Polycyclic Aromatic Compounds

Article	Citations
On Degree Based Topological Properties of Two Carbon Nanotubes	73
Topological Indices of Some Chemical Structures Applied for the Treatment of COVID-19 Patients	60
Modified ZSM-5 Zeolite for Conversion of LPG to Aromatics	37
On Topological Indices and QSPR Analysis of Drugs Used for the Treatment of Breast Cancer	35
Valency-Based Molecular Descriptors for Measuring the π-Electronic Energy of Lower Polycyclic Aromatic Hydrocarbons	35
Effects of Agricultural Waste Burning on PM2.5-Bound Polycyclic Aromatic Hydrocarbons, Carbonaceous Compositions, and Water-Soluble Ionic Species in the Ambient Air of Chiang-Mai, Thailand	31
Multiplicative Topological Indices of Molecular Structure in Anticancer Drugs	31
Comparative Study of Zagreb Indices for Capped, Semi-Capped, and Uncapped Carbon Nanotubes	29
On Ve-Degree and Ev-Degree Based Topological Properties of Silicon Carbide Si2C3-II[p, q]	29
Correlation Ability of Degree-Based Topological Indices for Physicochemical Properties of Polycyclic Aromatic Hydrocarbons with Applications	28
Solvent-Free One-Pot Synthesis of Diverse Dihydropyrimidinones/Tetrahydropyrimidinones Using Biginelli Reaction Catalyzed by Fe3O4@C@OSO3H	26
On Entropy Measures of Polycyclic Hydroxychloroquine Used for Novel Coronavirus (COVID-19) Treatment	25
Computational Investigations for Identification of Bioactive Molecules from Baccaurea ramiflora and Bergenia ciliata as Inhibitors of SARS-CoV-2 Mpro	25
Nickel Nanoparticles Originated from Cressa Leaf Extract in the Preparation of a Novel Melem@Ni-HPA Photocatalyst for the Synthesis of Some Chromenes and a Preliminary MTT Assay on the Anticancer Acti	24
Comparative Study of Topological Indices for Capped and Uncapped Carbon Nanotubes	24
6-methylguanamine-Supported CoFe2O4: An Efficient Catalyst for One-Pot Three-Component Synthesis of Isoxazol-5(4H)-One Derivatives	23
Computation of Degree-Based Topological Descriptors Using M-Polynomial for Coronoid Systems	23
Quantitative Structure Analysis of Some Molecules in Drugs Used in the Treatment of COVID-19 with Topological Indices	22
On Edge Version of Some Degree-Based Topological Indices of HAC5C7 [p,q] and VC5C7[p,q] Nanotubes	22
On Topological Indices of Remdesivir Compound Used in Treatment of Corona Virus (COVID 19)	22
Computing the Laplacian Spectrum of Linear Octagonal-Quadrilateral Networks and Its Applications	21
QSPR Analysis of Some Novel Drugs Used in Blood Cancer Treatment Via Degree Based Topological Indices and Regression Models	21
On Topological Descriptors and Curvilinear Regression Analysis of Antiviral Drugs Used in COVID-19 Treatment	21
Evaluation of Activity of Some 2,5-Disubstituted Benzoxazole Derivatives against Acetylcholinesterase, Butyrylcholinesterase and Tyrosinase: ADME Prediction, DFT and Comparative Molecular Docking Stud	20
QSPR Study of Ve-Degree Based End Vertice Edge Entropy Indices with Physio-Chemical Properties of Breast Cancer Drugs	20

Topological Properties of Doxorubicin Conjugated PEG-PAsp Copolymer Molecular Structure Used in Cancer Treatment	20
Molecular Modeling of the Spectroscopic, Structural, and Bioactive Potential of Tetrahydropalmatine: Insight from Experimental and Theoretical Approach	20
Cu-Modified Magnetic Creatine as an Efficient Catalyst for Regioselective Preparation of 1,2,3-Triazoles Derivatives	20
Taurine/Choline Chloride Deep Eutectic Solvent as a Novel Eco-Compatible Catalyst to Facilitate the Multi-Component Synthesis of Pyrano[2,3-d]Pyrimidinone (Thione), Hexahydroquinoline, and Bisc	19
Synthesis, DFT and In Silico Anti-COVID Evaluation of Novel Tetrazole Analogues	19
Structural Analysis of Three Types of PAHs using Entropy Measures	19
The Harmonic and Second Zagreb Indices in Random Polyphenyl and Spiro Chains	19
Structural, Spectral, Molecular Docking, and Molecular Dynamics Simulations of Phenylthiophene-2-Carboxylate Compounds as Potential Anticancer Agents	19
Modeling the anti-Methicillin-Resistant Staphylococcus aureus (MRSA) Activity of (E)-6-chloro-N 2 -phenyl-N 4	18
One-Pot Multicomponent Synthesis of 3-Methyl-4-(Hetero)Arylmethylene Isoxazole-5(4H)-Ones Using Guanidine Hydrochloride as the Catalyst under Aqueous Conditions	17
Computation of Zagreb Polynomials and Zagreb Indices for Benzenoid Triangular & Hourglass System	17
Synthesis, Spectral Characterization, Electronic Structure and Biological Activity Screening of the Schiff Base 4-((4-Hydroxy-3-Methoxy-5-Nitrobenzylidene)Amino)-N-(Pyrimidin-2-yl)Benzene Sulfonamide	17
Synthesis of Some Novel 2-{Pyrano[2,3-c]Pyrazoles-4-Ylidene}Malononitrile Fused with Pyrazole, Pyridine, Pyrimidine, Diazepine, Chromone, Pyrano[2,3-c]Pyrazole and Pyrano[2,3-d]Py	16
The Eggshell Waste Transformed Green and Efficient Synthesis of K-Ca(OH)2 Catalyst for Room Temperature Synthesis of Chalcones	16
Experimental and Computational Evaluation of Syringic Acid – Structural, Spectroscopic, Biological Activity and Docking Simulation	16
A Novel of Azo-Thiazole Moiety Alternative for Benzidine-Based Pigments: Design, Synthesis, Characterization, Biological Evaluation, and Molecular Docking Study	16
Detailed Quantum Mechanical Studies on Three Bioactive Benzimidazole Derivatives and Their Raman Enhancement on Adsorption over Graphene Sheets	15
Detailed Electronic Structure, Physico-Chemical Properties, Excited State Properties, Virtual Bioactivity Screening and SERS Analysis of Three Guanine Based Antiviral Drugs Valacyclovir HCl Hydrate, A	15
Zagreb Connection Indices for Some Benzenoid Systems	15
Characterization and Identification of Naphthalene Degrading Bacteria Isolated from Petroleum Contaminated Sites and Their Possible Use in Bioremediation	15
Synthesis, Biological Evaluation, and Molecular Docking of New Benzimidazole-1,2,3-Triazole Hybrids as Antibacterial and Antitumor Agents	15
Synthesis of Pyrano [2,3-c] Pyrazole Derivatives Using a Novel Ionic-Liquid Based Nano-Magnetic Catalyst (Fe3O4@SiO2@(CH2)3NH@CC@Imidazole@SO	15
Facile and Efficient Synthesis of 9-Aryl-1,8-Dioxo-Octahydroxanthenes Catalyzed by Sulfacetamide	15
Synthesis, Characterization and Theoretical Investigations on the Molecular Structure, Electronic Property and anti-Trypanosomal Activity of Benzenesulphonamide-Based Carboxamide and Its Derivatives	14
S-(+) Camphorsulfonic Acid Glycine (CSAG) as Surfactant-Likes Brønsted Acidic Ionic Liquid for One-Pot Synthesis of ß-Amino Carbonyl	14
The Versatile Quinoline and Its Derivatives as anti-Cancer Agents: An Overview	14
On the Laplacians and Normalized Laplacians for Graph Transformation with Respect to the Dicyclobutadieno Derivative of [n]Phenylenes	14
M-Polynomial and Degree-Based Molecular Descriptors of Certain Classes of Benzenoid Systems	14
On Reverse Degree Based Topological Indices of Polycyclic Metal Organic Network	14
Design, Synthesis, DFT, TD-DFT/PCM Calculations, and Molecular Docking Studies on the Anti-COVID-19, and Anti-SARS Activities of Some New Bis-Thiazoles and Bis-Thiadiazole	14
Topological Properties of Polycyclic Aromatic Nanostars Dendrimers	14
Synthesis and Antimicrobial Activities of Some New Bis(Schiff Bases) and Their Triazole-Based Lariat Macrocycles	13
Topological Properties of Supramolecular Chain of Different Complexes of N-Salicylidene-L-Valine	13
Microwave-Accelerated Facile Synthesis of 1H-Pyrazolo[1,2-b]Phthalazine-5,10-Dione Derivatives Catalyzed by WEMPA	13
Triethylenetetramine-Grafted Magnetic Graphene Oxide (Fe 3 O 4 @GO-NH 2 ) as a Reusable Heterog	13
Synthesis of New Thiazole and Pyrazole Clubbed 1,2,3-Triazol Derivatives as Potential Antimycobacterial and Antibacterial Agents	13
Enrichment of Potential Halophilic Marinobacter Consortium for Mineralization of Petroleum Hydrocarbons and Also as Oil Reservoir Indicator in Red Sea, Saudi Arabia	13
Development of a Non-Targeted Method to Study Petroleum Polyaromatic Hydrocarbons in Soil by Ultrahigh Resolution Mass Spectrometry Using Multiple Ionization Methods	13
Multistep Synthesis and Photophysical Investigation of Novel Pyrazoline, a Heterocyclic D-π-a Chromophore (PTPB) as a Fluorescent Chemosensor for the Detection of Fe3+ Metal Ion	13
Three-dimensional graphene–magnetic Organometallic nanohybrid as High‐Performance Visible Light Photocatalyst for the C-C Coupling Reactions	13
Topological Study of Hydroxychloroquine Conjugated Molecular Structure Used for Novel Coronavirus (COVID-19) Treatment	13
Supramolecular β-cyclodextrin as a Biodegradable and Reusable Catalyst Promoted Environmentally Friendly Synthesis of Pyrano[2,3-d]pyrimidine ScaffoldsviaTandem Knoevenagel–Michael–Cyclo	13
Degree-Based Topological Aspects of Polyphenylene Nanostructures	13
Design and Rapid Microwave Irradiated One-Pot Synthesis of Tetrahydropyrimidine Derivatives and Their Screening In Vitro Antidiabetic Activity	13
New Methods for Synthesis of 1,2,3-Triazoles: A Review	13
2-(Alkylthio)-3-(Naphthalen-1-yl)Quinazolin-4(3H)-Ones: Ultrasonic Synthesis, DFT and Molecular Docking Aspects	13
Theoretical Investigation of 5-Fluorouracil and Tamoxifen Complex – Structural, Spectrum, DFT, ADMET and Docking Simulation	13
Steglich’s Base Catalyzed Three-Component Synthesis of Isoxazol-5-Ones	13
Synthesis, Characterization, Crystal Structure, Hirshfeld Surface, Electronic Excitation, Molecular Docking, and DFT Studies on 2-Amino Thiophene Derivative	13
Synthesis and Antibacterial Activity of New Imidazo[1,2-a]pyridines Festooned with Pyridine, Thiazole or Pyrazole Moiety	12

Current Advancement in the Oxadiazole-Based Scaffolds as Anticancer Agents	12
Investigation of Ambient Polycyclic Aromatic Hydrocarbons in a Populated Middle Eastern City	12
Antibacterial Potential of Trihydroxycyclohexa-2,4-Diene-1-Carboxylic Acid: Insight from DFT, Molecular Docking, and Molecular Dynamic Simulation	12
Vertex-Degree Based Topological Indices of Graphene	12
Carboxymethyl Cellulose (CMC) as a Recyclable Green Catalyst Promoted Eco-Friendly Protocol for the Solvent-Free Synthesis of 1H-Pyrazolo[1,2-b]Phthalazine-5,10-Dione Derivatives	12
Tetrazoloquinoline-1,2,3-Triazole Derivatives as Antimicrobial Agents: Synthesis, Biological Evaluation and Molecular Docking Study	12
Polycyclic Aromatic Hydrocarbons Formation and Mitigation in Meat and Meat Products	12
Evolutionary Relationship of Polycyclic Aromatic Hydrocarbons Degrading Bacteria with Strains Isolated from Petroleum Contaminated Soil Based on 16S rRNA Diversity	12
(E)-4-((4-Bromobenzylidene) Amino)-N-(Pyrimidin-2-yl) Benzenesulfonamide from 4-Bromobenzaldehyde and Sulfadiazine, Synthesis, Spectral (FTIR, UV–Vis), Computational (DFT, HOMO–LUMO, MEP, NBO, NPA, EL	12
The Use of Polyurethane Foam (PUF) Passive Air Samplers in Exposure Studies to PAHs in Swedish Seafarers	12
Design, Synthesis and Biological Evaluation of Novel Furan & Thiophene Containing Pyrazolyl Pyrazolines as Antimalarial Agents	11
Synthesis, Characterization and Computational Analysis of Thiophene-2,5-Diylbis((3-Mesityl-3-Methylcyclobutyl)Methanone)	11
Ambroxol: Insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study	11
M-Polynomials of Tetra-Cyano-Benzene Transition Metal Structure	11
Anticancer Activity of New Bis-(3-(Thiophen-2-yl)-1H-Pyrazol-4-yl)Chalcones: Synthesis, in-Silico, and in-Vitro Studies	11
Synthesis, Antimicrobial and Anticancer Evaluations of Novel Thiazoles Incorporated Diphenyl Sulfone Moiety	11
Mechanochemical Approach for the Selective Synthesis of 1,2-Disubstituted Benzimidazoles and Their Molecular Docking Studies	11
Bio-Fe3O4-MNPs Promoted Green Synthesis of Pyrido[2,1-a]isoquinolines and Pyrido[1,2-a]quinolines: Study of Antioxidant and Antimicrobial Activity	11
Antioxidant, Antimicrobial, DNA Cleavage, Fluorescence Properties and Synthesis of 4- (3,4,5-Trimethoxybenzyloxy) Phenoxy) Substituted Zinc Phthalocyanine	11
Topological Study of Polycyclic Graphite Carbon Nitride	11
Synthesis, Molecular Docking, and DFT Studies of Some New 2,5-Disubstituted Benzoxazoles as Potential Antimicrobial and Cytotoxic Agents	11
Review on Synthesis and Medicinal Application of Dihydropyrano[3,2-b]Pyrans and Spiro-Pyrano[3,2-b]Pyrans by Employing the Reactivity of 5-Hydroxy-2-(Hydroxymethyl)-4H-Pyran-4-One	11
Computing Topological Indices for Molecules Structure of Polyphenylene via M-Polynomials	11
Experimental Spectroscopic, Computational, Hirshfeld Surface, Molecular Docking Investigations on 1H-Indole-3-Carbaldehyde	10
Molecular Docking and 3D-QSAR Studies on a Series of Benzenesulfonamide Derivatives as a Hepatitis B Virus Capsid Assembly Inhibitor	10
A Novel Hybrid Organic-Inorganic Nanomaterial: preparation, Characterization and Application in Synthesis of Diverse Heterocycles	10
Synthesis, Spectroscopic, Crystal Structure, DFT, Hirshfeld Surface and Molecular Docking Analysis of Hexahydroquinoline Derivative (HQ)	10
Microwave Irradiated Targeted Synthesis of Pyrrolobenzodiazepine Embrace 1,2,3-Triazole by Click Chemistry Synthetic Aspect and Evaluation of Anticancer and Antimicrobial Activity	10
Theoretical Investigation of Inclusion Complexes of 3-Hydroxyflavone and Quercetin as Guests with Native and Modified β-Cyclodextrins as Hosts	10
Modeling of Anthranilhydrazide (HL1) Salicylhydrazone and Its Copper Complexes Cu(I) and Cu(II) as a Potential Antimicrobial and Antituberculosis Therapeutic Candidate	10
In Silico Investigation of Electronic Structure, Binding Patterns and Molecular Docking of Nevirapine: An anti-HIV Type-1 Drug	10
Co and Zn Metal Phthalocyanines with Bulky Substituents: Anticancer, Antibacterial Activities and Their Inhibitory Effects on Some Metabolic Enzymes with Molecular Docking Studies	10
Quantum Mechanical Study, Spectroscopic (FT-IR, FT-Raman and UV-Vis) Study, NBO, NLO Analysis and Molecular Docking Studies of 2-Ethoxy-4-(Pyridine-2yliminomethyl)-Phenol	10
Design, Spectroscopic Studies, DFT Calculations and Evaluation of Biological Activity of Novel 1,3-Benzoxazines Encompassing Isoniazid	10
Variations of Polycyclic Aromatic Hydrocarbons in Vegetable Oils During Seed Roasting Pre-Treatment	10
Synthesis, DFT and Antitumor Activity Screening of Some New Heterocycles Derived from 2,2'-(2-(1,3-Diphenyl-1H-Pyrazol-4-yl)Ethene-1,1-Diyl)Bis(4H-Benzo[d][1,3]Oxazin-4-One)	10
Synthesis of 4,4'-(Aryl Methylene)Bis(3-Methyl-1H-Pyrazol-5-ol) Derivatives and Pyrano[2, 3-c] Pyrazole Derivatives Using an Engineered Copper-Based Nano-Magnetic Catalyst (Fe3	9
ZnFe2O4 Nano-Catalyzed One-Pot Multi-Component Synthesis of Substituted Tetrahydropyranoquinoline under Neat Ultrasonic Irradiation	9
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	9
Modeling the Conformational Preference, Spectral Analysis and Other Quantum Mechanical Studies on Three Bioactive Aminobenzoate Derivatives and Their SERS Active Graphene Complexes	9
Degree Based Weighted Entropy Indices of Hyaluronic Acid-Curcumin Conjugates: an Anti-Tumor Drug	9
Synthesis and Activity Evaluation of Some Pyrazole–Pyrazoline Derivatives as Dual Anti-Inflammatory and Antimicrobial Agents	9
Rapid One-Pot Multicomponent Dioxane-HCl Complex Catalyzed Solvent-Free Synthesis of 3,4-Dihydropyrimidine-2-One Derivatives	9
Comparative Study of ve-Degree and ev-Degree Topological Descriptors for Benzene Ring Embedded in P-Type-Surface in 2D Network	9
Synthesis and Anticancer Activity of Some Fused Heterocyclic Compounds Containing Pyrazole Ring	9
Topological Indices and QSPR Modeling of New Antiviral Drugs for Cancer Treatment	9
Synthesis of Quinolines, Quinazolines and Spiro-Quinazolines Using Nanoporous TiO2 Containing an Ionic Liquid Bridge as an Efficient and Reusable Catalyst	9
Synthesis, α-Glucosidase Inhibition, Anticancer, DFT and Molecular Docking Investigations of Pyrazole Hydrazone Derivatives	9
Ultrasound Assisted and Aluminized Polyborate Prompted Green and Efficient One Pot Protocol for the Synthesis of Hexahydroquinolines	9
Molecular Structure, Experimental and Theoretical Vibrational Spectroscopy, (HOMO-LUMO, NBO) Investigation, (RDG, AIM) Analysis, (MEP, NLO) Study and Molecular Docking of Ethyl-2-{[4-Ethyl-5-(Quinolin	9
Benzimidazole-Quinoline Hybrid Scaffold as Promising Pharmacological Agents: A Review	9
Mortar–Pestle Grinding Technique as an Efficient and Green Method Accelerates the Tandem Knoevenagel–Michael Cyclocondensation Reaction in the Presence of Ethylenediamine Immobilized on the Magnetite	9
Design, Synthesis, and Molecular Docking of Novel Hybrids of Coumarin-Dithiocarbamate Alpha-Glucosidase Inhibitors Targeting Type 2 Diabetes Mellitus	9
Mono-Ammonium Phosphate Fertilizer Modified by Cadmium: An Efficient and Recyclable Catalyst for 2,3-Dihydroquinazolin-4(1H)-One Derivatives Synthesis	9
Biosynthesized CuO as a Green and Efficient Nanophotocatalyst in the Solvent-Free Synthesis of Some Chromeno[4, 3-b]Chromenes. Studying anti- Gastric Cancer Activity	9
Spectroscopic, Solvation Effects and MD Simulation of an Adamantane-Carbohydrazide Derivative, a Potential Antiviral Agent	8
Ionic Liquid-Coated Nanoparticles (CaO@SiO2@BAIL): A Bi-Functional and Environmentally Benign Catalyst for Green Synthesis of Pyridine, Pyrimidine, and Pyrazoline Derivatives	8
Assessment of Sewage Molecular Markers in Port Dickson Coast and Kim Kim River with Sediment Linear Alkylbenzenes	8
On Rational Curve Fitting between Topological Indices and Entropy Measures for Graphite Carbon Nitride	8
Zn2SnO4-SnO2 Nano-Composite Promoted Ultrasonic-Assisted Synthesis of Pyran Derivatives	8
Experimental and Quantum Chemical Computational Analysis of Novel N4,N4′-Dimethyl-[1,1′-Biphenyl]-3,3′,4,4′-Tetraamine	8
On Topological Co-Indices of Polycyclic Tetrathiafulvalene and Polycyclic Oragano Silicon Dendrimers	8
DFT, Molecular Docking and ADME Studies of Thiazolidinones as Tyrosinase Inhibitors	8
On Ve-Degree and Ev-Degree Based Topological Properties of H-Naphtalenic Nanotube	8
A Green Route for the Synthesis of 2-Amino-5,10-dioxo-4-aryl-5,10-dihydro-4H-benzo[g]chromene-3-carbonitriles Using L-Proline as a Basic Organocatalyst	8
Synthesis, Characterization, and Antimicrobial Activity of New Thienopyrimidine Derivatives	8
Computation of the Forgotten Topological Index and Co-Index for Carbon Base Nanomaterial	8
Design, Synthesis, Anticancer Evaluation, and Molecular Docking Studies of Thiazole–Pyrimidine Linked Amide Derivatives	8
Ultrasound-Promoted Pyruvic Acid Catalyzed Green Synthesis of Biologically Relevant Bis(Indolyl)Methanes Scaffold under Aqueous Condition	8
On Degree Based Topological Aspects of Some Dendrimers	8
Effect of n-Butanol Addition to Diesel Fuel on Reduction of PAH Formation and Regulated Pollutants	8
QSPR Modeling with Curvilinear Regression on the Reverse Entropy Indices for the Prediction of Physicochemical Properties of Benzene Derivatives	8
Azole-Based Antibacterial Agents: A Review on Multistep Synthesis Strategies and Biology	8
Synthesis, Characterization, Molecular Docking and Antimicrobial Activity of Novel Spiropyrrolidine Derivatives	8
Non-Covalent Bonding Interaction between Primaquine as Guest and 2-(Hydroxypropyl)-β-Cyclodextrin as Host	8
Temporal Variations and Source Identification of Polycyclic Aromatic Hydrocarbons (PAHs) in Rainwater Collected in a Semi-Urban Area within an Industrial Area in Turkey	8
Resveratrol and Its Natural Analogues Inhibit RNA Dependant RNA Polymerase (RdRp) of Rhizopus oryzae in Mucormycosis through Computational Investigations	8
The Expected Values of the First Zagreb and Randić Indices in Random Polyphenyl Chains	8
Molecular Dynamics Simulation, QSAR, DFT, Molecular Docking, ADMET, and Synthesis of Ethyl 3-((5-Bromopyridin-2-yl)Imino)Butanoate Analogues as Potential Inhibitors of SARS-CoV-2	8
Recent Progress on Fused Thiadiazines: A Literature Review	8

Design, Synthesis, and Biological Evaluation of Newer Arylidene Incorporated 4-Thiazolidinones Derivatives as Potential Antimicrobial Agents	8
A New Approach for the Synthesis of Bis(3-Indolyl)Pyridines via a Cooperative Vinylogous Anomeric Based Oxidation Using Ammonium Acetate as a Dual Reagent-Catalyst Role under Mild and Green Condition	8
Biscoumarin Derivatives as Potent anti-Microbials: Graphene Oxide Catalyzed Eco-Benign Synthesis, Biological Evaluation and Docking Studies	8
Systematic In Silico Studies of Corticosteroids and Its Binding Affinities with Glucocorticoid Receptor for Covid-19 Treatment: Ab-Initio, Molecular Docking and MD Simulation Studies	8
Borax: An Environmentally Clean Catalyst for the Synthesize of Pyrano[2,3-c]Pyrazoles and Xanthene-1,8-Diones in H2O	8
1,4 Butanesultone Functionalized Graphitic Carbon Nitride: Efficient Catalysts for the One-Pot Synthesis of 1,4-Dihydropyridine and Polyhydroquinoline Derivative through Hantzsch Reaction	8
β‐Cyclodextrin: An Efficient Supramolecular Catalyst for the Synthesis of Pyranoquinolines Derivatives under Ultrasonic Irradiation in Water	8
Synthesis and Application of Novel Magnetic Glycoluril Tetrakis(Methylene Phosphorous Acid) as a Nano Biological Catalyst for the Preparation of Nicotinonitriles via a Cooperative Vinylogous An	8
Molecular Structure, Spectroscopic Elucidation (FT-IR, FT-Raman, UV-Visible and NMR) with NBO, ELF, LOL, RDG, Fukui, Drug Likeness and Molecular Docking Analysis on Dimethomorph	8
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	8
Topological Study of Carbon Nanotube and Polycyclic Aromatic Nanostar Molecular Structures	8
X-Ray Crystallography, Spectral Analysis, DFT Studies, and Molecular Docking of (C 9 H 15 N 3 )	8
Topological Properties of Concealed Non-Kekulean Benzenoid Hydrocarbon	8
Effects of Honey-Spices Marination on Polycyclic Aromatic Hydrocarbons and Heterocyclic Amines Formation in Gas-Grilled Beef Satay	8
Exploring the Interaction between Microplastics, Polycyclic Aromatic Hydrocarbons and Biofilms in Freshwater	8
Topological Study of Line Graph of Remdesivir Compound Used in the Treatment of Corona Virus	8
Efficient One-Pot Synthesis of 1,4-Dihydropyridine and Polyhydroquinoline Derivatives Using Sulfanilic Acid-Functionalized Boehmite Nano-Particles as an Organic-Inorganic Hybrid Catalyst	8
Gallium Oxide (Ga2O3): An Efficient Heterogeneous Nanocatalyst for One Pot, Multi-Component Synthesis of Polyhydroquinolines	7
Exploration of Antioxidant, Anti-inflammatory and Anticancer Potential of Substituted 4-Thiazolidinone Derivatives: Synthesis, Biological Evaluation and Docking Studies	7
2-Aminoisoindoline-1,3-Dione-Functionalized Fe3O4/Chloro-Silane Core-Shell Nanoparticles as Reusable Catalyst: An Efficient Heterogeneous Magnetic Nanoparticles for Synthesis of	7
Synthesis, Characterization and First Application of Graphene Oxide Functionalized Cu(II) Complex for the Synthesis of 1,2,3-Triazole Derivatives	7
Preparation and Characterization of Nano-coc-OSO3H as a Novel Nanocatalyst for the One-Pot Synthesis of Spirooxindoles	7
Development of 1,3,4-Thiadiazole and Piperazine Fused Hybrid Quinazoline Derivatives as Dynamic Antimycobacterial Agents	7
Synthesis, Anticancer Activity and Molecular Docking Studies of Hybrid Benzimidazole-1,3,4-Oxadiazol-2-N-Alkyl/Aryl Amines	7
Bisbenzoxazole Derivatives: Design, Synthesis,in VitroAntimicrobial, Antiproliferative Activity, and Molecular Docking Studies	7
Molecular Structural Descriptors of Donut Benzenoid Systems	7
Uric Acid as a Naturally Biodegradable and Reusable Catalyst for the Convenient and Eco-Safe Synthesis of Biologically Active Pyran Annulated Heterocyclic Systems	7
Gas Chromatography–Mass Spectrometric (GC-MS) Determination of Polycyclic Aromatic Hydrocarbons in Smoked Meat and Fish Ingested by Bangladeshi People and Human Health Risk Assessment	7
Biological Activity and Molecular Docking Study of Some Bicyclic Structures: Antidiabetic and Anticholinergic Potentials	7
Fe3O4@nSiO2@mSiO2/DBU: A Novel and Effective Basic Magnetic Nanocatalyst in the Multicomponent One Pot Synthesis of Polyhydroacridines and Polyhydroquinolin	7
Heterogeneously Catalyzed Pechmann Condensation Employing the HFe(SO4)2.4H2O-Chitosan Nano-Composite: Ultrasound-Accelerated Green Synthesis of Coumarins	7
Ultrasonic Promoted Regioselective Reactions of the Novel Spiro 3,1-Benzoxazon-Isobenzofuranone Dye Toward Some Organic Base Reagents	7
Mycotoxins: Food Safety, Consumer Health and Africa’s Food Security	7
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	7
Synthesis and Biological Evaluation of Novel Phenothiazine Derivatives as Potential Antitumor Agents	7
Polypyridyl Coordinated Re(I) complexes for human tenascin-C (TNC) as an Antibreast Cancer Agent: An Intuition from Molecular Modeling and Simulations	7
Multiset and Mixed Metric Dimension for Starphene and Zigzag-Edge Coronoid	7
New Fluorescent Heterocyclic Compounds Derived From 3-Cyanobenzanthrone	7
Topological Peripheral Shapes and Distance-Based Characterization of Fullerenes C20-C720: Existence of Isoperipheral Fullerenes	7
Topological Indices and QSPR Analysis of NSAID Drugs	7
In Vitro and In Silico Studies of Quinoline-2-Carbaldehyde Hydrazone Derivatives as Potent Antimicrobial Agents	7
On Metric Dimension and Fault Tolerant Metric Dimension of Some Chemical Structures	7
Synthesis, Biological Evaluation and Docking Studies of Some New Indolyl-Pyridine Containing Thiazolidinone and Azetidinone Analogs	7
Synthesis of Benzodiazepines Promoted by CeO2/CuO@Nitrogen Graphene Quantum Dots@NH2 Nanocomposite	7
Potash Alum as a Sustainable Heterogeneous Catalyst: A One-Pot Efficient Synthesis of Highly Functionalized Pyrrol-2-ones and Furan-2-ones	7
Synthesis, Characterization, and Antimicrobial Evaluation of Some New 1,4-Dihydropyridine Hybrid with 1,3,4-Thiadiazole	7
Discovery of Rhodanine and Thiazolidinediones as Novel Scaffolds for EGFR Inhibition: Design, Synthesis, Analysis and CoMSIA Studies	7
Magnetic Nanoparticles Supported Copper Nanocomposite: A Highly Active Nanocatalyst for Synthesis of Benzothiazoles and Polyhydroquinolines	7
First-Principle Studies of Istradefylline with Emphasis on the Stability, Reactivity, Interactions and Wavefunction-Dependent Properties	7
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)	7
Synthesis, Antimicrobial Capability and Molecular Docking of Heterocyclic Scaffolds Clubbed by 2-Azetidinone, Thiazole and Quinoline Derivatives	7
Irregularity Indices for Certain Anti-Tumor and Anti-Covid Drugs	6
Estimation of Binding Sites of Efavirenz with 3EO9 Receptor: In Silico Molecular Docking and Molecular Dynamics Studies	6
Design, Green Synthesis, and Biological Evaluation of New Substituted Tetrahydropyrimidine Derivatives as Acetylcholinesterase Inhibitors	6
Salen: Insight into the Crystal Structure, Hirshfeld Surface Analysis, Optical Properties, DFT, and Molecular Docking Studies	6
Efficient Green Chemistry Approach for the Synthesis of 1,2,3-Triazoles Using Click Chemistry through Cycloaddition Reaction: Synthesis and Cytotoxic Study	6
Bounds of Some Degree Based Indices of Lexicographic Product of Some Connected Graphs	6
Topological Co-indices of Hydroxyethyl Starch Conjugated with Hydroxychloroquine Used for COVID-19 Treatment	6
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	6
Synthesis, Computational, Antibacterial and Antifungal Investigation of Two Tri-Fluorinated Chalcones of 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-one	6
Investigation of Barrier Potential, Structure (Monomer & Dimer), Chemical Reactivity, NLO, MEP, and NPA Analysis of Pyrrole-2- Carboxaldehyde Using Quantum Chemical Calculations	6
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	6
Computational Investigation for the Removal of Hydrocarbon Sulfur Compounds by Zinc Oxide Nano-Cage (Zn12O12-NC)	6
Catalyst-Free and Solvent-Free Visible Light Assisted Synthesis of Tetrahydrobenzo[b]Pyran Scaffolds at Room Temperature	6
On Analysis of Temperature Based Topological Indices of Some Covid-19 Drugs	6
Schiff Base Metal Complexes as Antimicrobial and Anticancer Agents	6
Design, Synthesis, Spectroscopic Studies, DFT, TD-DFT/PCM Calculations, and Molecular Docking Studies on the anti-SARS and anti-COVID-19 Activities of Novel Benzidine Bis Azo 1-(2-Hydroxy-3-Naphthoic	6
Adsorption of Phenothiazine Derivatives on Graphene – DFT, Docking and MD Simulation	6
Synthesis and Antitumor Activity Evaluation of Novel Pyrimidoquinoline Derivatives	6
A Competent, Atom-Efficient and Sustainable Synthesis of Bis-Coumarin Derivatives Catalyzed over Strontium-Doped Asparagine Modified Graphene Oxide Nanocomposite	6
An Efficient Synthesis of Phthalimides and Their Biological Activities	6
Synthesis and Antitumor Activity of Novel Hybrids of Pyrimidine/Benzimidazole Scaffolds	6
Synthesis, Antibacterial Activity and Molecular Docking Study of a Series of 1,3-Oxazole-Quinoxaline Amine Hybrids	6
Preparation and Application of Highly Efficient and Reusable Nanomagnetic Catalyst Supported with Sulfonated-Hexamethylenetetramine for Synthesis of 2,3-Dihydroquinazolin-4(1H)-Ones	6
Antitubercular, Antimalarial Activity and Molecular Docking Study of New Synthesized 7-Chloroquinoline Derivatives	6
Crystal Growth, Structural, Vibrational, Effects of Hydrogen Bonding(C-H…O and C-H…N), Chemical Reactivity, Antimicrobial Activity, Inhibitory Effects and Molecular Dynamic Simulation of 4-Methoxy-N-(	6
Multicomponent Synthesis of Tetrahydrobenzo[ b ]Pyrans, Pyrano[2,3- d ]Pyrimidines, and Dihydropyrano[3,2- c	6
Barrier Potential, Structure (Monomer and Dimer), Inter- and Intra-Molecular Interactions, Vibrational Analysis, Fukui Functions, MESP, NBO, UV and NMR Analysis of Pyridine-3-Carboxylic Acid Using Spe	6
A New Basic Ionic Liquid Supported on Magnetite Nanoparticles: An Efficient Phase-Transfer Catalyst for the Green Synthesis of 2-Amino-3-Cyano-4H-Pyrans	6
Comprehensive Kinetics and a Mechanistic Investigation on the Biological Active Pyrano[2,3-C]Pyrazole Core in the Presence of Both Eco-Friendly Catalyst and Solvent: Experimental Green Protocol	6
6-Amino-2-(4-fluorophenyl)-4-(trifluoromethyl)quinoline: Insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study	6
Investigation of the Anti-Plasmodial Properties of N-2-Oxo Pyrrolidine Pentanamide-Based Sulfonamides: Experimental and Theoretical Approach	6
Recent Update on the Pharmacological Significance of Isatis tinctoria L. (Brassicaceae) Extracts	6
Microwave-Assisted One-Pot Three Component Synthesis of Some Thiazolyl(Hydrazonoethyl)Thiazoles as Potential Anti-Breast Cancer Agents	6
Different Versions of Atom-Bond Connectivity Indices of Some Molecular Structures: Applied for the Treatment and Prevention of COVID-19	6
Introduction of Agar-Entrapping as a Novel Strategy to Improve the Catalytic Activity of Moisture-Absorbing Acidic Ionic Liquids: A Case Study in the Synthesis of 5-Arylidene Barbituric Acids and Pyra	6
One-Pot Three-Component Synthesis of 1-(α-Aminoalkyl)-2-Naphthols Using Nano-[Ni-4MSP](NO3)2 as a New Catalyst	6
The Atom-Bond Connectivity and Geometric-Arithmetic Indices in Random Polyphenyl Chains	6
Molecular Structural Characterization of Cycloparaphenylene and its Variants	6
Novel Urea-Functionalized Magnetic Nanoparticles as a Heterogeneous Hydrogen Bonding Catalyst for the Synthesis of New 2-Hydroxy Pyridines	6
Synthesis of 1,3,4-Thiadiazole Derivatives Using Hydrazonoyl Bromide: Molecular Docking and Computational Studies	6
An Efficient and Sustainable Protocol for the Synthesis of Poly-Functionalized-Pyran Derivatives under Ultrasound Irradiation	6
Effect of Apple Polyphenol and Three Antioxidants on the Formation of Polycyclic Aromatic Hydrocarbon in Barbecued Pork	6
On Ve-Degree and Ev-Degree Based Topological Indices for the Series of Benzenoid Graphs	6
Mesoporous SBA-15@Tromethamine-Pr: Synthesis, Characterization and Its Catalytic Application in the Synthesis of Bis(Pyrazolyl)Methanes	5