-II
Aamer Saeed, Syeda Abida Ejaz, Maria Saeed, Pervaiz Ali Channar, Mubashir Aziz, Ammara Fayyaz, Seema Zargar, Tanveer A. Wani, Humidah Alanazi, Mona Alharbi & Jamshed Iqbal
Pages: 8946-8964
Published online: 05 Jan 2023
AbstractforSynthesis, Biochemical Characterization, and in-Silico Investigations of Acyl-3-(Ciprofloxacinyl) Thioureas as Inhibitors of Carbonic Anhydrase-II | Full Text | References | PDF (3.3 MB) | EPUB | Supplemental
  • 332 Views
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Article
Modified Graphenized Pencil Lead by CoNi2S4 Nanostructure as a SPME Fiber for Analysis of PAHs from Water Samples
Marzieh Piryaei, Hamid Amirifard & Marzieh Torabbeigi
Pages: 8965-8977
Published online: 11 Jan 2023
AbstractforModified Graphenized Pencil Lead by CoNi2S4 Nanostructure as a SPME Fiber for Analysis of PAHs from Water Samples | Full Text | References | PDF (1.5 MB) | EPUB
  • 118 Views
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Article
An Efficient and Green Synthesis of New 6-Iodo- Pyrano[2,3-d] Pyrimidine-4-Ones via a One-Pot Four-Component Reaction Followed by Iodocyclization in Water
Amin Rezaeifard, Mohammad Bakherad & Latifeh Navidpour
Pages: 8978-8988
Published online: 28 Dec 2022
AbstractforAn Efficient and Green Synthesis of New 6-Iodo- Pyrano[2,3-d] Pyrimidine-4-Ones via a One-Pot Four-Component Reaction Followed by Iodocyclization in Water | Full Text | References | PDF (1.3 MB) | EPUB | Supplemental
  • 78 Views
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Article
Synthesis, X-Ray, Spectroscopic Characterization, Hirshfeld Surface Analysis, Molecular Docking, and DFT Calculations of a New Series of 3-Hydrazono and 3-Phenylhydrazono Isatin Derivatives
Nohaila Rharmili, Aravazhi Amalan Thiruvalluvar, El Hassane Anouar, Youssef Kandri Rodi, Fouad Ouazzani Chahdi, Amal Haoudi, Joel T. Mague, Ahmed Mazzah, Nada Kheira Sebbar & El Mokhtar Essassi
Pages: 8989-9006
Published online: 09 Jan 2023
AbstractforSynthesis, X-Ray, Spectroscopic Characterization, Hirshfeld Surface Analysis, Molecular Docking, and DFT Calculations of a New Series of 3-Hydrazono and 3-Phenylhydrazono Isatin Derivatives | Full Text | References | PDF (3.2 MB) | EPUB | Supplemental
  • 149 Views
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Article
Preparation and Characterization of 2,7-Diaminophenazine Supported on Nanocellulose as Novel Recyclable Nanocatalyst for Synthesis of Isoxazolo[4,3-e]indazole Derivatives and Theoretical Study on the Mechanism using a DFT Method
Majid Mohammadnia, Hasti Aghdastinat, Sepideh Kamalzadeh & Elnaz Nabaei
Pages: 9007-9023
Published online: 24 Dec 2022
AbstractforPreparation and Characterization of 2,7-Diaminophenazine Supported on Nanocellulose as Novel Recyclable Nanocatalyst for Synthesis of Isoxazolo[4,3-e]indazole Derivatives and Theoretical Study on the Mechanism using a DFT Method | Full Text | References | PDF (3.1 MB) | EPUB | Supplemental
  • 65 Views
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Article
Ag/CdO/Fe3O4@MWCNTs Promoted Green Synthesis of Novel Triazinopyrrolothiazepine: Investigation of Antioxidant and Antimicrobial Activity
Nasrin Karami Hezarcheshmeh, Farideh Godarzbod, Naghmeh Faal Hamedani & Samaneh Vaseghi
Pages: 9024-9046
Published online: 09 Jan 2023
AbstractforAg/CdO/Fe3O4@MWCNTs Promoted Green Synthesis of Novel Triazinopyrrolothiazepine: Investigation of Antioxidant and Antimicrobial Activity | Full Text | References | PDF (2.6 MB) | EPUB
  • 125 Views
  • 11 CrossRef citations
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Article
Synthesis, Spectroscopic, Quantum Chemical, and Molecular Docking Studies of 2-Cyano-N-Cyclopropylacetamide and 2-Cyano-N-(1-Phenylethyl)Acetamide
Ghazala Khanum, Aysha Fatima, Rafiq Ahmad Rather, Nazia Siddiqui, Sambanthan Muthu, Sanjay Kumar Srivastava & Saleem Javed
Pages: 9047-9073
Published online: 28 Dec 2022
AbstractforSynthesis, Spectroscopic, Quantum Chemical, and Molecular Docking Studies of 2-Cyano-N-Cyclopropylacetamide and 2-Cyano-N-(1-Phenylethyl)Acetamide | Full Text | References | PDF (4.7 MB) | EPUB | Supplemental
  • 127 Views
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Article
Low-temperature Structural Dynamics of Isatin in Dimethyl Sulfoxide (DMSO) Using Dielectric Spectroscopy
Komal B. Kabara, Ravikant R. Karale, Suad Alwaleedy, Bunty Rani Roy, Ashok C. Kumbharkhane & Arvind V. Sarode
Pages: 9074-9086
Published online: 10 Feb 2023
AbstractforLow-temperature Structural Dynamics of Isatin in Dimethyl Sulfoxide (DMSO) Using Dielectric Spectroscopy | Full Text | References | PDF (1.4 MB) | EPUB
  • 49 Views
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Article
Diastereoselective Synthesis of Trans-1H-Chromeno[2,3-d]Pyrimidine-2,4,6(3H)-Trione Derivatives by KF/Stilbite Zeolite NPs as a Novel Heterogeneous Nanocatalyst and Evaluation of Their Antimicrobial and Antioxidant Activity
Navisa Tabarsaei, S. Zahra Sayyed-Alangi, Ali Varasteh-Moradi, Zinatossadat Hossaini & Ramin Zafar Mehrabian
Pages: 9087-9104
Published online: 23 Dec 2022
AbstractforDiastereoselective Synthesis of Trans-1H-Chromeno[2,3-d]Pyrimidine-2,4,6(3H)-Trione Derivatives by KF/Stilbite Zeolite NPs as a Novel Heterogeneous Nanocatalyst and Evaluation of Their Antimicrobial and Antioxidant Activity | Full Text | References | PDF (2.4 MB) | EPUB
  • 83 Views
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Article
Recyclization Reactions of 2-Methylchromone-3-Carbonitrile with Active Methylene Nucleophiles: Synthesis and Reactions of 4-Methylchromeno[2,3-b]Pyridines
Najla A. Alshaye & Magdy A. Ibrahim
Pages: 9105-9117
Published online: 28 Dec 2022
AbstractforRecyclization Reactions of 2-Methylchromone-3-Carbonitrile with Active Methylene Nucleophiles: Synthesis and Reactions of 4-Methylchromeno[2,3-b]Pyridines | Full Text | References | PDF (1.3 MB) | EPUB
  • 63 Views
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Article
Baker’s Yeast Promoted Facile Synthesis of Spirooxadiazepines Using Multicomponent Reactions of Ninhydrin: Investigation of Biological Activity
Neda Mashal, Javad Azizian, Kambiz Larijani, Fereshteh Nematollahi & Homa Azizian
Pages: 9118-9132
Published online: 09 Jan 2023
AbstractforBaker’s Yeast Promoted Facile Synthesis of Spirooxadiazepines Using Multicomponent Reactions of Ninhydrin: Investigation of Biological Activity | Full Text | References | PDF (1.5 MB) | EPUB
  • 155 Views
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Article
Synthesis, Characterization, Powder X-Ray Diffraction Analysis, ESR Study, Thermal Stability of Ni(II) and Fe(III) Schiff Base Ligand Complexes and Potency Study as Antibacterial and Antioxidant Agents
Bhagwat T. Vhanale & Avinash T. Shinde
Pages: 9133-9152
Published online: 23 Jan 2023
AbstractforSynthesis, Characterization, Powder X-Ray Diffraction Analysis, ESR Study, Thermal Stability of Ni(II) and Fe(III) Schiff Base Ligand Complexes and Potency Study as Antibacterial and Antioxidant Agents | Full Text | References | PDF (2.9 MB) | EPUB | Supplemental
  • 204 Views
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Article
Synthesis, Structural Characterization and Theoretical NLO Activity of N-(4-Acetyl-5-(4-(Nitro) Phenyl)-4,5-Dihydro-1,3,4-Thiadiazol-2-yl)-N-Phenyl Acetamide
Charef Tabti, Abdelmadjid Benmohammed, Nourdine Boukabcha, Necmi Dege, Ahmed Djafri, Fatima Zohra Boudjenane, Abdelkader Chouaih & Ayada Djafri
Pages: 9153-9174
Published online: 23 Dec 2022
AbstractforSynthesis, Structural Characterization and Theoretical NLO Activity of N-(4-Acetyl-5-(4-(Nitro) Phenyl)-4,5-Dihydro-1,3,4-Thiadiazol-2-yl)-N-Phenyl Acetamide | Full Text | References | PDF (2.9 MB) | EPUB | Supplemental
  • 199 Views
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Article
One-Pot Synthesis of Some New Phthalazine-Piperazine-1,2,4-Oxadiazole Hybrids: Anticancer Evaluation, Molecular Docking and ADMET Studies
Raju Samala, Satheesh Kumar Nukala, Narasimha Swamy Thirukovela, Gouthami Dasari & Srinivas Bandari
Pages: 9175-9192
Published online: 23 Dec 2022
AbstractforOne-Pot Synthesis of Some New Phthalazine-Piperazine-1,2,4-Oxadiazole Hybrids: Anticancer Evaluation, Molecular Docking and ADMET Studies | Full Text | References | PDF (1.7 MB) | EPUB
  • 158 Views
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Article
Size Exclusion Chromatography Protein Profile of Selenastrum capricornutum Culture Extracts Degrading Benzo(a)Pyrene
José Eduardo Becerril Mercado, Martha Patricia García de Llasera & Manuel Méndez García
Pages: 9193-9209
Published online: 23 Dec 2022
AbstractforSize Exclusion Chromatography Protein Profile of Selenastrum capricornutum Culture Extracts Degrading Benzo(a)Pyrene | Full Text | References | PDF (2.5 MB) | EPUB | Supplemental
  • 280 Views
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Article
Synthesis, Crystal Structure, DFT Studies on Tetramethyl-(p-Tolyl)-Hexahydro-1H-Xanthene-1,8(2H)-Dione
Aysha Fatima, Ghazala Khanum, Arun Sharma, Nazia Siddiqui, R. J. Butcher, Sanjay Kumar Srivastava & Saleem Javed
Pages: 9210-9232
Published online: 06 Jan 2023
AbstractforSynthesis, Crystal Structure, DFT Studies on Tetramethyl-(p-Tolyl)-Hexahydro-1H-Xanthene-1,8(2H)-Dione | Full Text | References | PDF (4.5 MB) | EPUB | Supplemental
  • 116 Views
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Article
Experimental and DFT Quantum Chemical Studies on Structural, Vibrational and Molecular Properties of Some Substituted 4-Phenylphenols
L. Ravindranath, K. Srishailam & B. Venkatram Reddy
Pages: 9233-9268
Published online: 30 Dec 2022
AbstractforExperimental and DFT Quantum Chemical Studies on Structural, Vibrational and Molecular Properties of Some Substituted 4-Phenylphenols | Full Text | References | PDF (3.3 MB) | EPUB | Supplemental
  • 166 Views
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Article
A Schiff Base with Polymorphic Structure (Z′ = 2): Investigations with Computational Techniques and in Silico Predictions
Songül Şahin & Nisa Nur Can
Pages: 9269-9294
Published online: 16 Jan 2023
AbstractforA Schiff Base with Polymorphic Structure (Z′ = 2): Investigations with Computational Techniques and in Silico Predictions | Full Text | References | PDF (6.6 MB) | EPUB | Supplemental
  • 181 Views
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Article
Synthesis of Highly Functionalized Imidazopyridine: A Simple One-Pot Three-Component Synthesis of 6-Hydroxy-5 -(3-Phenylimidazo[1,2-a]Pyridin-2-yl)-2-Thioxo-2, 3-Dihydropyrimidin-4(1H)-Ones
Sara Asadi, Maedeh Zebarjad & Hossein Mehrabi
Pages: 9295-9305
Published online: 11 Jan 2023
AbstractforSynthesis of Highly Functionalized Imidazopyridine: A Simple One-Pot Three-Component Synthesis of 6-Hydroxy-5 -(3-Phenylimidazo[1,2-a]Pyridin-2-yl)-2-Thioxo-2, 3-Dihydropyrimidin-4(1H)-Ones | Full Text | References | PDF (1.7 MB) | EPUB | Supplemental
  • 116 Views
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Article
The Expected Values of Augmented Zagreb and Arithmetic-Geometric Indices in Random Polyphenyl Chains
Ali Iloon Kashkooly, Maryam Atapour & Murat Cancan
Pages: 9306-9317
Published online: 28 Dec 2022
AbstractforThe Expected Values of Augmented Zagreb and Arithmetic-Geometric Indices in Random Polyphenyl Chains | Full Text | References | PDF (1.6 MB) | EPUB
  • 67 Views
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Article
Multicomponent Synthesis of Tetrahydrobenzo[b]Pyrans, Pyrano[2,3-d]Pyrimidines, and Dihydropyrano[3,2-c]Chromenes Catalyzed by Sodium Benzoate
Hanieh Ostadzadeh & Hamzeh Kiyani
Pages: 9318-9337
Published online: 29 Dec 2022
AbstractforMulticomponent Synthesis of Tetrahydrobenzo[b]Pyrans, Pyrano[2,3-d]Pyrimidines, and Dihydropyrano[3,2-c]Chromenes Catalyzed by Sodium Benzoate | Full Text | References | PDF (3.4 MB) | EPUB
  • 291 Views
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Article
Determination of Polycyclic Aromatic Hydrocarbons in Mate Tea Microencapsulated with Maltodextrin and Lasiodiplodan ((1→6) β–D-Glucan)
Maiara Zanoelo, Tatiane Luiza Cadorin Oldoni, Ana Paula Bilck, Mário Antônio Alves da Cunha & Edimir Andrade Pereira
Pages: 9338-9346
Published online: 05 Jan 2023
AbstractforDetermination of Polycyclic Aromatic Hydrocarbons in Mate Tea Microencapsulated with Maltodextrin and Lasiodiplodan ((1→6) β–D-Glucan) | Full Text | References | PDF (930.7 KB) | EPUB
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Retention and Determination of Polycyclic Aromatic Hydrocarbons from Urban Air Based on Recycled Polyurethane Foam Modified with Expanded Polystyrene
Jorge Lopez-Tellez, Israel S. Ibarra, Julian Cruz-Borbolla, Marisol Vega & Jose A. Rodriguez
Pages: 9347-9359
Published online: 03 Jan 2023
AbstractforRetention and Determination of Polycyclic Aromatic Hydrocarbons from Urban Air Based on Recycled Polyurethane Foam Modified with Expanded Polystyrene | Full Text | References | PDF (2.1 MB) | EPUB | Supplemental
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Green and Efficient Synthesis of Spiroheterocyclic Compounds from Reactions of Isatins, 3-Amino-1-phenyl-1H-pyrazol-5(4H)-one, and Monocyclic Ketones
Shuang Yang, Yani Peng, Minyang Wu, Xingyue Chen, Jing Yang, Dan Wu & Liangce Rong
Pages: 9360-9376
Published online: 04 Jan 2023
AbstractforGreen and Efficient Synthesis of Spiroheterocyclic Compounds from Reactions of Isatins, 3-Amino-1-phenyl-1H-pyrazol-5(4H)-one, and Monocyclic Ketones | Full Text | References | PDF (1.4 MB) | EPUB | Supplemental
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Green Synthetic Methods for the Cycloaddition Reactions: A Mini Review
Vrushabendra Basavanna, Sneha Puttappa, Manasa Chandramouli & Srikantamurthy Ningaiah
Pages: 9377-9398
Published online: 03 Jan 2023
AbstractforGreen Synthetic Methods for the Cycloaddition Reactions: A Mini Review | Full Text | References | PDF (3.2 MB) | EPUB
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Copper (II) Complex Immobilized on Magnetic Nanoparticles Functionalized with Imine/Thio Ligand (Fe3O4@SiO2-Imine/Thio-Cu(II)): A Novel, Efficient and Reusable Nanomagnetic Catalysts for the Synthesis of 2,4,6-Triaryl Pyridines
Indah Raya, Reena Solanki, Firas Rahi Alhachami, Abduladheem Turki Jalil & Yasser Fakri Mustafa
Pages: 9399-9412
Published online: 13 Jan 2023
AbstractforCopper (II) Complex Immobilized on Magnetic Nanoparticles Functionalized with Imine/Thio Ligand (Fe3O4@SiO2-Imine/Thio-Cu(II)): A Novel, Efficient and Reusable Nanomagnetic Catalysts for the Synthesis of 2,4,6-Triaryl Pyridines | Full Text | References | PDF (2.3 MB) | EPUB | Supplemental
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Structural, Spectroscopic, Quantum Chemical, RDG, AIM, ELF, Fukui, O–H…N Hydrogen Bonding and NLO Activity of 2-Hydroxy-2-Phenyl Acetophenone Oxime: Experimental and Theoretical Approach
Jini Pramila M, D. Arul Dhas, I. Hubert Joe & S. Balachandran
Pages: 9413-9442
Published online: 04 Jan 2023
AbstractforStructural, Spectroscopic, Quantum Chemical, RDG, AIM, ELF, Fukui, O–H…N Hydrogen Bonding and NLO Activity of 2-Hydroxy-2-Phenyl Acetophenone Oxime: Experimental and Theoretical Approach | Full Text | References | PDF (3.4 MB) | EPUB
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Theoretical Investigation of 5-Fluorouracil and Tamoxifen Complex – Structural, Spectrum, DFT, ADMET and Docking Simulation
Sureba Sukumaran, Azar Zochedh, Thimma Mohan Viswanathan, Asath Bahadur Sultan & Thandavarayan Kathiresan
Pages: 9443-9460
Published online: 04 Jan 2023
AbstractforTheoretical Investigation of 5-Fluorouracil and Tamoxifen Complex – Structural, Spectrum, DFT, ADMET and Docking Simulation | Full Text | References | PDF (3.1 MB) | EPUB | Supplemental
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Design, Synthesis and Characterization of Strontium and Cerium-Co-Doped TiO2-HAp as an Efficient Nanocomposite: Investigation of Its Photocatalytic and Catalytic Applications
Alireza Esmaeilzadeh & Felora Heshmatpour
Pages: 9461-9478
Published online: 17 Jan 2023
AbstractforDesign, Synthesis and Characterization of Strontium and Cerium-Co-Doped TiO2-HAp as an Efficient Nanocomposite: Investigation of Its Photocatalytic and Catalytic Applications | Full Text | References | PDF (3.8 MB) | EPUB
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Article
Topological Indices and QSPR Analysis of NSAID Drugs
Leena Rosalind Mary Gnanaraj, Deepa Ganesan & Muhammad Kamran Siddiqui
Pages: 9479-9495
Published online: 17 Jan 2023
AbstractforTopological Indices and QSPR Analysis of NSAID Drugs | Full Text | References | PDF (2.9 MB) | EPUB
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Synthesis, X-Ray Crystal Structure, and Identification of Potential Drug Candidate against COVID-19 Main Protease through Structure-Guided Modeling and Simulation Approach
Elham A. Al-Taifi, Hafiz Muzzammel Rehman, Etify A. Bakhite, Shaaban K. Mohamed, Guan-Yeow Yeap, Chin-Hung Lai, Joel T. Mague & Youness El Bakri
Pages: 9496-9513
Published online: 12 Jan 2023
AbstractforSynthesis, X-Ray Crystal Structure, and Identification of Potential Drug Candidate against COVID-19 Main Protease through Structure-Guided Modeling and Simulation Approach | Full Text | References | PDF (3.2 MB) | EPUB | Supplemental
  • 110 Views
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