Molecules

Papers
(The H4-Index of Molecules is 129. 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 2022-08-01 to 2026-08-01.)
ArticleCitations
Conjugative Stabilization versus Anchimeric Assistance in Carbocations980
In situ Electrochemical Evaluation of the Interaction of dsDNA with the Proteasome Inhibitor Anticancer Drug Bortezomib812
Effects of Different Irrigation Regimes, Nitrogen Levels and Storage Conditions on Volatiles of ‘Gala’ Apple704
Investigating the Catalytic Influence of Boron on Ni-Co/Ca Catalysts for Improved Syngas Generation from Rice Straw Pyrolysis693
Electrochemical Nickel-Catalyzed Synthesis of Unsymmetrical Diorganyl Selanes from Diaryl Diselanes and Aryl and Alkyl Iodides579
Volatile Organic Compounds Induced upon Viral Infection in Cell Culture: Uniform Background Study with Use of Viruses from Different Families574
Thermal and Structural Characterization of Two Crystalline Polymorphs of Tafamidis Free Acid554
Remediation of Soil Mercury by Modified Vermiculite-Montmorillonite and Its Effect on the Growth of Brassica chinensis L.525
Production of Agarose-Hydroxyapatite Composites via Supercritical Gel Drying, for Bone Tissue Engineering422
Synthesis, Properties, and Application of Small-Molecule Hole-Transporting Materials Based on Acetylene-Linked Thiophene Core415
Photochemical Generation and Characterization of C-Aminophenyl-Nitrilimines: Insights on Their Bond-Shift Isomers by Matrix-Isolation IR Spectroscopy and Density Functional Theory Calculations385
Sweet-Potato-Vine-Based High-Performance Porous Carbon for Methylene Blue Adsorption380
Cytoskeleton Remodeling-Related Proteins Represent a Specific Salivary Signature in PSC Patients366
A Workflow Combining Machine Learning with Molecular Simulations Uncovers Potential Dual-Target Inhibitors against BTK and JAK3359
Layered Double Hydroxides as Systems for Capturing Small-Molecule Air Pollutants: A Density Functional Theory Study354
The HELP-UnaG Fusion Protein as a Bilirubin Biosensor: From Theory to Mature Technological Development354
The Thermal Activation of Serpentinite from the Zhitikarinsky Deposit (Kazakhstan)353
Improved Metal Cation Optosensing Membranes through the Incorporation of Sulphated Polysaccharides351
Unlocking the Secrets of Roman Chamomile (Anthemis nobilis L.) Essential Oil: Structural Elucidation and Acute Toxicity of New Esters349
Two New 1D Supramolecular Compounds Based on PbI2 for Efficient Iodine Capture335
Self-Assembled Monolayers of Molecular Conductors with Terpyridine-Metal Redox Switching Elements: A Combined AFM, STM and Electrochemical Study328
Chemical Composition of Nanoglobular Material on the Surface of Rubber Regenerate Prepared by Explosive Circulation Technology327
Four Chemotherapeutic Compounds That Limit Blood-Brain-Barrier Invasion by Toxoplasma gondii323
Production and Characterization of Nanostructured Powders of Nd2Fe14B and Fe90Al10 by Mechanical Alloying312
Electrochemistry of Tetrathiafulvalene Ligands Assembled on the Surface of Gold Nanoparticles305
Preparation of a Silicon/MXene Composite Electrode by a High-Pressure Forming Method and Its Application in Li+-Ion Storage293
Improving Anti-Corrosion Property of Aluminium Alloy by Fabrication MAO Coating via Mixing Titanium Potassium Oxalate into Electrolyte283
In Silico Design of Natural Inhibitors of ApoE4 from the Plant Moringa oleifera: Molecular Docking and Ab Initio Fragment Molecular Orbital Calculations271
Very Low-Pressure CID Experiments: High Energy Transfer and Fragmentation Pattern at the Single Collision Regime266
Recent Advances in the Modulation of Cholinergic Signaling252
Methyl and Ethyl Ethers of Glycerol as Potential Green Low-Melting Technical Fluids247
Optimisation of Polyphenols Extraction from Wild Bilberry Leaves—Antimicrobial Properties and Stability Studies246
Selective Functionalization of Carbonyl Closo-Decaborate [2-B10H9CO]− with Building Block Properties via Grignard Reagents240
Sweet Wine Production from the Side-Stream of Industrial Corinthian Currant Processing: Product Quality, Antioxidant Capacity, and Volatilome237
Enhancing the High-Solid Anaerobic Digestion of Horticultural Waste by Adding Surfactants236
Palladium-Catalyzed Acetoxylation of γ-Dehydro-aryl-himachalene: The Synthesis of a Novel Allylic Acetoxylated Sesquiterpene and a π-Allyl Palladium(II) Complex235
Photocurable Hypervalent Fluorinated Sulfur Containing Thin Films with Remarkable Hardness and Modulus230
S-Ethyl-Isothiocitrullin-Based Dipeptides and 1,2,4-Oxadiazole Pseudo-Dipeptides: Solid Phase Synthesis and Evaluation as NO Synthase Inhibitors229
Thermodynamic Characterization of Rhamnolipid, Triton X-165 and Ethanol as well as Their Mixture Behaviour at the Water-Air Interface229
Conversion of a Single-Frequency X-Band EPR Spectrometer into a Broadband Multi-Frequency 0.1–18 GHz Instrument for Analysis of Complex Molecular Spin Hamiltonians226
Inhibitory Potential of Quercetin Derivatives Isolated from the Aerial Parts of Siegesbeckia pubescens Makino against Bacterial Neuraminidase220
Selecting Nanobodies Specific for the Epidermal Growth Factor from a Synthetic Nanobody Library219
A MD Simulation Prediction for Regulation of N-Terminal Modification on Binding of CD47 to CD172a in a Force-Dependent Manner218
Tethered Indoxyl-Glucuronides for Enzymatically Triggered Cross-Linking211
Achieving Boron–Carbon–Nitrogen Heterostructures by Collision Fusion of Carbon Nanotubes and Boron Nitride Nanotubes211
A Novel Multi-Target Mu/Delta Opioid Receptor Agonist, HAGD, Produced Potent Peripheral Antinociception with Limited Side Effects in Mice and Minimal Impact on Human Sperm Motility In Vitro209
Construction of Heterogeneous Aggregation-Induced Emission Microspheres with Enhanced Multi-Mode Information Encryption208
Kinetically Assisted Chemical Removal of Organic Contaminants by Reactive Oxygen Species: Insights from ReaxFF Molecular Dynamics Simulations208
Storage Time in Bottle: Influence on Physicochemical and Phytochemical Characteristics of Wine Spirits Aged Using Traditional and Alternative Technologies204
Determination of Phosphate as an Ion-Association Complex of 11-Molybdovanadophosphate and Diindodicarbocyanine Based on Selective Oxidation of Excess Dye202
Development of Nanomaterials for Energy and Environmental Applications202
Unraveling the Specific Recognition Between PD-L1 and Engineered CLP002 Functionalized Gold Nanostructures: MD Simulation Studies201
Effects of Different Adduct Ions, Ionization Temperatures, and Solvents on the Ion Mobility of Glycans198
Solvent-Driven Enrichment and Multiplex Analysis of Local Anesthetics by Thin-Layer Chromatography Coupled with Surface-Enhanced Raman Spectroscopy198
Quantitative Study on the Adsorption State of n-Octane in Kaolinite Slit-like Pores Based on Four Angular Parameters196
Establishment of Callus Cultures from Dalbergia sissoo Leaf Explants for Production of Skin Therapeutics: An In Vitro and In Silico Study196
Density Functional Calculation and Evaluation of the Spectroscopic Properties and Luminescent Material Application Potential of the N-Heterocyclic Platinum(II) Tetracarbene Complexes196
Structure-Antitumor Activity Relationships of Aza- and Diaza-Anthracene-2,9,10-Triones and Their Partially Saturated Derivatives195
Identification of a Synthetic Polyhydroxyphenolic Resveratrol Analogue, 3,3′,4,4′,5,5′-Hexahydroxy-trans-Stilbene with Anti-SARS-CoV-2 Activity187
Identification of Plant Peptides as Novel Inhibitors of Orthohepevirus A (HEV) Capsid Protein by Virtual Screening187
The Group Contribution to the Function Derived from Density and Speed-of-Sound Measurements for Glymes in N,N-Dimethylformamide + Water Mixtures184
Physical Mechanism of Nonlinear Spectra in Triangene184
Synthesis and Structural Characterization of Phosphanide Gold(III)/Gold(I) Complexes and Their Thallium(III) and Gold(III) Precursors182
Phosphasilazanes as Inhibitors for Respirable Fiber Fragments Formed during Burning of Carbon-Fiber-Reinforced Epoxy Resins180
The Crystal Structure of Dodecahedral Ba2+ Hexa-Perchlorate Complex Tetrakis 1-N-Propyl-3-vinyl-imidazol-1-ium·Barium Hexa-Perchlorate178
DABCO-Intercalated α-Zirconium Phosphate as a Latent Thermal Catalyst in the Reaction of Urethane Synthesis177
The Unexpected Chemistry of Thiacalix[4]arene Monosulfoxide176
β2-Chimaerin, a GTPase-Activating Protein for Rac1, Is a Novel Regulator of Hepatic Insulin Signaling and Glucose Metabolism176
Synthesis and Characterization of Cross-Linked Aggregates of Peroxidase from Megathyrsus maximus (Guinea Grass) and Their Application for Indigo Carmine Decolorization176
Stationary External Electric Field—Mimicking the Solvent Effect on the Ground-State Tautomerism and Excited-State Proton Transfer in 8-(Benzo[d]thiazol-2-yl)quinolin-7-ol174
Prediction of Two-Dimensional Janus Transition-Metal Chalcogenides: Robust Ferromagnetic Semiconductor with High Curie Temperature173
Synthesis and Isolation of Phenol- and Thiol-Derived Epicatechin Adducts Prepared from Avocado Peel Procyanidins Using Centrifugal Partition Chromatography and the Evaluation of Their Antimicrobial an171
Identification of Vernonia patula Merr. and Its Similar Varieties Based on a Combination of HPLC Fingerprinting and Chemical Pattern Recognition167
Unraveling Light-Activated Insulin Action in Regulating Blood Glucose: New Photoactivatable Insight as a Novel Modality in Diabetes Management166
Multi-Component Syntheses of Spiro[furan-2,3′-indoline]-3-carboxylate Derivatives Using Ionic Liquid Catalysts165
Photoredox-Catalyzed Decarboxylative Cross-Coupling Reaction to Synthesis Unsymmetrical Diarylmethanes164
Identification of New Substrates and Inhibitors of Human CYP2A7164
Rapid Identification of Wild Gentiana Genus in Different Geographical Locations Based on FT-IR and an Improved Neural Network Structure Double-Net162
Geochemical Study of Bitumen Residues on Potsherds from the al-Qusur Monastery (7th–9th c. CE): Composition and Origin160
Development of GBRT Model as a Novel and Robust Mathematical Model to Predict and Optimize the Solubility of Decitabine as an Anti-Cancer Drug160
Deamination of 1-Aminoalkylphosphonic Acids: Reaction Intermediates and Selectivity159
Polyoxygenated Terpenoids and Polyketides from the Roots of Flueggea virosa and Their Inhibitory Effect against SARS-CoV-2-Induced Inflammation158
Influence of Caffeic and Caftaric Acid, Fructose, and Storage Temperature on Furan Derivatives in Base Wine157
Robust Anionic Framework Based on Sodium–Cerium Terephthalate156
Ultrasound Plus Vacuum-System-Assisted Biocatalytic Synthesis of Octyl Cinnamate and Response Surface Methodology Optimization156
Plumbagin Suppresses Breast Cancer Progression by Downregulating HIF-1α Expression via a PI3K/Akt/mTOR Independent Pathway under Hypoxic Condition154
A Green Bridge: Enhancing a Multi-Pesticide Test for Food by Phase-Transfer Sample Treatment Coupled with LC/MS154
Sevoflurane and Desflurane Spin–Decoherence Effect on Fe(III)acetylacetonate Redox Process154
Purification of Lepidilines A, B, C, and D from Lepidium meyenii Walpers by Centrifugal Partition Chromatography Followed by Semi-Preparative HPLC and Preliminary Evaluation of Anticancer Activity Aga154
The Development of Tungsten Biochemistry—A Personal Recollection154
Cytotoxic Cytochalasans from Sponge-Derived Aspergillus sp. SCSIO 41044152
Prediction of Gadolinium Polynitrides at High Pressures as High-Energy-Density Materials152
Potent Antifungal Functions of a Living Modified Organism Protein, CP4-EPSPS, against Pathogenic Fungal Cells151
Gardeniae Fructus Enhances Skin Barrier Function via AHR-Mediated FLG/LOR/IVL Expression151
Determination of Plasmalogen Molecular Species in Hen Eggs150
Superior Oxidase-Mimetic Activity of Co-MOF Nanozyme for Smartphone-Based Visually Colorimetric Assay of Mancozeb149
Removal of Azo Dyes from Water Using Natural Luffa cylindrica as a Non-Conventional Adsorbent149
Spin-Dependent First-Principles Study on Optoelectronic Properties of Neodymium Zirconates Pyrochlores Nd2Zr2O7 in Fd-3m and Pmma Phases149
Suppressed Ion Migration by Heterojunction Layer for Stable Wide-Bandgap Perovskite and Tandem Photovoltaics148
Synthesis and Performance of Deep-Red Phosphorescent Iridium Complexes with Pyrone as an Auxiliary Ligand148
Collection of Hairy Roots as a Basis for Fundamental and Applied Research148
Isolation, Molecular Identification and Amino Acid Profiling of Single-Cell-Protein-Producing Phototrophic Bacteria Isolated from Oil-Contaminated Soil Samples147
Supramolecular Design Strategy of a Water-Soluble Diphenylguanidine-Cyclodextrin Polymer Inclusion Complex147
Interleaved Electroactive Molecules into LDH Working on Both Electrodes of an Aqueous Battery-Type Device147
Designing Inorganic–Organic Dual-Acid Deep Eutectic Solvents for Synergistically Enhanced Extractive and Oxidative Desulfurization145
Study of the Sensing Kinetics of G Protein-Coupled Estrogen Receptor Sensors for Common Estrogens and Estrogen Analogs145
Low-Processed Extracts from Peppermint Leaves (Mentha × piperita L.) as a Source of Polyphenols and Essential Oils: Evaluation of Green Solvents and Valorization of Post-Extraction Plant Material145
Advancing Brain Health Naturally: β-Caryophyllene and Xanthohumol as Neuroprotective Agents144
Efficient and Controllable Synthesis of 1-Aminoanthraquinone via High-Temperature Ammonolysis Using Continuous-Flow Method143
A Combined Solution and Solid-State Study on the Tautomerism of an Azocalix[4]arene Chromoionophore141
Pharmacochemical Studies of Synthesized Coumarin–Isoxazole–Pyridine Hybrids140
Low-Valent-Tungsten-Catalyzed Aerobic Oxidative Cross-Dehydrogenative Coupling Reaction139
Visual Tracking of Hydrogen Sulfide: Application of a Novel Lysosome-Targeted Fluorescent Probe for Bioimaging and Food Safety Assessment137
Potential Anticancer Activity of Juniperus procera and Molecular Docking Models of Active Proteins in Cancer Cells136
Wheat Oxylipins in Response to Aphids, CO2 and Nitrogen Regimes136
Study of the Chemical Recovery and Selectivity against U in the Radiochemical Separation of Th with Tri-n-butyl Phosphate by Varying the Proportion of Xylene and HCl Concentration135
Evaluation of Nitric Oxide-Donating Properties of 11H-indeno[1,2-b]quinoxalin-11-one Oxime (IQ-1) by Electron Paramagnetic Resonance Spectroscopy135
Preparation and Whitening Activity of Sialoglycopeptide of Chalaza from Liquid Egg Process135
Thermodynamics and Spectroscopy of Halogen- and Hydrogen-Bonded Complexes of Haloforms with Aromatic and Aliphatic Amines134
Smart Delayed Fluorescent AIEgens for Organic Light-Emitting Diodes: Mechanism and Adjustable Performance134
Application of High-Resolution Infrared Thermography to Study the Effects of Technologically Processed Antibodies on the Near-Surface Layer of Aqueous Solutions132
Broadening of the ν2 Raman Band of CH4 by C3H8 and C4H10131
Optimization of Supplemental LED Spectral Quality and Light Dose for Enhancing Biomass and Essential Oil Yield of Ocimum gratissimum L. Under Net House Condition131
Correction: Pan et al. Lignin-Derived Activated Carbon as Electrode Material for High-Performance Supercapacitor. Molecules 2025, 30, 89130
Scaffold Simplification Yields Potent Antibacterial Agents That Target Bacterial Topoisomerases130
Correction: Han et al. Study on the Joint Toxicity of BPZ, BPS, BPC and BPF to Zebrafish. Molecules 2021, 26, 4180130
An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Analysis of the Anomeric Effect130
Low-Cost Honeycomb Biomass Adsorbent for Efficient Pt Recovery from Automobile Catalyst Waste130
Theoretical Prediction of Divalent Actinide Borozene Complexes129
Efficient Functionalization of Organosulfones via Photoredox Catalysis: Direct Incorporation of α-Carbonyl Alkyl Side Chains into α-Allyl-β-Ketosulfones129
Testing the Capability of Embedding-Based Alignments on the GST Superfamily Classification: The Role of Protein Length129
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