OOIR: Observatory of International Research

Papers

(The median citation count of Polycyclic Aromatic Compounds is 2. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-05-01 to 2025-05-01.)

Article	Citations
Steglich’s Base Catalyzed Three-Component Synthesis of Isoxazol-5-Ones	66
Molecular Engineering of Indacenodifuran-Based Non-Fullerene Acceptors for Efficient Organic Solar Cells	59
Polycyclic Aromatic Bioactive Compounds from Eclipta Alba and Its Anticancer Potential against Breast Cancer Target Proteins: An Antibreast Cancer Intervention through	44
Fabrication of Copper(II)-coated Magnetic Core-shell Nanoparticles an Engineered Nano-magnetic Catalyst for the Synthesis of Pyrano Pyrazole and Pyrazole Derivatives	40
Ultrasonic-Assisted Synthesis and Quantum Chemical Analysis of Spiro[Indoline-3,3′-Pyrazol]-2-One Derivatives as Effective Bactericidal and Viricidal Agents	40
The Synthesis of Polysubstituted Amino Pyrazoles Using Nano-[Zn-4NSP]Cl₂ as a New Schiff Base Complex and Catalyst	37
Biodegradation of Phenanthrene Polluted Soil through Native Strains in the Darkhouvin Oil Field	36
Solubility and Antioxidant Activity of 1,2-Dihydro-2-Methyl-2-Phenyl-3H-Indole-3-One-1-Oxyl Hosted at Randomly Methylated-Βétacyclodextrin: A Computational Investigation	36
Dioxovanadium(V) Complex Incorporating Tridentate ONO Donor Aminobenzohydrazone Ligand: Synthesis, Spectral Characterization and Application as a Homogeneous Lewis Acid Catalyst in the Friedländer Syn	36
Baker’s Yeast Promoted Facile Synthesis of Spirooxadiazepines Using Multicomponent Reactions of Ninhydrin: Investigation of Biological Activity	35
Structural, Spectroscopic, Cytotoxicity and Molecular Docking Studies of Charge Transfer Salt: 4-Aminiumantipyrine Salicylate	33
Solvent-Free Green Synthesis of New Isoquinazoline Derivatives Using Three Component Reactions of Isothiocyanates	31
Synthesis and Insecticidal Activity of Novel Trifluoromethylbenzimidazole Linked N -Phenylamide Compounds	30
Ultrasonic Assisted Preparation of Pyrano[2,3-c]Pyrazole Derivatives Using ZnO-NiO-Fe₃O₄ Nano-Composite System	29
Catalyst-Free Synthesis of p -Tolylimino-2 H -Chromen-2-One Derivatives at Room Temperature	28
Ultrasonic-Mediated Green Synthesis of Novel S-Arylated-Pyridopyrimidines and Antimicrobial Evaluation against Escherichia coli and Staphylococcus aureus	27
Design, Synthesis, Biological Evaluation of New Porphyrin and Metalloporphyrin Derivatives	27
Synthesis and Characterization of a Novel and Reusable Adenine Based Acidic Nanomagnetic Catalyst and Its Application in the Preparation of 2-Substituted-2,3-dihydro -1H-perimidines under Ultra	27
Metals Removal from Contaminated Aqueous Medium by Using Modified Cellulose-N(4)-Antipyrinyl Thiosemicarbazide	26
Spectroscopic Characterization, Quantum Chemical and Molecular Docking Studies on 1-Chloroanthraquinone: A Novel Oral Squamous Cell Carcinoma Drug	26
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	26
Synthesis, Characterization and Study of E/Z Isomerization in 3-(2-(2,4-Dimethylphenyl) Hydrazono)-6-Fluoroquinolin-(1 H , 3 H )-2, 4-Dion	26
Computational Quantum Chemical Study, Insilco ADMET, and Molecular Docking Study of 2-Mercapto Benzimidazole	25
Design, Synthesis of Some Innovative Indolo[3,2- c ]Isoquinoline-5-One Analogs and Associated Bioactivities, Pharmacophore, Molecular Docking, MEP, and Conceptual DFT St	25
Synthesis of 1,2,4-Triazole Derivatives via 1,3-Benzothiazole-2,5-Diamine Supported on Nanocellulose as Novel Recyclable Nano Catalyst	25

Syntheses and Molecular Docking Analysis of Some New Thiazole and Thiazine Derivatives as Three Armed Molecules with a Triazine Ring as a Core Component: A Search for anti-Obesity Agents	24
An Efficient Synthesis of 1, 3-Oxazine Derivatives Catalyzed under Ceric Ammonium Nitrate in an Aqueous Medium at Ambient Temperature	24
Multiset and Mixed Metric Dimension for Starphene and Zigzag-Edge Coronoid	24
Synthesis, Biological Evaluation, and Molecular Docking Investigation of New Series of Azoimino-Sulfathiazole (AIST) Derivatives	24
FeCl ₃ -Catalyzed Synthesis of Symmetrical Pyridines from Ketoxime Acetates Using DMFDMA as an Effective C1 Synthon	24
Synthesis, α-Glucosidase Inhibition, Anticancer, DFT and Molecular Docking Investigations of Pyrazole Hydrazone Derivatives	24
Synthesis of New 2-(4-(1,4-Dihydropyridin-4-yl)Phenoxy)-N-Arylacetamides and Their Heterocyclic-Fused Derivatives via Hantzsch-Like Reaction	24
Synthesis and Application of Novel Magnetic Glycoluril Tetrakis(Methylene Phosphorous Acid) as a Nano Biological Catalyst for the Preparation of Nicotinonitriles via a C	24
Recent Advancements in Microwave Assisted Synthesis of Pyrazole Analogues: An Ecological Synthetic Approach	23
Experimental Spectroscopic, Structural (Monomer and Dimer), Molecular Docking, Molecular Dynamics Simulation and Hirshfeld Surface Analysis of 2-Amino-6-Methylpyridine	23
Triethylammonium Hydrogen Sulfate Ionic Liquid-Assisted Highly Efficient Synthesis of Bis(indoyl)methanes	23
Use of a New Natural Deep Eutectic Mixture for the Acceleration of Some of the Important Multi-Component Reactions	23
Multicomponent Synthesis of Pyrano (3, 2-c) Quinolone Fused Spirochromenes	23
Computing Degree-Based Topological Descriptors of Certain Tessellations of Kekulenes Using M-Polynomial and Neighborhood M-Polynomial	23
Degree Based Weighted Entropy Indices of Hyaluronic Acid-Curcumin Conjugates: an Anti-Tumor Drug	23
Finding the Best Proposed Mechanism for Ugi Multi-Component Reaction by DFT Study	23
Imidazo[4′,5′:3,4]Benzo[1,2- e ][1,4]Diazepins as New Heterocyclic Systems: Synthesis, Characterization and Their in Vitro Interactions with Benzodiazepine Receptors	22
Introduction of an Efficient Protocol for the Synthesis of Some of the Pyrimidine Derivatives under Solvent-Free Conditions	22
Novel Small Molecule Derived from Hydroxy Naphthaldhyde as Potential Anti-Leukemia Agents: Spectroscopic, DFT, Docking Molecular and ADME/T Investigations	22
Effect of Amino, Chloro, and Methyl Functional Groups on 4-(4-Hydroxyphenyl) Piperazine by Density Functional Theory and Molecular Docking Studies	22
The Computational Study, 3D-QSAR, and Molecular Docking Study of 2-Amino 5-Methyl Pyridine	21
DTP/SiO₂ Assisted Synthesis of New Benzimidazole-Thiazole Conjugates Targeting Antitubercular and Antioxidant Activities	21
Concentrations and Risk of Polycyclic Aromatic Hydrocarbons (PAHs) in Oil and Tomato-Based Sauces from Selected Brands of Canned Fish Consumed in Nigeria	21
2-Aryl Benzimidazole Derivatives Act as Potent Urease Inhibitors; Synthesis, Bioactivity and Molecular Docking Study	21
Comparative Green and Conventional Synthesis of 2-Hydroxy-1-Naphthaldehyde Based Barbiturates and Their DFT Study	21
One Pot Synthesis of Thiopyrimidine Derivatives from Lignin Reproductions by Microwave-Assisted Ultrasonic Microscopy with DFT Description for Clarifying the Mass Spectrum	21
Polycyclic Aromatic Hydrocarbons in Surface Waters from India: Possible Sources and Risk Assessment	20
Characterization of Structure-Property Relations and Second Harmonic Generation of 6-Methoxy-2-Naphthaldehyde	20
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	20
Adsorption of Phenothiazine Derivatives on Graphene – DFT, Docking and MD Simulation	20
Novel Dinitrophenylhydrazones Containing 1,2,3-Triazole Nucleus as Disperse Dyes for Polyester Fabric Dyeing and Functional Finishing and Antibacterial Activities	20
Theoretical Analysis of the Properties of Monocarbonyl Curcumin Analogs	19
Magnetic MCR-Functionalized Graphene Oxide Complexed with Copper Nano-Particles: An Efficient and Recyclable Nanocatalyst for Ullmann C–N Coupling Reaction	19
Design, Synthesis, Drug-Likeness, anti-Inflammatory, Antimicrobial Activity, and Molecular Docking Studies of Pyrimidine Analogs	18
Health Risk Assessment of Polycyclic Aromatic Hydrocarbons from Cooking Fuels burning in Nigeria	18
Metal Organic Framework Cu-BDC as an Efficient and Reusable Catalyst for One-Pot Synthesis of Benzophenazine Derivatives	18
On the Number of Matchings of Two Classes of Silicate Molecular Graphs	18
In Vitro and in Silico Evaluation of Some New 1H-Benzimidazoles Bearing Thiosemicarbazide and Triazole as Epidermal Growth Factor Receptor Tyrosine Kinase Inhibitor	17
A Comparative Study: Domination Parameters and Physico-Chemical Properties of Benzenoid Hydrocarbons	17
Facile Synthesis and Antioxidant Activity Screening of Some Novel 3-Substituted Indole Derivatives	17
Ultrasound Assisted One-Pot Three-Component Reaction for Synthesis of Novel Functionalized 4-Thioxo-Pyrano[2,3-c]Pyrazoles, 5-Thioxo-Pyrano[2,3-d]Pyrimidines and 5-Thioxo-Pyrido[2,3-d]Pyrimidines Cata	17
Crystal Growth, Structural Elucidation, Chemical Reactivity, Topology Exploration (ELF, LOL, AIM, RDG) and NLO Activity of 4-Cumyl Phenol Crystal Using Quantum Chemical Calculation	17
Synthesis, Antioxidant and Antimicrobial Activity of Calix[4]Arene Acetanilide Derivative	17
Topological Co-Indices of Molecular Structure of Porphyrazine Network	17
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	16
Isolation of Secondary Metabolites from Pulicaria gnaphalodes (Vent.) Boiss. and Evaluation of Their anti-Proliferative Activity	16
Low Molecular Weight Non-Peptidyl Antimalarial Leads: Lichen Metabolite, Usnic Acid and Its Analogues	16
Structural, Quantum Chemical, Spectroscopic (UV, FT-IR, FT-Raman and NMR) and Molecular Docking Studies of Diphenylpyraline Hydrochloride as Antihistaminic Drug	16
A Sonochemical Access to 5-Aryl Substituted Pyrazolo[1,5-a]Pyrimidines as Potential Inhibitors of TNF-α	15
Synthesis of Novel Benzoxazole Derivatives: Exploration of Their Possible Pharmacological Profiles with Computational Studies	15

Synthesis, Antimicrobial Evaluation, and Docking Studies of Substituted New Chromone Linked 1,2,3-Triazoles	15
Synthesis, Characterization, DFT Analysis, Biological Evaluation, and Molecular Docking of Schiff Base Derived from Isatin–Isoniazid and Its Metal (II) Complexes	15
Construction and Characterization of Fe ₃ O ₄ -Bis[Imine-Pyridine]-Cu(OAc) ₂ Nanocomposite: A N	15
Tri-vanadium Substituted Dawson-type Heteropolytungstate Nanocomposite (g-C ₃ N ₄ /Fe ₃ O	15
Computing Some Eccentricity-Based Topological Indices of Para-Line Graphs of Hexagonal Cactus Chains	15
Synthesis and Biological Activity Investigation of New Oxazolopyrimidoazepine Derivatives: Application of Ag/Fe₃O₄/TiO₂/CuO@MWCNTs MNCs in the Reduction of Organic Pol	14
Development of a New Manufacturing Route for Benzoylphenylureas and Their Key Intermediates	14
A Novel of Azo-Thiazole Moiety Alternative for Benzidine-Based Pigments: Design, Synthesis, Characterization, Biological Evaluation, and Molecular Docking Study	14
Wittig Synthesis, Optical Properties and Electrochemical Behaviors of Some Conjugated Derivatives of 4-Pyrones	14
Synthesis, Antibacterial, Anti-Biofilm Properties, and Docking Study of Indeno[1,2-b]Pyridin-5-One Derivatives	14
One-Pot Three Component Synthesis of Quinazolin-4(3 H )-One Derivatives: Investigation of Photophysical Properties and FRET Application toward Protein Lysozyme	14
New Benzochromeno[2,3-d]Pyrimidines and Benzochromenotriazolo[1,5-c]Pyrimidines as Potential Inhibitors of Topoisomerase II	13
Halloysite Nanotube Modified (CuO@HNTs-SO ₃ H) Novel Heterogeneous Catalyst for One-Pot Synthesis of Tetrahydrobenzo[ ɑ ]Xanthen-11-On	13
Synthesis of 4 H -3,1-Benzothiazin-4-Ones via C-N/C-S Bond Forming Reactions	13
Impact of π-Linkers Modifications on Tuning Nonlinear Optical Amplitudes of Pyridoquinazolinone-Based Aromatic Dyes: A Rational Entry to Novel D-π-A NLO Materials	13
An Agro-Waste Catalyzed Facile Synthesis of 1 H- Pyrazolo[1,2-b]Phthalazine-5,10-Dione Derivatives: Evaluation of Antioxidant and Electrochemical Studies	13
Biological Activity and Molecular Docking Study of Some Bicyclic Structures: Antidiabetic and Anticholinergic Potentials	13
Synthesis, Spectroscopic Characterization, DFT, and Molecular Docking Analysis of Some Salicylideneaniline Schiff Base Derivatives as Potential Antioxidant Compounds	13
Fe₃O₄@SP@Chitosan@Fe₃O₄ Nanocomposite: A Catalyst with Double Magnetite Parts for Sustainable Synthesis of Novel Azo-Linked 4-Benzylidene-2-Phenyloxazol-5-O	12
Synthesis, Structural Elucidation and Anti-Bacterial Evaluation of Fluorinated and Non-Fluorinated Schiff Bases of Quinazoline-4(3H)-One	12
Spectral Characteristics, DFT Exploration, Electronic Properties, Molecular Docking and Biological Activity of 2E-1-(3-Bromothiophene-2-yl)-3-(1, 3-Benzodioxol-5-yl)Prop-2-en-1-One Molecule	12
The Effects of Conjugated Fused Ring System: An Investigation of Electronic, Nonlinear Optical, X-Ray Structural Properties and Computational Studies on Chalcone Derivatives	12
Study of Thermodynamic and Dielectric Parameters of Xylene and Its Isomers Using Time Domain Dielectric Spectroscopy	12
KF/Clinoptilolite@MWCNTs Nanocomposites Promoted a Novel Four-Component Reaction of Isocyanides for the Green Synthesis of Pyrimidoisoquinolines in Water	12
Synthesis, Spectroscopic (FTIR, FT-Raman and UV-Vis), Structural Investigation, Hirshfeld, AIM, NBO, Chemical Reactivity, In-Vitro and In-Silico Analysis of N-(2-Hydroxyphenyl)-4-Toluenesulfonamide	12
Design and Synthesis of Some New N-(Thiazol-2-yl) Benzamides of Quinoxaline as DNA Topoisomerase II Targeting Anticancer Agents and ADMET	12
Measuring Irregularities in the Chemical Compound: Porous Graphene	12
Molecular Modelling of Aromatic Interactions between Pyrene Derivatives and Carbon Nanotubes: Materials for Biomedical Applications	12
Tetrabutylammonium-salt, a novel ionic medium for the synthesis of quinoline–hybrid chalcones, and its biological evaluation	11
Synthesis and Biological Evaluations of N-(4-Substituted Phenyl)-7-Hydroxy-4-Methyl-2-Oxoquinoline-1(2H)-Carbothioamides	11
Introduction of a New Nano Sized Ni-Based Salt for the Acceleration of the Synthesis of Pyrano[2,3-d]pyrimidinone and 1,4-Dihydropyridine Derivatives	11
COMMENTS ON “S-(+) Camphorsulfonic Acid Glycine (CSAG) as Surfactant-Likes Brønsted Acidic Ionic Liquid for One-Pot Synthesis of β-Amino Carbonyl”	11
Synthesis, Cytotoxicity, Antioxidant Activity, DFT Calculations, and Docking Studies of New Pyridine-Malonate Derivatives as Potential Anticancer Agents	11
NiFe ₂ O ₄ Nanoparticles: An Efficient Catalyst for One-Pot Three Component Synthesis of Acridinediones Derivatives	11
Synthesis, Biochemical Characterization, and in-Silico Investigations of Acyl-3-(Ciprofloxacinyl) Thioureas as Inhibitors of Carbonic Anhydrase-II	11
Synthesis of 2-Aryl-7-Methyl-1-Phenyl-4-Thioxo-1,4-Dihydro-Pyrano[4,3-d]Pyrimidin-5-One via a Three-Component Condensation	11
Synthesis and Biological Assessment of New Nucleosides of Pyrido[2,3-d]pyrimidine Derivatives Bearing Ribose and 2-Deoxyribose Moieties	11
Synthesis and Antimicrobial Activity of New Carbohydrazide Bearing Quinoline Scaffolds in Silico ADMET and Molecular Docking Studies	11
In-silico Study of Molecular Docking and Dynamics Simulations for N-Substituted Thiazolidinones Derived from (R)-Carvone Targeting PPAR-γ Protein: Synthesis and Characterization	11
Molecular Investigations of Novel Pyrano[2,3-c]Pyrazole Congeners as Potential HCoV-229E Inhibitors: synthesis, Molecular Modeling, 3D QSAR, and ADMET Screening	11
Diastereo- and π-Facially Selective Hetero-Diels Alder Cycloaddition Reactions of 3-Butadienyl-2-Azetidinones with Diazo-Dienophiles	11
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	11
On Analysis of Topological Aspects of Entropy Measures for Polyphenylene Structure	11
Synthesis, Biological Evaluation, and Computational Studies of 6-Fluoro-3-(Piperidin-4-yl)-1,2-Benzisoxazole Sulfonamide Conjugates	11
Synthesis, Spectroscopic Analysis, Molecular Docking, Molecular Dynamics Simulation of 5-(Adamantan-1-yl)-4-(3-Chlorophenyl)-2,4-Dihydro-3 H -1,2,4-Triazole-3-Thione, a	11
Theoretical Investigation of Inclusion Complexes of 3-Hydroxyflavone and Quercetin as Guests with Native and Modified β-Cyclodextrins as Hosts	11
In Silico Study of Selected Natural Products as SARS-CoV-2 M^ProBinder: Molecular Docking and Molecular Dynamics Simulation	11
Mg _x Cu _0.3 Zn _0.7-x La _y Fe _2-y	11
The Edge-Hyper-Wiener Index of Zigzag Single-Walled Nanotubes	10
Quinoline–1,3,4-Oxadiazole Conjugates: Synthesis, Anticancer Evaluation, and Molecular Modelling Studies	10
One Pot Three Component Synthesis of Substituted 3,4,6,7-Tetrahydro-3,3,6,6-Tetramethyl-9,10-Diphenylacridine-1,8(2H,5H,9H,10H)-Diones Catalyzed by Mesostrucrted In₂O₃-SiO_2<	10
Protective Effect of Resveratrol Against Non-Small Cell Lung Cancer: In-Vitro and In-Silico Studies	10
Antioxidant Capacity of Caffeic Acid Phenethyl Ester in Scavenging Free Radicals by a Computational Insight	10
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)	10
Shaker-Assisted Liquid–Liquid Microextraction Followed by Solidification of Floating Organic Droplet and Back-Extraction Procedure besides Partial Least Squares Regression for Simultaneous Spectrophot	10
Exploration of Non Covalent Interactions, Structural, Vibrational, Chemical Reactivity and NLO Properties of 1, 2-Diphenyl-2-Methoxyethanone Oxime: A Theoretical Approach	10
Synthesis, Anticancer and Antimicrobial Screening of New Naphthalenyl-Thiazole and Quinolinyl-Thiazole	10
Cs₂CO₃-Promoted [3 + 2] Cyclization of Chalcone and N-Tosylhydrazone	10
Naphthalene-Degrading Bacteria with Potential for Remediating Marine Environments	10
Green and Efficient Synthesis of Novel Polysubstituted 2-Pyrrolidinones under Catalyst and Solvent-Free Conditions	10
In Vitro and in Vivo Anti diabetics Study of New Oxadiazole Derivatives Along with Molecular Docking Study	10
Synthesis, Computational, Antimicrobial, Antioxidant, and ADME Study of 2-(3,4-Dimethoxyphenyl)-4 H -Chromen-4-One	10
On Topological Indices and QSPR Analysis of Drugs Used for the Treatment of Breast Cancer	10
Computational Investigation for the Removal of Hydrocarbon Sulfur Compounds by Zinc Oxide Nano-Cage (Zn₁₂O₁₂-NC)	10
Thebaine Derivatives as a New Regulator of Tumor Angiogenesis	10
On the Multiplicative Degree-Kirchhoff Indices and the Number of Spanning Trees of Linear Phenylene Chains	10
X-Ray Crystallography, Spectral Analysis, DFT Studies, and Molecular Docking of (C ₉ H ₁₅ N ₃ )	10
New Chromone-Thiazolopyrimidine Hybrids as Potent TNF-α, IL-6 and PGE2 Inhibitors: Synthesis, Anti-Inflammatory Evaluation and Molecular Modeling Studies	10
An Efficient One-Pot and Regioselective Synthesis of Novel Heterocyclic Systems of 5,6-Dihydrobenzo[b]Pyrimido[5,4-f][1,4]Oxazepine	10
Emission Factors of Polycyclic Aromatic Hydrocarbons and Oxidative Potential of Fine Particles Emitted from Crop Residues Burning	10
Utility of Pyrimidine Thione Derivatives in the Synthesis of Biologically Active Heterocyclic Compounds	10
Structural, Spectroscopic, and C-H…O Hydrogen Bonding Interaction on Structure (Monomer and Dimer) Vibrational Spectroscopic, Fukui, NCI, AIM, and RDG Analysis Molecular Docking and Molecular Dynamic	10
Computational Analysis on Molecular Stability and Binding Affinity of 3-(Aminothiazolyl)Quinolone Derivative as Multitargeting Antibacterial Agents through Ab Initio Methods and Molecular Docking	9
Theoretical Investigation of Structural, Spectroscopic (IR, ¹ H and ¹³ C NMR), Static, and Frequency-Dependent Nonlinear Optical P	9
Sustainable and Bio-Based Catalysts for Multicomponent Organic Synthesis: An Overview	9
Synthesis of Pharmacologically Potent Benzimidazole Analogs	9
Binder-Free Decorated Cu Cluster-Based Metal-Organic Framework on Copper Film for Thin-Film Microextraction of Polycyclic Aromatic Hydrocarbons Followed by High-Performance Liquid Chromatography-Photo	9
Synthesis of Three Key Impurities of Drug Dolutegravir: An Inhibitor of HIV-1 Integrase	9
4-Thiazolidinone Based 5-Arylidene Hybrids: Design, Synthesis, Antimicrobial Activity, and Molecular Docking Studies	9
Spectroscopic Studies (FT-IR, FT-Raman and UV-Vis), NBO Analysis, HOMO-LUMO, First Order Hyperpolarizability and Docking Studies of 4-[4-(Bromo-Phenylimino)-Methyl]-2-Ethoxy Phenol	9

Regio- and Stereoselective Synthesis of Dispiropyrrolidineoxindole Derivatives by Using Classical and Microwave Conditions, and Molecular Docking Studies of Them as Potential Cyclin Dependent Kinases	9
On Bond Incident Degree Indices of Random Spiro Chains	9
On Analysis of Topological Co-Indices for Triangular Benzenoids and Starphene Nanotubes	9
Borax: An Environmentally Clean Catalyst for the Synthesize of Pyrano[2,3-c]Pyrazoles and Xanthene-1,8-Diones in H₂O	9
On the Expected Values of Topological Indices in Random Phenylene Chains	9
p-TSA Catalyzed One-Pot Synthesis of 2-(1H-Indol-3-yl)-3-Phenylquinazolin-4(3H)-Ones	9
Synthesis, Characterization, Fluoride Ion Sensing and DFT Studies of Carbamate-Based Bistriazole	9
Synthesis and Biological Evaluation of Novel Benzylidene Thiazolo Pyrimidin-3(5 H )-One Derivatives	8
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	8
Algebraic Polynomial Based Topological Study of Graphite Carbon Nitride (g-) Molecular Structure.	8
Investigation of Polycyclic Aromatic Hydrocarbons (PAHs) Uptake by Cucurbita pepo under Exhaust Gas Loading	8
Embedded Nickel Complex on Naturally Biodegradable Gaur Gum: Catalytic Application for the Green Synthesis of 2-Amino-3-Cyano-7-Hydroxy-4 H -Chromenes	8
Noncovalent Interactions, Structure Elucidation and Docking Studies of anti-Fungal Pyridine Carboxamide Derivatives of Co(II), Ni(II), Cu(II) & Zn(II)	8
Computational Studies, GERS, Photovoltaic Modelling and Molecular Docking Studies of Diethylstilbestrol and Its Methyl Ether	8
Novel Urea-Functionalized Magnetic Nanoparticles as a Heterogeneous Hydrogen Bonding Catalyst for the Synthesis of New 2-Hydroxy Pyridines	8
Synthesis, Biological Evaluation, and Molecular Docking of New Benzimidazole-1,2,3-Triazole Hybrids as Antibacterial and Antitumor Agents	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
Halogenation of Pyrazolo[1,5-a]Pyrimidines with NXS	8
QSPR Modeling with Topological Indices of Some Potential Drugs against Cancer	8
Computational Evaluation of Molecular Structures and Spectroscopic Properties of Tryptamine Derivatives on Its Binding With Novel Corona Virus Proteins	8
A Dicationic Molten Salt Catalyzed Synthesis of 1,2,4-Triazolopyrimidine, Quinazolinone and Biscoumarin Derivatives under Green Conditions	8
Collaboration of Ultrasonic Irradiation and Silica Nanoparticles in the Diastereoselective Synthesis of Trans-2,3-Dihydrofuran Derivatives: An Exceptional Catalytic Activity of Sound Cavities and SiO<	8
Synthesis, Tyrosinase Inhibition, Molecular Docking, and DFT Studies of Amide Derivatives of Fexofenadine	8
Experimental Spectroscopic, Quantum Chemical, Molecular Docking, and Molecular Dynamic Simulation Studies on Hydantoin (Monomer and Dimer)	8
Computational Design of Azine-Linked Hybrids of 2-Indolinone-Thiazolodine Scaffold as Novel and Promising Quorum Sensing Inhibitors	8
Efficient and Solvent-Free Oxidation Coupling of Amines to Imines Using Persulfate as Oxidant with Ultrasound Assistance	8
Design, Synthesis and Anticancer Evaluation of Novel Bis-Thiazol-1,2,4-Triazine Hybrids Contained 1,3,4-Oxadiazoles	8
Investigating Graph Invariants for Predicting Properties of Chemical Structures of Antiviral Drugs	8
Synthesis, Characterization of CoFe₂O₄and CoAl_0.8Fe₂O₄: A Novel Catalyst for the Synthesis of 12-Aryl/Hetroaryl-8,9,10,12-Tetrahydrobenzo[a	8
Introduction of [2,2'-Bipyridine]-1,1'-Diium Perchlorate as a Novel and Highly Efficient Dicationic Brönsted Acidic Organic Salt for the Synthesis of 3-Methyl-4-Arylmethylene Isoxazole-5(4H)-On	8
Graphene Oxide as Metal-Free Catalyst in the Two-Component Reaction to Generate Some Novel Perimidines and Antimicrobial Evaluation	8
Microwave-Assisted Chemistry: New Synthetic Application for the Rapid Construction of 1H-Pyrazolo[1,2-b]Phthalazine-5,10-Dione Derivatives in Diisopropyl Ethyl Ammonium Acetate	8
Synthesis, Molecular Docking and Molecular Dynamic Studies of Thiazolidineones as Acetylcholinesterase and Butyrylcholinesterase Inhibitors	8
Therapeutic Efficacy of Benzimidazole and Its Analogs: An Update	8
Novel Indoline Spiro Derivatives As Anticancer Agents; Design, Synthesis, Molecular Docking Studies, and ADME Evaluation	8
Synthesis, Density Functional Theory, Insecticidal Activity, and Molecular Docking of Some N -Heterocycles Derived from 2-((1,3-Diphenyl-1 H	8
Investigation of Molecular Structure, Topological and Molecular Docking Studies of a Novel Anticancer Drug Pacritinib	8
Theoretical Study on Design and Feasibility of Novel Circumtrindene Derivatives to Remove Ionic Contaminants	7
Synthesis and Investigation of Biological Activity of New Oxazinoazepines: Application of Fe₃O₄/CuO/ZnO@MWCNT Magnetic Nanocomposite in Reduction of 4-Nitrophenol in Water	7
Design and Synthesis of 1,2,3-Triazole Incorporated Isoflavone Derivatives as Anticancer Agents	7
The Expected Value for the Wiener Index in the Random Spiro Chains	7
Regiochemistry in Cycloaddition Reaction to Synthesize of Some Novel Lawsone-Spiro Compounds	7
Synthesis of Novel Azo-Azomethine-Based Pd(II) Complexes and Catalytic Activities in the Synthesis of Vitamin K₃ (2-Methyl-1,4-Naphthoquinone)	7
Synthesis of Novel Acyclic Nucleoside Analogue Starting From 6-Aminouracil as Potent Antimicrobial Agent	7
A DFT Study on Diels-Alder Reaction of Dibenzazepine and 2,5-Dimethylfuran Using Different Solvents and Temperature Conditions	7
Green Approach for Four Component One Pot Synthesis of Polyhydroquinoline Catalyzed by Praseodymium Oxide Using Visible Light	7
Design, Synthesis, Docking Studies and Biological Evaluation of Novel Benzochromenopyrimidines via Silica Sulfuric Acid Catalyzed Reaction on Apoptosis in Human Cancer Cells	7
Synthesis, Crystal Structure, Intermolecular Interactions, HOMO-LUMO, MEP, NLO Properties, and DFT/TD-DFT Investigation of (Z)-5-(4-Nitrobenzylidene)-3-N(3-Chlorophenyl)-2-Thioxothiazolidin-4-One	7
Synthesis of 1-[Aryl(Selenoacetamido)Methyl]-2-Naphthol Derivatives via a Three-Component Condensation	7
Synthesis and Evaluation of Novel (5S)-5-(Aminomethyl)-3-[4-(6,7-Dihydrothieno[3,2-c]Pyridin-5(4H)-yl)Phenyl]-1,3-Oxazolidin-2-One Derivatives as Potent Antimicrobial Agents	7
Synthesis, Structural, Spectroscopic and Quantum Chemical Investigation of a Novel 1,4-Diamino-2,5-dichlorobenzenium Picrate Single Crystal: An Efficient NLO Material	7
Concentrations, Source Apportionment and Health Risk Assessment of Polycyclic Aromatic Hydrocarbons (PAHs) in Household Dust Samples, the Case of City of Khorramabad, Iran	7
Multi-Component Synthesis of Pyrido[2,3-d]Pyrimidines Catalyzed by Nano Magnetite Schiff Base Complex	7
Gram-Scalable Solvent-Free One-Pot Three-Component Synthesis of 2-Arylamino-3-Cyanopyridines	7
Computational Quantum Chemical Study, Insilco Molecular Docking and ADMET Study of (3E,5E)-3,5-Bis((1 H -Indol-3-yl)Methylene)-1-Benzylpip	7
On counting polynomials of certain classes of polycyclic aromatic hydrocarbons	7
Synthesis, Molecular Docking, and Antitumor Evaluation of Some New Pyrazole, Pyridine, and Thiazole Derivatives Incorporating Sulfonamide Residue	7
Spectroscopic Investigation of Electron-Releasing Functional Groups Substituted N-Iso-Butyl, S-2-Nitro-1-Phenylethyl Dithiocarbamate – A DFT Approach	7
Efficient Green Chemistry Approach for the Synthesis of 1,2,3-Triazoles Using Click Chemistry through Cycloaddition Reaction: Synthesis and Cytotoxic Study	7
Spectrochemical Insights into Aromatic Hydrocarbons in 1,2-Disubstituted Naphthalenes: Investigations Using 1D and 2D NMR Spectroscopy and X-Ray Crystallography Analysis	7
New MCRs in Ionic Liquid: Green Synthesis and Biological Activity Investigation of New Pyrazoloazepines: Application of Ag/Fe₃O₄/CdO@MWCNT MNCs in Reduction of Organic Pollutant	7
Comparative Analysis of Reverse Degree and Entropy Topological Indices for Drug Molecules in Blood Cancer Treatment through QSPR Regression Models	7
6-Amino-2-(4-fluorophenyl)-4-(trifluoromethyl)quinoline: Insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study	7
An Efficient Synthesis and Study of Biological Activity of New Pyrimidoazepines Using Ag/Fe₃O₄/TiO₂/CuO@MWCNTs Magnetic Nanocomposites: A Combined Experimental and The	7
Optimization of Physicochemical Conditions for the Phenanthrene Degrading Consortium NS-PAH-2015-PNP-5	7
Q-Tube Assisted Green Synthesis of Bis(Azoles) and Bis(Azines) Linked to Arene Unit	7
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	6
Electronic Spectra (Experimental and Simulated), and DFT Investigation of NLO, FMO, NBO, and MESP Characteristics of Some Biphenylcarboxaldehydes	6
Novel 1,2,4-triazolethiol–thiophen Hybrids: Facile Synthesis, Characterization, ADMET Prediction and Molecular Docking	6
Modified Metal-Organic Frameworks as an Efficient Nanoporous Adsorbent for the Removal of Naproxen from Water Sources	6
Sb(III)-Impregnated Magnetic Carbon Nitride Nanosheets: Preparation, Characterization, and Evaluation of Its Catalytic Activity for Synthesis of Imidazo-Pyridines	6
Synthesis, Antimicrobial Assay and SARs of Pyrazole Included Heterocyclic Derivatives	6
Isomers of Biologically Active 2-Aminopyrimidinium Picrate through Intrinsic Reaction Coordinate Analysis and Spectroscopic Measurements	6
Three-Component Solvent-Free Synthesis of 3, 4-Dihydropyrimidones and Thiones by Iron-Phosphonate Nanoparticle	6
Expedite Greener Method Synthesis of Pyrano[2,3-d]Pyrimidine-2,4,7-Triones Accelerated by Ultrasound Irradiation	6
Synthesis and Antimicrobial Activity of New Triazines, Tetrazines, Thiazinoquinoxalines, Thienotriazepine-imidazo[4, 5-b]quinolines from Isatin Derivatives	6
Polycyclic Aromatic Hydrocarbon in Fruits and Vegetables Grown in Turkey: Quantitative Analysis, Dietary Exposure, and Health Risk Assessment	6
A Review on Synthesis and Biological Applications of Quinoline Derivative as Fused Aromatic Compounds	6
Facile Synthesis, Biological Evaluation, DFT Studies andin SilicoPrediction ADME/Pharmacokinetics Properties ofN-(1-(2-Chlorobenzo[h]Quinolin-3-yl)-1-Substituted-vin-2-yl)Benzamide Deriv	6
Biphenyl Backbone-Based (Bis)Urea and (Bis)Thiourea Derivatives as Antimicrobial and Antioxidant Agents and Evaluation of Docking Studies and ADME Properties	6
Fe ₃ O ₄ /ZnO@MWCNT Promoted Green Synthesis of biological Active of New Azepinooxazepine Derivatives: Combination of Experimental	6
Fabrication and Characterization of a Novel and Efficient Zinc Nanomagnetic Catalyst for Multicomponent Synthesis of Heterocycles	6
Retention and Determination of Polycyclic Aromatic Hydrocarbons from Urban Air Based on Recycled Polyurethane Foam Modified with Expanded Polystyrene	6
Efficient and Greener Synthesis of Functionalized Isoniazid Azomethines from Aromatic Aldehydes and Isatins Using Citric Acid in Aqueous Ethanol	6
Synthesis and Assessment of the Cytotoxic Effects of Some Novel Biginelli 3,4-Dihydropyrmidine-2-(1H) One Derivatives Containing 2-Mercapto-3-Phenyl-4(3H)-Quinazolinone	6
Effect of Polycyclic Aromatic Hydrocarbons (PAHs) on Respiratory Diseases and the Risk Factors Related to Cancer	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
Design and Synthesis of Some New Quinoxaline-1,2,4-Oxadiazole-Amide Conjugates as EGFR Targeting Agents and ADMET Studies	6
Functionalized 2-Amino-4 H -1-Benzopyran-4-yl Phosphonate Scaffolds: Synthesis, Anticancer Evaluation and Computational Studies	6
Minimum Number of Kekulé Structures of Certain Benzenoid Graphs and Pr[m,n]-Polyacenic Nanotubes	6
Design, Synthesis and Biological Screening of Novel 1,2,4-Thiadiazole Linked Acridine Derivatives	6
Synthesis, and Cytotoxic Activity of Novel Pyrazoline-Thiazolidinone Derivatives with Molecular Docking Studies	6
Environmental Impact of 2A 2B Carcinogenic Polycyclic Aromatic Hydrocarbons (PAHs) in Industrial Soil: status, Profile, Concentration, and Assessment to Humans Health Risks	6
Computing Basis and Dimension of Chloroquine and Hydroxychloroquine by Using Chemical Graph Theory	6
DFT Simulation of Berberine Chloride with Spectroscopic Characterization – Biological activity and Molecular Docking against Breast Cancer	6