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Molecules publishes Special Issues to create collections of papers on specific topics, with the aim of building a community of authors and readers to discuss the latest research and develop new ideas and research directions. Special Issues are led by Guest Editors, who are experts on the topic and all Special Issue submissions follow MDPI's standard editorial process. The journal’s Editor-in-Chief and/or designated Editorial Board Member will oversee Guest Editor appointments and Special Issue proposals, checking their content for relevance and ensuring the suitability of the material for the journal. The papers published in a Special Issue will be collected and displayed on a dedicated page of the journal’s website. Further information on MDPI's Special Issue policies and Guest Editor responsibilities can be found here. For any inquiries related to a Special Issue, please contact the Editorial Office.

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The Design, Synthesis, and Biological Activity of New Drug Candidates, 2nd Edition
edited by Carolina S. Marques, and
submission deadline 30 Sep 2025 | Viewed by 69 | Submission Open
Keywords: bioactive; in silico; in vitro; in vivo; ADMET; synthesis; privilege scaffold; active pharmaceutical ingredients
(This special issue belongs to the Section Medicinal Chemistry)
Advances in Electrode Preparation and Interphase with Electrolytes in Energy Storage Devices
edited by
submission deadline 30 Sep 2025 | Viewed by 63 | Submission Open
Keywords: rechargeable batteries; lithium batteries; electrode and electrolyte interphase; electrode preparation; interphase design
(This special issue belongs to the Section Electrochemistry)
Visible Light Active Photocatalysts for Organic Synthesis
edited by Wentao Xu
submission deadline 30 Sep 2025 | Viewed by 54 | Submission Open
Keywords: organic chemistry; photocatalyst; synthesis; radical; single-electron transfer; atom transfer; energy transfer
(This special issue belongs to the Section Organic Chemistry)
Advanced Chemical Innovations for Sustainable Water and Wastewater Treatment
edited by Mohammed J.K. Bashir
submission deadline 30 Sep 2025 | Viewed by 54 | Submission Open
Keywords: advanced oxidation processes; catalytic degradation; nanomaterials; green chemistry; pollutant mineralization; ionic liquid applications; smart adsorbents
(This special issue belongs to the Section Applied Chemistry)
Trends of Drug Synthesis in Medicinal Chemistry
edited by
submission deadline 30 Sep 2025 | Viewed by 42 | Submission Open
Keywords: drug synthesis; anticancer agents; antimicrobial resistance; green chemistry; AI-driven design; targeted delivery systems; continuous-flow technology; structure– activity optimization; multidisciplinary collaboration
(This special issue belongs to the Section Medicinal Chemistry)
N,O,S-Donor Ligands and Metal Complexes: From Structural Characterization to Biological and Catalytic Applications submission deadline 30 Sep 2025 | Viewed by 41 | Submission Open
Keywords: N; O; S-donor ligands; metal complexes; catalysis; coordination chemistry; biomimetics; structural characterization; spectroscopy; DFT; theoretical modeling; biomedical applications; industrial processes
(This special issue belongs to the Section Applied Chemistry)
Natural Products Chemistry in Asia
edited by and
submission deadline 30 Sep 2025 | Viewed by 33 | Submission Open
Keywords: isolation protocol; structure elucidation; synthesis; biosynthesis; bioactivity; chemical ecology
(This special issue belongs to the Section Natural Products Chemistry)
Multifunctional Natural Ingredients in Skin Protection and Care, 2nd Edition submission deadline 30 Sep 2025 | Viewed by 30 | Submission Open
Keywords: plant extracts; natural compounds; biological activity; cosmetics; antioxidant; anti-aging; skin lightening; UV-protection
(This special issue belongs to the Section Natural Products Chemistry)
Chemistry and Applications of Compounds Containing Quinoline or Isoquinoline Structure submission deadline 30 Sep 2025 | Viewed by 28 | Submission Open
Keywords: quinoline; isoquinoline; synthesis; molecular structure; alkaloids; fluorescence; green chemistry; crystal structure; structure– activity relationship; antitumor agents
(This special issue belongs to the Section Organic Chemistry)
Computational Chemical Biology: Recent Advances and Future Trends submission deadline 30 Sep 2025 | Viewed by 25 | Submission Open
Keywords: machine learning/deep learning in drug discovery; multi-scale simulations and MD and QM/MM simulations; biomolecular conformational changes and allostery; systems and network pharmacology; chemical library screening and cheminformatics; bioinformatics integration and big data in drug discovery; ADMET prediction and drug repurposing; target prediction/validation and hit-to-lead optimization
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Advances in Material Chemistry for Sustainable Energy Storage: Innovations, Challenges, and Future Directions
edited by and Peng Liu
submission deadline 30 Sep 2025 | Viewed by 25 | Submission Open
Keywords: phase change thermal energy storage material; energy storage hydrogel materials; materials for photocatalytic hydrogen production; thermochemical heat storage materials; electrochemical energy storage material
(This special issue belongs to the Section Materials Chemistry)
Nanomaterials and Nanocomposites: Synthesis, Characterization and Applications in Environmental and Biomedical Sciences submission deadline 30 Sep 2025 | Viewed by 25 | Submission Open
Keywords: nanomaterials; diagnostics; therapy; anticancer; antimicrobial; adsorption; photocatalysis; sensor
(This special issue belongs to the Section Nanochemistry)
Complexes as Tool for Design and Synthesis of Species with Biological Application
edited by
submission deadline 30 Sep 2025 | Viewed by 25 | Submission Open
Keywords: metal complex; resistance; biofilm; antitumor; carrier; target biomolecule; drug design; hybrid material
(This special issue belongs to the Section Medicinal Chemistry)
Organic Semiconducting Materials Design in the Functional Organic Transistors
edited by Wan Yue and Shengyu Cong
submission deadline 30 Sep 2025 | Viewed by 23 | Submission Open
Keywords: organic field-effect transistors; organic electrochemical transistors (OECTs); organic electrochemical neuronal synapse (OENS); small molecules; conjugated polymers
(This special issue belongs to the Section Materials Chemistry)
Phytochemistry, Antioxidants, and Anti-Diabetes
edited by , Gordana Rusak and
submission deadline 1 Oct 2025 | 1 articles | Viewed by 1742 | Submission Open
Keywords: bioactive compounds; natural antioxidants; plant extracts; functional foods; nutraceuticals; diabetes
(This special issue belongs to the Section Natural Products Chemistry)
Bioactive Metabolites from Marine Invertebrates and Their Associated Microorganisms—in Celebration of Professors Longmei Zeng and Jingyu Su’s 95th Birthday
edited by , and Shihai Xu
submission deadline 1 Oct 2025 | 1 articles | Viewed by 532 | Submission Open
Keywords: marine organisms; bioactive metabolites; marine invertebrates and their associated microorganisms
(This special issue belongs to the Section Natural Products Chemistry)
Materials Investigation Through Vibrational Spectroscopy/Microscopy
edited by Dimitrios Palles
submission deadline 1 Oct 2025 | Viewed by 156 | Submission Open
Keywords: Raman (micro)spectroscopy; infrared (micro)spectroscopy; surface-enhanced Raman spectroscopy; surface-enhanced infrared spectroscopy; transmission Raman spectroscopy; photothermal infrared spectroscopy; material structure/bonding– function correlations with vibrational properties
(This special issue belongs to the Section Materials Chemistry)
Advances in Chemistry of Cosmetics
edited by
submission deadline 15 Oct 2025 | 5 articles | Viewed by 5849 | Submission Open
Keywords: melanocytes (melanogenesis); fibroblasts (anti-wrinkles); papilla (hair growth); keratinocytes (skin health); macrophages (inflammation); adipocytes (obesity); natural products; organic synthesis; enzyme inhibitors; molecular docking
(This special issue belongs to the Section Medicinal Chemistry)
Health Benefits and Applications of Bioactive Phenolic Compounds submission deadline 15 Oct 2025 | 1 articles | Viewed by 3741 | Submission Open
Keywords: natural bioactive compounds; health benefits; bioactive properties; extraction methodologies; in vitro and in vivo studies; potential applications
(This special issue belongs to the Section Natural Products Chemistry)
New Horizons in Deep Eutectic Solvents (DESs): Synthesis, Characterization and Applications submission deadline 15 Oct 2025 | 2 articles | Viewed by 1444 | Submission Open
Keywords: deep eutectic solvent; methods of synthesis; physicochemical and thermal properties; extraction and separation; catalysis; pharmaceuticals; energy storage
(This special issue belongs to the Section Molecular Liquids)
The Preparations and Applications of Organophosphorus Compounds
edited by K. Michał Pietrusiewicz and
submission deadline 15 Oct 2025 | 1 articles | Viewed by 1323 | Submission Open
Keywords: organophosphorus chemistry; organophosphorus compounds; phosphorus-containing heterocycles; reactivity of organophosphorus compounds; phosphorus-based organocatalysis; phosphorus-containing drugs; structure elucidation of organophosphorus compounds
(This special issue belongs to the Section Organic Chemistry)
Emerging Multifunctional Materials for Next-Generation Energy Systems
edited by and Shicong Yang
submission deadline 30 Oct 2025 | 2 articles | Viewed by 2054 | Submission Open
Keywords: multifunctional material; self-healing material; smart materials; hybrid material; solar-grade silicon purification; energy conversion and storage
(This special issue belongs to the Section Materials Chemistry)
Modern Trends and Solutions in Analytical Chemistry in Poland
edited by
submission deadline 30 Oct 2025 | 1 articles | Viewed by 636 | Submission Open
Keywords: analytical and physical chemistry; separation sciences; chromatographic methods and related techniques (HPLC; SPE; SFC; GC; CZE; UPLC; GC × GC; and others); sample preparation and extraction techniques (SPE; QuEChERS/d-SPE; SPME; SBSE; HFLPME; DLLME; FUSLE; and others); detection techniques (DAD; FLD; MS; MS/MS; and others); spectrometry; bioanalytics; proteomics; metabolomics; and lipidomics; nanotechnology; environmental sciences; natural product chemistry (isolation; identification and quantification of bioactive compounds; and in vitro and then in vivo investigations on their biological activity); food analysis and food safety; xenobiotics analysis in environmental; biological; and food samples; chemometrics and statistical analysis
(This special issue belongs to the Section Analytical Chemistry)
Advancements in Desulfurization Catalysts: Enhancing Efficiency Through Nanostructured Materials
edited by Wei Jiang, and Suhang Xun
submission deadline 30 Oct 2025 | Viewed by 179 | Submission Open
Keywords: oxidative desulfurization; hydrodesulfurization; adsorption desulfurization; nanostructure; heterogeneous catalysis; homogeneous catalysis
(This special issue belongs to the Section Materials Chemistry)
The Role of Transition Metal Compounds in Energy Conversion
edited by , and
submission deadline 30 Oct 2025 | Viewed by 88 | Submission Open
Keywords: carrier density; electrode materials; energy conversion and storage; layered transition metal dichalcogenides; porous materials; MXene; fuel cells; batteries; supercapacitors; hydrogen production; energy storage and distribution; CO2 reduction
(This special issue belongs to the Section Electrochemistry)
Doping Strategies for Carbon-Based Electrocatalysts
edited by
submission deadline 30 Oct 2025 | Viewed by 54 | Submission Open
Keywords: carbons; p-doping; n-doping; Fermi level engineering; electrocatalysis; electrochemical sensors; energy conversion and storage; environmental remediation
(This special issue belongs to the Section Electrochemistry)
Antioxidant Discovery: Computational Modeling, Molecular Mechanisms and Therapeutic Applications submission deadline 30 Oct 2025 | Viewed by 28 | Submission Open
Keywords: antioxidants; computational design; neuroprotection; therapeutic applications; thermochemistry and kinetics; theoretical study
(This special issue belongs to the Section Medicinal Chemistry)
Flavonoids’ and Other Polyphenols’ Pharmacological Activities for Phytopharmaceutical and Medicinal Applications, 2nd Edition submission deadline 31 Oct 2025 | 6 articles | Viewed by 19813 | Submission Open
Keywords: natural plant products; flavonoids; polyphenols; medicinal plants; traditional medicines; biological activity; pharmacological activity; phytopharmaceutical and medicinal applications
(This special issue belongs to the Section Natural Products Chemistry)
Extraction, Characterization, and Potential Applications of Bioactive Molecules from Natural Sources, 4th Edition submission deadline 31 Oct 2025 | 12 articles | Viewed by 15005 | Submission Open
Keywords: sustainable extraction; waste valorization; medicinal plants; antioxidant; naturally derived active ingredients; bioactive compounds from microorganisms; antimicrobials; anticancer
(This special issue belongs to the Section Natural Products Chemistry)
Recent Advances in Exploiting Ionic Liquids for Biocatalytic and Pharmaceutical Application submission deadline 31 Oct 2025 | 6 articles | Viewed by 13591 | Submission Open
Keywords: ionic liquids; nanomaterials; emulsions; biological activity; biocatalysis; active pharmaceutical ingredients; drug delivery; mechanism of action; toxicity; pharmaceuticals; enzymes
(This special issue belongs to the Section Molecular Liquids)
Microbial Natural Products: A Promising Source for Medical Application (2nd Edition) submission deadline 31 Oct 2025 | 5 articles | Viewed by 10875 | Submission Open
Keywords: microorganisms; primary and secondary metabolites; antimicrobial and anticancer agents; neuroprotective agents; gut microbiota compounds; food supplements; functional food; medicines
(This special issue belongs to the Section Natural Products Chemistry)
Fundamental Aspects of Chemical Bonding—2nd Edition
edited by
submission deadline 31 Oct 2025 | 6 articles | Viewed by 4984 | Submission Open
Keywords: chemical bonding; bonding analysis; calculations; interactions; MO analysis; VB analysis; electron localization function (ELF); quantum theory of atoms in molecules (QTAIM)
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Insights on Inorganic/Organic Composites Containing Natural Bioactive Molecules
edited by
submission deadline 31 Oct 2025 | 2 articles | Viewed by 4483 | Submission Open
Keywords: hybrid material; composite; natural compound; clay; drug delivery system; solid phase adsorption; bioactivity
(This special issue belongs to the Section Natural Products Chemistry)
New Research on Novel Photo-/Electrochemical Materials
edited by and
submission deadline 31 Oct 2025 | 4 articles | Viewed by 3861 | Submission Open
Keywords: photo-/electrochemistry; water splitting; fuel cell; zinc air battery; nitrogen reduction reaction; CO2 reduction reaction; photocatalytic degradation; gas sensor
(This special issue belongs to the Section Materials Chemistry)
Natural Medicines: Chemical Constituents and Pharmacological Activities: 2nd Edition
edited by
submission deadline 31 Oct 2025 | 2 articles | Viewed by 3401 | Submission Open
Keywords: plant extract; natural products; pharmacology; analysis
(This special issue belongs to the Section Natural Products Chemistry)
Natural Deep Eutectic Solvents and Other Green Solvents: The New Lights for Extraction and Valorization of Bioactive Phytochemical Compounds submission deadline 31 Oct 2025 | 1 articles | Viewed by 2812 | Submission Open
Keywords: green solvents; NaDES; extraction; valorization; bioactive phytochemical compounds
(This special issue belongs to the Section Green Chemistry)
Mesoporous Silica and Related Nanomaterials: Synthesis, Characterization and Applications in Drug Delivery Systems and Green Chemistry
edited by
submission deadline 31 Oct 2025 | 1 articles | Viewed by 1886 | Submission Open
Keywords: mesoporous materials; drug delivery; encapsulation; nanoconfinement; adsorption; green chemistry; catalysts immobilization; catalyst recovery; pollutant reduction; renewable materials
(This special issue belongs to the Section Materials Chemistry)
Processing of Materials by Supercritical Fluids, 3rd Edition
edited by
submission deadline 31 Oct 2025 | 1 articles | Viewed by 1633 | Submission Open
Keywords: supercritical fluids; materials; aerogels; particles; membranes; fibers; scaffolds
(This special issue belongs to the Section Green Chemistry)
Recent Advances in Transition Metal Catalysis, 2nd Edition
edited by Dingyi Wang
submission deadline 31 Oct 2025 | 2 articles | Viewed by 1591 | Submission Open
Keywords: transition metal catalysis; photocatalysis; electrosynthesis; organic synthesis; asymmetric synthesis; C-H functionalization; C-C functionalization; C-X functionalization
(This special issue belongs to the Section Organic Chemistry)
Advances in Coordination Chemistry, 3rd Edition
edited by Juan Niclós-Gutiérrez and
submission deadline 31 Oct 2025 | 2 articles | Viewed by 1287 | Submission Open
Keywords: synthesis strategies for novel coordination compounds; coordination compounds with tailor-made ligands for specific applications; coordination compounds with multitopic ligands; single-crystal XRD structures and dimensionality of metal complexes; metal– organic frameworks and their applications; molecular recognition in mixed ligand– metal complexes at the molecular and/or supra-molecular levels; model metal complexes from the bioinorganic frontier of biological chemistry; DFT and other theoretical approaches for inter-ligand interactions in metal complexes
(This special issue belongs to the Section Inorganic Chemistry)
Recent Advances in Porous Materials, 2nd Edition
edited by
submission deadline 31 Oct 2025 | 3 articles | Viewed by 925 | Submission Open
Keywords: porous carbon; adsorption; catalysis; supercapacitor; biomass; energy storage; zeolite; fuel cell; molecular sieves; metal– organic frameworks; porous metal oxide; mesoporous silicon; macroporous resin; aerogel; separation; porous composites; covalent organic frameworks
(This special issue belongs to the Section Materials Chemistry)
Exploration and Characterization of Antioxidants from Marine Sources: Isolation, Analysis, and Applications
edited by
submission deadline 31 Oct 2025 | Viewed by 610 | Submission Open
Keywords: isolation and chemical characterization; structure– activity relationship; marine-derived antioxidants; oxidative stress; in vitro and in vivo models; antioxidant activity; photoprotective activity; antitumural activity; neuroprotection activity; bioavailability and bioaccessibility
(This special issue belongs to the Section Natural Products Chemistry)
Synthetic Studies Aimed at Heterocyclic Organic Compounds, 2nd Edition
edited by
submission deadline 31 Oct 2025 | 1 articles | Viewed by 602 | Submission Open
Keywords: heterocycles; synthesis; methods; medicinal; agricultural
(This special issue belongs to the Section Organic Chemistry)
Innovative Marine Molecules: Chemistry, Biology and Analysis (Volume II) submission deadline 31 Oct 2025 | Viewed by 601 | Submission Open
Keywords: food (product); marine molecules; chemical structure; isolation and purification; characterization; bioactivity; mechanism of action; analysis methods
(This special issue belongs to the Section Natural Products Chemistry)
Advance in Radiochemistry, 2nd Edition
edited by
submission deadline 31 Oct 2025 | 1 articles | Viewed by 393 | Submission Open
Keywords: radiochemistry; radionuclide (radioisotopes); radiolabeling; radiopharmaceutical (radiotracer); nuclear medicine; theranostics (diagnostics and therapeutics); molecular imaging
(This special issue belongs to the Section Medicinal Chemistry)
Therapeutic Candidates of Inflammation in Chemical Biology
edited by
submission deadline 31 Oct 2025 | Viewed by 368 | Submission Open
Keywords: inflammation; inflammatory-based diseases; immunity; oxidative stress; chemical biology
(This special issue belongs to the Section Chemical Biology)
Enantioselective Synthesis, Enantiomeric Separations and Chiral Recognition: 3rd Edition submission deadline 31 Oct 2025 | Viewed by 355 | Submission Open
Keywords: enantioselective synthesis; enantioseparation; chiral analyses; chiral recognition; chiral sensors
Supramolecular Host/Guest Compounds and Their Prospects for Multifunctional Materials
edited by Angela Danil De Namor and Nawal Al Hakawati
submission deadline 31 Oct 2025 | Viewed by 323 | Submission Open
Keywords: supramolecular chemistry; host-guest chemistry; macrocycles and cages; self-assembly; supramolecular materials
(This special issue belongs to the Section Macromolecular Chemistry)
Wine Electrochemistry: Science, Technology and Industry submission deadline 31 Oct 2025 | Viewed by 307 | Submission Open
Keywords: electrochemical sensors; biosensors; wine; ISFETS; CHEMFETs; electronic tongues; amperometric enzymatic biosensors; phenolic antioxidants electrochemistry; oxidation mechanisms of wines; flow-through electrochemistry; electrochemistry of wine wastewater
(This special issue belongs to the Section Electrochemistry)
Catalytic Materials for Energy and Environment: Preparation, Properties and Applications
edited by and Yanfei Xu
submission deadline 31 Oct 2025 | 1 articles | Viewed by 304 | Submission Open
Keywords: biomass conversion; CO2 hydrogenation; plastic degradation; alkane dehydrogenation; syngas conversion; methane reforming; catalysts for energy and environment; catalytic mechanism
(This special issue belongs to the Section Materials Chemistry)
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