Polycyclic Aromatic Compounds

Article	Citations
Fabrication of Copper(II)-coated Magnetic Core-shell Nanoparticles an Engineered Nano-magnetic Catalyst for the Synthesis of Pyrano Pyrazole and Pyrazole Derivatives	80
The Synthesis of Polysubstituted Amino Pyrazoles Using Nano-[Zn-4NSP]Cl2 as a New Schiff Base Complex and Catalyst	64
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	48
Biodegradation of Phenanthrene Polluted Soil through Native Strains in the Darkhouvin Oil Field	44
Baker’s Yeast Promoted Facile Synthesis of Spirooxadiazepines Using Multicomponent Reactions of Ninhydrin: Investigation of Biological Activity	42
Structural, Spectroscopic, Cytotoxicity and Molecular Docking Studies of Charge Transfer Salt: 4-Aminiumantipyrine Salicylate	41
Synthesis and Insecticidal Activity of Novel Trifluoromethylbenzimidazole Linked N -Phenylamide Compounds	40
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	39
Metals Removal from Contaminated Aqueous Medium by Using Modified Cellulose-N(4)-Antipyrinyl Thiosemicarbazide	39
Synthesis of 1,2,4-Triazole Derivatives via 1,3-Benzothiazole-2,5-Diamine Supported on Nanocellulose as Novel Recyclable Nano Catalyst	38
Polycyclic Aromatic Bioactive Compounds from Eclipta Alba and Its Anticancer Potential against Breast Cancer Target Proteins: An Antibreast Cancer Intervention through	37
Spectroscopic Characterization, Quantum Chemical and Molecular Docking Studies on 1-Chloroanthraquinone: A Novel Oral Squamous Cell Carcinoma Drug	36
Synthesis and Application of Novel Magnetic Glycoluril Tetrakis(Methylene Phosphorous Acid) as a Nano Biological Catalyst for the Preparation of Nicotinonitriles via a C	34
FeCl 3 -Catalyzed Synthesis of Symmetrical Pyridines from Ketoxime Acetates Using DMFDMA as an Effective C1 Synthon	34
Multiset and Mixed Metric Dimension for Starphene and Zigzag-Edge Coronoid	32
Degree Based Weighted Entropy Indices of Hyaluronic Acid-Curcumin Conjugates: an Anti-Tumor Drug	31
Molecular Engineering of Indacenodifuran-Based Non-Fullerene Acceptors for Efficient Organic Solar Cells	29
Design, Synthesis of Some Innovative Indolo[3,2- c ]Isoquinoline-5-One Analogs and Associated Bioactivities, Pharmacophore, Molecular Docking, MEP, and Conceptual DFT St	29
Use of a New Natural Deep Eutectic Mixture for the Acceleration of Some of the Important Multi-Component Reactions	29
An Efficient Synthesis of 1, 3-Oxazine Derivatives Catalyzed under Ceric Ammonium Nitrate in an Aqueous Medium at Ambient Temperature	29
Synthesis, α-Glucosidase Inhibition, Anticancer, DFT and Molecular Docking Investigations of Pyrazole Hydrazone Derivatives	29
Recent Advancements in Microwave Assisted Synthesis of Pyrazole Analogues: An Ecological Synthetic Approach	29
Ultrasonic-Assisted Synthesis and Quantum Chemical Analysis of Spiro[Indoline-3,3′-Pyrazol]-2-One Derivatives as Effective Bactericidal and Viricidal Agents	28
Solvent-Free Green Synthesis of New Isoquinazoline Derivatives Using Three Component Reactions of Isothiocyanates	28
Catalyst-Free Synthesis of p -Tolylimino-2 H -Chromen-2-One Derivatives at Room Temperature	28

Synthesis, Biological Evaluation, and Molecular Docking Investigation of New Series of Azoimino-Sulfathiazole (AIST) Derivatives	27
Synthesis, Characterization and Study of E/Z Isomerization in 3-(2-(2,4-Dimethylphenyl) Hydrazono)-6-Fluoroquinolin-(1 H , 3 H )-2, 4-Dion	27
Steglich’s Base Catalyzed Three-Component Synthesis of Isoxazol-5-Ones	27
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
Dioxovanadium(V) Complex Incorporating Tridentate ONO Donor Aminobenzohydrazone Ligand: Synthesis, Spectral Characterization and Application as a Homogeneous Lewis Acid Catalyst in the Friedländer Syn	27
Ultrasonic Assisted Preparation of Pyrano[2,3-c]Pyrazole Derivatives Using ZnO-NiO-Fe3O4 Nano-Composite System	27
Probing and Evaluating the Anion Binding Studies in Novel Coumarin Based Strapped Calix[4]Pyrrole	27
Experimental Spectroscopic, Structural (Monomer and Dimer), Molecular Docking, Molecular Dynamics Simulation and Hirshfeld Surface Analysis of 2-Amino-6-Methylpyridine	26
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	26
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	26
Computing Degree-Based Topological Descriptors of Certain Tessellations of Kekulenes Using M-Polynomial and Neighborhood M-Polynomial	26
Synthesis of New 2-(4-(1,4-Dihydropyridin-4-yl)Phenoxy)-N-Arylacetamides and Their Heterocyclic-Fused Derivatives via Hantzsch-Like Reaction	26
Multicomponent Synthesis of Pyrano (3, 2-c) Quinolone Fused Spirochromenes	26
Comparative Green and Conventional Synthesis of 2-Hydroxy-1-Naphthaldehyde Based Barbiturates and Their DFT Study	25
Effect of Amino, Chloro, and Methyl Functional Groups on 4-(4-Hydroxyphenyl) Piperazine by Density Functional Theory and Molecular Docking Studies	25
One Pot Synthesis of Thiopyrimidine Derivatives from Lignin Reproductions by Microwave-Assisted Ultrasonic Microscopy with DFT Description for Clarifying the Mass Spectrum	25
Finding the Best Proposed Mechanism for Ugi Multi-Component Reaction by DFT Study	25
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	24
Novel Dinitrophenylhydrazones Containing 1,2,3-Triazole Nucleus as Disperse Dyes for Polyester Fabric Dyeing and Functional Finishing and Antibacterial Activities	24
Crystal Growth, Structural Elucidation, Chemical Reactivity, Topology Exploration (ELF, LOL, AIM, RDG) and NLO Activity of 4-Cumyl Phenol Crystal Using Quantum Chemical Calculation	23
Isolation of Secondary Metabolites from Pulicaria gnaphalodes (Vent.) Boiss. and Evaluation of Their anti-Proliferative Activity	23
Synthesis, Antioxidant and Antimicrobial Activity of Calix[4]Arene Acetanilide Derivative	23
In Vitro and in Silico Evaluation of Some New 1H-Benzimidazoles Bearing Thiosemicarbazide and Triazole as Epidermal Growth Factor Receptor Tyrosine Kinase Inhibitor	23
Metal Organic Framework Cu-BDC as an Efficient and Reusable Catalyst for One-Pot Synthesis of Benzophenazine Derivatives	22
Tri-vanadium Substituted Dawson-type Heteropolytungstate Nanocomposite (g-C 3 N 4 /Fe 3 O	22
A Comparative Study: Domination Parameters and Physico-Chemical Properties of Benzenoid Hydrocarbons	22
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	21
DTP/SiO2 Assisted Synthesis of New Benzimidazole-Thiazole Conjugates Targeting Antitubercular and Antioxidant Activities	21
Theoretical Analysis of the Properties of Monocarbonyl Curcumin Analogs	21
Structural, Quantum Chemical, Spectroscopic (UV, FT-IR, FT-Raman and NMR) and Molecular Docking Studies of Diphenylpyraline Hydrochloride as Antihistaminic Drug	21
The Computational Study, 3D-QSAR, and Molecular Docking Study of 2-Amino 5-Methyl Pyridine	21
2-Aryl Benzimidazole Derivatives Act as Potent Urease Inhibitors; Synthesis, Bioactivity and Molecular Docking Study	20
Introduction of an Efficient Protocol for the Synthesis of Some of the Pyrimidine Derivatives under Solvent-Free Conditions	20
On the Number of Matchings of Two Classes of Silicate Molecular Graphs	19
Facile Synthesis and Antioxidant Activity Screening of Some Novel 3-Substituted Indole Derivatives	19
Triethylammonium Hydrogen Sulfate Ionic Liquid-Assisted Highly Efficient Synthesis of Bis(indoyl)methanes	18
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	18
Topological Co-Indices of Molecular Structure of Porphyrazine Network	18
Synthesis, Characterization, DFT Analysis, Biological Evaluation, and Molecular Docking of Schiff Base Derived from Isatin–Isoniazid and Its Metal (II) Complexes	17
Design, Synthesis, Drug-Likeness, anti-Inflammatory, Antimicrobial Activity, and Molecular Docking Studies of Pyrimidine Analogs	17
Health Risk Assessment of Polycyclic Aromatic Hydrocarbons from Cooking Fuels burning in Nigeria	17
Synthesis, Antimicrobial Evaluation, and Docking Studies of Substituted New Chromone Linked 1,2,3-Triazoles	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	17
Polycyclic Aromatic Hydrocarbons in Surface Waters from India: Possible Sources and Risk Assessment	17
Magnetic MCR-Functionalized Graphene Oxide Complexed with Copper Nano-Particles: An Efficient and Recyclable Nanocatalyst for Ullmann C–N Coupling Reaction	17
Synthesis of Novel Benzoxazole Derivatives: Exploration of Their Possible Pharmacological Profiles with Computational Studies	16
A Sonochemical Access to 5-Aryl Substituted Pyrazolo[1,5-a]Pyrimidines as Potential Inhibitors of TNF-α	16
Wittig Synthesis, Optical Properties and Electrochemical Behaviors of Some Conjugated Derivatives of 4-Pyrones	16
Novel Small Molecule Derived from Hydroxy Naphthaldhyde as Potential Anti-Leukemia Agents: Spectroscopic, DFT, Docking Molecular and ADME/T Investigations	16

Synthesis, Spectroscopic Characterization, DFT, and Molecular Docking Analysis of Some Salicylideneaniline Schiff Base Derivatives as Potential Antioxidant Compounds	16
Halloysite Nanotube Modified (CuO@HNTs-SO 3 H) Novel Heterogeneous Catalyst for One-Pot Synthesis of Tetrahydrobenzo[ ɑ ]Xanthen-11-On	15
Molecular Modelling of Aromatic Interactions between Pyrene Derivatives and Carbon Nanotubes: Materials for Biomedical Applications	15
One-Pot Three Component Synthesis of Quinazolin-4(3 H )-One Derivatives: Investigation of Photophysical Properties and FRET Application toward Protein Lysozyme	15
NiFe 2 O 4 Nanoparticles: An Efficient Catalyst for One-Pot Three Component Synthesis of Acridinediones Derivatives	15
Diastereo- and π-Facially Selective Hetero-Diels Alder Cycloaddition Reactions of 3-Butadienyl-2-Azetidinones with Diazo-Dienophiles	15
In Silico Study of Selected Natural Products as SARS-CoV-2 MProBinder: Molecular Docking and Molecular Dynamics Simulation	14
New Benzochromeno[2,3-d]Pyrimidines and Benzochromenotriazolo[1,5-c]Pyrimidines as Potential Inhibitors of Topoisomerase II	14
Study of Thermodynamic and Dielectric Parameters of Xylene and Its Isomers Using Time Domain Dielectric Spectroscopy	14
In-silico Study of Molecular Docking and Dynamics Simulations for N-Substituted Thiazolidinones Derived from (R)-Carvone Targeting PPAR-γ Protein: Synthesis and Characterization	14
Fe3O4@SP@Chitosan@Fe3O4 Nanocomposite: A Catalyst with Double Magnetite Parts for Sustainable Synthesis of Novel Azo-Linked 4-Benzylidene-2-Phenyloxazol-5-O	14
Computing Some Eccentricity-Based Topological Indices of Para-Line Graphs of Hexagonal Cactus Chains	14
A Novel of Azo-Thiazole Moiety Alternative for Benzidine-Based Pigments: Design, Synthesis, Characterization, Biological Evaluation, and Molecular Docking Study	14
Development of a New Manufacturing Route for Benzoylphenylureas and Their Key Intermediates	14
Biological Activity and Molecular Docking Study of Some Bicyclic Structures: Antidiabetic and Anticholinergic Potentials	14
Synthesis, Cytotoxicity, Antioxidant Activity, DFT Calculations, and Docking Studies of New Pyridine-Malonate Derivatives as Potential Anticancer Agents	14
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	13
Measuring Irregularities in the Chemical Compound: Porous Graphene	13
Theoretical Investigation of Inclusion Complexes of 3-Hydroxyflavone and Quercetin as Guests with Native and Modified β-Cyclodextrins as Hosts	13
Synthesis, Biochemical Characterization, and in-Silico Investigations of Acyl-3-(Ciprofloxacinyl) Thioureas as Inhibitors of Carbonic Anhydrase-II	13
Molecular Investigations of Novel Pyrano[2,3-c]Pyrazole Congeners as Potential HCoV-229E Inhibitors: synthesis, Molecular Modeling, 3D QSAR, and ADMET Screening	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
Synthesis and Biological Activity Investigation of New Oxazolopyrimidoazepine Derivatives: Application of Ag/Fe 3 O 4 /TiO	13
Synthesis of 4 H -3,1-Benzothiazin-4-Ones via C-N/C-S Bond Forming Reactions	13
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	13
Construction and Characterization of Fe 3 O 4 -Bis[Imine-Pyridine]-Cu(OAc) 2 Nanocomposite: A N	13
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	13
Synthesis, Antibacterial, Anti-Biofilm Properties, and Docking Study of Indeno[1,2-b]Pyridin-5-One Derivatives	13
COMMENTS ON “S-(+) Camphorsulfonic Acid Glycine (CSAG) as Surfactant-Likes Brønsted Acidic Ionic Liquid for One-Pot Synthesis of β-Amino Carbonyl”	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
Mg x Cu 0.3 Zn 0.7-x La y Fe 2-y	13
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	13
Design and Synthesis of Some New N -(Thiazol-2-yl) Benzamides of Quinoxaline as DNA Topoisomerase II Targeting Anticancer Agents and ADMET	13
The Effects of Conjugated Fused Ring System: An Investigation of Electronic, Nonlinear Optical, X-Ray Structural Properties and Computational Studies on Chalcone Derivatives	13
New Chromone-Thiazolopyrimidine Hybrids as Potent TNF-α, IL-6 and PGE2 Inhibitors: Synthesis, Anti-Inflammatory Evaluation and Molecular Modeling Studies	12
X-Ray Crystallography, Spectral Analysis, DFT Studies, and Molecular Docking of (C 9 H 15 N 3 )	12
Cs2CO3-Promoted [3 + 2] Cyclization of Chalcone and N-Tosylhydrazone	12
Protective Effect of Resveratrol Against Non-Small Cell Lung Cancer: In-Vitro and In-Silico Studies	12
Synthesis, Biological Evaluation, and Computational Studies of 6-Fluoro-3-(Piperidin-4-yl)-1,2-Benzisoxazole Sulfonamide Conjugates	12
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	12
Exploration of Non Covalent Interactions, Structural, Vibrational, Chemical Reactivity and NLO Properties of 1, 2-Diphenyl-2-Methoxyethanone Oxime: A Theoretical Approach	12
Computational Investigation for the Removal of Hydrocarbon Sulfur Compounds by Zinc Oxide Nano-Cage (Zn12O12-NC)	12
The Edge-Hyper-Wiener Index of Zigzag Single-Walled Nanotubes	12
Naphthalene-Degrading Bacteria with Potential for Remediating Marine Environments	12
Antioxidant Capacity of Caffeic Acid Phenethyl Ester in Scavenging Free Radicals by a Computational Insight	12
Synthesis, Anticancer and Antimicrobial Screening of New Naphthalenyl-Thiazole and Quinolinyl-Thiazole	12
Quinoline–1,3,4-Oxadiazole Conjugates: Synthesis, Anticancer Evaluation, and Molecular Modelling Studies	12
Green and Efficient Synthesis of Novel Polysubstituted 2-Pyrrolidinones under Catalyst and Solvent-Free Conditions	11
Synthesis, Anticancer Activity, ADMET, DFT, Molecular Docking and Molecular Dynamics Study of Pyrazole-Incorporated Monocarbonyl Curcumin Analogues	11
Synthesis and Biological Assessment of New Nucleosides of Pyrido[2,3-d]pyrimidine Derivatives Bearing Ribose and 2-Deoxyribose Moieties	11
Sustainable and Bio-Based Catalysts for Multicomponent Organic Synthesis: An Overview	11
Synthesis, Computational, Antimicrobial, Antioxidant, and ADME Study of 2-(3,4-Dimethoxyphenyl)-4 H -Chromen-4-One	11
On Topological Indices and QSPR Analysis of Drugs Used for the Treatment of Breast Cancer	11
An Efficient One-Pot and Regioselective Synthesis of Novel Heterocyclic Systems of 5,6-Dihydrobenzo[b]Pyrimido[5,4-f][1,4]Oxazepine	11
Utility of Pyrimidine Thione Derivatives in the Synthesis of Biologically Active Heterocyclic Compounds	11
Shaker-Assisted Liquid–Liquid Microextraction Followed by Solidification of Floating Organic Droplet and Back-Extraction Procedure besides Partial Least Squares Regression for Simultaneous Spectrophot	11
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	11
On the Multiplicative Degree-Kirchhoff Indices and the Number of Spanning Trees of Linear Phenylene Chains	11
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)	11
In Vitro and in Vivo Anti diabetics Study of New Oxadiazole Derivatives Along with Molecular Docking Study	11
Tetrabutylammonium-salt, a novel ionic medium for the synthesis of quinoline–hybrid chalcones, and its biological evaluation	11
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-SiO2<	11
Synthesis and Antimicrobial Activity of New Carbohydrazide Bearing Quinoline Scaffolds in Silico ADMET and Molecular Docking Studies	11
Novel Indoline Spiro Derivatives As Anticancer Agents; Design, Synthesis, Molecular Docking Studies, and ADME Evaluation	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	10
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	10
Computational Studies, GERS, Photovoltaic Modelling and Molecular Docking Studies of Diethylstilbestrol and Its Methyl Ether	10
Novel Urea-Functionalized Magnetic Nanoparticles as a Heterogeneous Hydrogen Bonding Catalyst for the Synthesis of New 2-Hydroxy Pyridines	10
Therapeutic Efficacy of Benzimidazole and Its Analogs: An Update	10
Experimental Spectroscopic, Quantum Chemical, Molecular Docking, and Molecular Dynamic Simulation Studies on Hydantoin (Monomer and Dimer)	10
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	10
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	10
4-Thiazolidinone Based 5-Arylidene Hybrids: Design, Synthesis, Antimicrobial Activity, and Molecular Docking Studies	10
Design, Synthesis and Anticancer Evaluation of Novel Bis-Thiazol-1,2,4-Triazine Hybrids Contained 1,3,4-Oxadiazoles	10
Efficient and Solvent-Free Oxidation Coupling of Amines to Imines Using Persulfate as Oxidant with Ultrasound Assistance	10
On Bond Incident Degree Indices of Random Spiro Chains	10
Synthesis and Biological Evaluation of Novel Benzylidene Thiazolo Pyrimidin-3(5 H )-One Derivatives	10
p-TSA Catalyzed One-Pot Synthesis of 2-(1H-Indol-3-yl)-3-Phenylquinazolin-4(3H)-Ones	10
Regio- and Stereoselective Synthesis of Dispiropyrrolidineoxindole Derivatives by Using Classical and Microwave Conditions, and Molecular Docking Studies of Them as Potential Cyclin Dependent Kinases	10
On Analysis of Topological Aspects of Entropy Measures for Polyphenylene Structure	10

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	10
Noncovalent Interactions, Structure Elucidation and Docking Studies of anti-Fungal Pyridine Carboxamide Derivatives of Co(II), Ni(II), Cu(II) & Zn(II)	10
Theoretical Investigation of Structural, Spectroscopic (IR, 1 H and 13 C NMR), Static, and Frequency-Dependent Nonlinear Optical P	10
Synthesis, Tyrosinase Inhibition, Molecular Docking, and DFT Studies of Amide Derivatives of Fexofenadine	10
Synthesis of Three Key Impurities of Drug Dolutegravir: An Inhibitor of HIV-1 Integrase	9
On Analysis of Topological Co-Indices for Triangular Benzenoids and Starphene Nanotubes	9
Synthesis, Biological Evaluation, and Molecular Docking of New Benzimidazole-1,2,3-Triazole Hybrids as Antibacterial and Antitumor Agents	9
Borax: An Environmentally Clean Catalyst for the Synthesize of Pyrano[2,3-c]Pyrazoles and Xanthene-1,8-Diones in H2O	9
Design and Synthesis of 1,2,3-Triazole Incorporated Isoflavone Derivatives as Anticancer Agents	9
Synthesis of 1-[Aryl(Selenoacetamido)Methyl]-2-Naphthol Derivatives via a Three-Component Condensation	9
Investigating Graph Invariants for Predicting Properties of Chemical Structures of Antiviral Drugs	9
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	9
Synthesis, Characterization, Fluoride Ion Sensing and DFT Studies of Carbamate-Based Bistriazole	9
On the Expected Values of Topological Indices in Random Phenylene Chains	9
QSPR Modeling with Topological Indices of Some Potential Drugs against Cancer	9
Computational Design of Azine-Linked Hybrids of 2-Indolinone-Thiazolodine Scaffold as Novel and Promising Quorum Sensing Inhibitors	9
Spectroscopic Investigation of Electron-Releasing Functional Groups Substituted N-Iso-Butyl, S-2-Nitro-1-Phenylethyl Dithiocarbamate – A DFT Approach	9
Synthesis of Novel Azo-Azomethine-Based Pd(II) Complexes and Catalytic Activities in the Synthesis of Vitamin K3 (2-Methyl-1,4-Naphthoquinone)	9
Gram-Scalable Solvent-Free One-Pot Three-Component Synthesis of 2-Arylamino-3-Cyanopyridines	9
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	9
Synthesis, Density Functional Theory, Insecticidal Activity, and Molecular Docking of Some N -Heterocycles Derived from 2-((1,3-Diphenyl-1 H	9
Investigation of Molecular Structure, Topological and Molecular Docking Studies of a Novel Anticancer Drug Pacritinib	9
Synthesis of Pharmacologically Potent Benzimidazole Analogs	9
Computational Evaluation of Molecular Structures and Spectroscopic Properties of Tryptamine Derivatives on Its Binding With Novel Corona Virus Proteins	9
Computational Quantum Chemical Study, Insilco Molecular Docking and ADMET Study of (3E,5E)-3,5-Bis((1 H -Indol-3-yl)Methylene)-1-Benzylpip	9
An Efficient Synthesis and Study of Biological Activity of New Pyrimidoazepines Using Ag/Fe 3 O 4 /TiO 2	9
A DFT Study on Diels-Alder Reaction of Dibenzazepine and 2,5-Dimethylfuran Using Different Solvents and Temperature Conditions	9
Synthesis, Characterization of CoFe2O4and CoAl0.8Fe2O4: A Novel Catalyst for the Synthesis of 12-Aryl/Hetroaryl-8,9,10,12-Tetrahydrobenzo[a	9
Synthesis, Molecular Docking and Molecular Dynamic Studies of Thiazolidineones as Acetylcholinesterase and Butyrylcholinesterase Inhibitors	8
Optimization of Physicochemical Conditions for the Phenanthrene Degrading Consortium NS-PAH-2015-PNP-5	8
Q-Tube Assisted Green Synthesis of Bis(Azoles) and Bis(Azines) Linked to Arene Unit	8
Halogenation of Pyrazolo[1,5-a]Pyrimidines with NXS	8
Synthesis of 1 H -Pyrazolo[1,2- b ]Phthalazine-5,10-Dione and 1 H -Pyrazolo[1,2- a	8
A Triazine-Based Cationic Covalent Organic Framework as a Robust Adsorbent for Removal of Methyl Orange	8
Polycyclic Aromatic Hydrocarbon (PAH) Residues in the Honeybee, Honey, and Pollen and Estimation of Atmospheric Concentrations in Bursa, Turkey	8
Experimental and DFT Quantum Chemical Studies on Structural, Vibrational and Molecular Properties of Some Substituted 4-Phenylphenols	8
Synthesis and Antiproliferative Screening of Some Heterocycles Derived from 4-((5-Chloro-3-Methyl-1-Phenyl-1 H -Pyrazol-4-yl)Methylene)-2-Phenyloxazol-5(4	8
Multi-Component Synthesis of Pyrido[2,3- d ]Pyrimidines Catalyzed by Nano Magnetite Schiff Base Complex	8
Comparative Analysis of Reverse Degree and Entropy Topological Indices for Drug Molecules in Blood Cancer Treatment through QSPR Regression Models	8
Synthesis of 11 H -Benzo[b]Fluoren-11-One via an Unprecedented Cascade Reaction of O -Phthaladehyde	8
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	8
A New Approach to the Ring-Opening of Epoxides under Mild and Green Conditions	8
Investigation of Polycyclic Aromatic Hydrocarbons (PAHs) Uptake by Cucurbita pepo under Exhaust Gas Loading	8
6-Amino-2-(4-fluorophenyl)-4-(trifluoromethyl)quinoline: Insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study	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
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
The Expected Value for the Wiener Index in the Random Spiro Chains	8
Ultrasound Promoted One-Pot Multicomponent Synthesis of Highly Functionalized Tetrahydropyridine Derivatives	8
Green Synthesis of Dihydropyrimidines and Pyridines Utilizing Biginelli Reaction	8
Improved and ‘Nitrosamines Free’ Process for the Preparation of an α4β2 Neuronal Nicotinic Acetylcholine Receptor Agonist-Varenicline Tartrate	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
Spectrochemical Insights into Aromatic Hydrocarbons in 1,2-Disubstituted Naphthalenes: Investigations Using 1D and 2D NMR Spectroscopy and X-Ray Crystallography Analysis	8
Synthesis, Molecular Docking, and Antitumor Evaluation of Some New Pyrazole, Pyridine, and Thiazole Derivatives Incorporating Sulfonamide Residue	8
Synthesis and Characterization of Novel Benzothiazinonic N -Acylhydrazone Derivatives	8
On counting polynomials of certain classes of polycyclic aromatic hydrocarbons	8
QSPR Analysis of the Generalized Irregular Neighborhood Valency Descriptor of Some Basic Polycyclic Aromatic Hydrocarbons	8
Design, Synthesis, Docking Studies and Biological Evaluation of Novel Benzochromenopyrimidines via Silica Sulfuric Acid Catalyzed Reaction on Apoptosis in Human Cancer Cells	8
Theoretical Study on Design and Feasibility of Novel Circumtrindene Derivatives to Remove Ionic Contaminants	8
Graphene Oxide as Metal-Free Catalyst in the Two-Component Reaction to Generate Some Novel Perimidines and Antimicrobial Evaluation	8
Efficient Green Chemistry Approach for the Synthesis of 1,2,3-Triazoles Using Click Chemistry through Cycloaddition Reaction: Synthesis and Cytotoxic Study	8
Synthesis, Structural, Spectroscopic and Quantum Chemical Investigation of a Novel 1,4-Diamino-2,5-dichlorobenzenium Picrate Single Crystal: An Efficient NLO Material	8
Regiochemistry in Cycloaddition Reaction to Synthesize of Some Novel Lawsone-Spiro Compounds	8
Design, Synthesis, and Biological Evaluation of Tryptanthrin Alkaloids as Potential anti-Diabetic and Anticancer Agents	8
Introduction of Click Synthesized Novel Organic-Inorganic Solid Acid Catalysts for Highly Promoted Synthesis of Substituted Xanthenes	8
A Dicationic Molten Salt Catalyzed Synthesis of 1,2,4-Triazolopyrimidine, Quinazolinone and Biscoumarin Derivatives under Green Conditions	8
Synthesis and Investigation of Biological Activity of New Oxazinoazepines: Application of Fe3O4/CuO/ZnO@MWCNT Magnetic Nanocomposite in Reduction of 4-Nitrophenol in Water	8
An Efficient Protocol for the Synthesis of Amcinonide from Tetraene Acetate	8
Concentrations, Source Apportionment and Health Risk Assessment of Polycyclic Aromatic Hydrocarbons (PAHs) in Household Dust Samples, the Case of City of Khorramabad, Iran	8
Spectroscopic (FT-IR, FT-Raman, UV-vis and NMR) Investigation, Molecular Structure, Docking and Chemical Reactivity Elucidation of Antifungal Drug Tioconazole	8
Synthesis, and Cytotoxic Activity of Novel Pyrazoline-Thiazolidinone Derivatives with Molecular Docking Studies	7
Sb(III)-Impregnated Magnetic Carbon Nitride Nanosheets: Preparation, Characterization, and Evaluation of Its Catalytic Activity for Synthesis of Imidazo-Pyridines	7
Effect of Polycyclic Aromatic Hydrocarbons (PAHs) on Respiratory Diseases and the Risk Factors Related to Cancer	7
Synthesis, Antimicrobial Assay and SARs of Pyrazole Included Heterocyclic Derivatives	7
Retention and Determination of Polycyclic Aromatic Hydrocarbons from Urban Air Based on Recycled Polyurethane Foam Modified with Expanded Polystyrene	7
A Review on Synthesis and Biological Applications of Quinoline Derivative as Fused Aromatic Compounds	7
Design, Synthesis, Biological Activity, and Molecular Modeling of Novel Spiroquinazoline Derivatives as Acetylcholinesterase Inhibitors for Alzheimer Disease	7
Isomers of Biologically Active 2-Aminopyrimidinium Picrate through Intrinsic Reaction Coordinate Analysis and Spectroscopic Measurements	7
Experimental Spectroscopic, DFT, Molecular Docking, and Molecular Dynamics Simulation Investigations on m-Phenylenediamine (Monomer and Trimer)	7
Structural, Spectroscopic, NBO and Molecular Docking Analysis of 5-Nitrobenzimidazole – A DFT Approach	7
Design, Synthesis and Biological Screening of Novel 1,2,4-Thiadiazole Linked Acridine Derivatives	7
Efficient and Greener Synthesis of Functionalized Isoniazid Azomethines from Aromatic Aldehydes and Isatins Using Citric Acid in Aqueous Ethanol	7
Monitoring of PAHs (Fluoranthene and Benzo(a)Anthracene) in Ambient Air of Ghaziabad Area of National Capital Region and Control of Air Pollution by Triveni Wood	7
Silica-Supported Molybdic Acid-Catalyzed Synthesis of New and Known Chromeno-Pyrano[2,3-b]Quinolines through a Green Route	7
Design and Synthesis of Some New Quinoxaline-1,2,4-Oxadiazole-Amide Conjugates as EGFR Targeting Agents and ADMET Studies	7
Synthesis of 5-Oxo-2,5-Dihydro-3-Furancarboxylates Using Nano-CuO	7
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	7
Synthesis and Evaluation of Novel (5S)-5-(Aminomethyl)-3-[4-(6,7-Dihydrothieno[3,2- c ]Pyridin-5(4 H )-yl)Phenyl]-1,3-Oxazolidin-2-One Der	7
Biphenyl Backbone-Based (Bis)Urea and (Bis)Thiourea Derivatives as Antimicrobial and Antioxidant Agents and Evaluation of Docking Studies and ADME Properties	7
Facile Synthesis, Biological Evaluation, DFT Studies and in Silico Prediction ADME/Pharmacokinetics Properties of N -(1-(2-Chlorobenzo[h]Q	7
On Degree Based Topological Aspects of Some Dendrimers	7
Electronic Spectra (Experimental and Simulated), and DFT Investigation of NLO, FMO, NBO, and MESP Characteristics of Some Biphenylcarboxaldehydes	7
Fe 3 O 4 /ZnO@MWCNT Promoted Green Synthesis of biological Active of New Azepinooxazepine Derivatives: Combination of Experimental	7
Synthesis and Antimicrobial Activity of New Triazines, Tetrazines, Thiazinoquinoxalines, Thienotriazepine-imidazo[4, 5-b]quinolines from Isatin Derivatives	7
Green Synthesis of Novel [1,3,4]Thiadiazolo[3,2-a]Pyrimidines via Three-Component Reaction of 5-Amino-1,3,4-Thiadiazole-2-Thiol, Aromatic Aldehydes, and Meldrum’s Acid	7
Synthesis of Novel Acyclic Nucleoside Analogue Starting From 6-Aminouracil as Potent Antimicrobial Agent	7