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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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Health Benefits and Applications of Bioactive Phenolic Compounds submission deadline 15 Oct 2025 | 4 articles | Viewed by 14394 | 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)
Advances in Chemistry of Cosmetics
edited by
submission deadline 15 Oct 2025 | 6 articles | Viewed by 11311 | 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)
The Preparations and Applications of Organophosphorus Compounds
edited by K. Michał Pietrusiewicz and
submission deadline 15 Oct 2025 | 4 articles | Viewed by 5300 | 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 | 4 articles | Viewed by 5292 | 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)
Advancements in Desulfurization Catalysts: Enhancing Efficiency Through Nanostructured Materials
edited by Wei Jiang, and Suhang Xun
submission deadline 30 Oct 2025 | Viewed by 288 | 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 170 | 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)
Antioxidant Discovery: Computational Modeling, Molecular Mechanisms and Therapeutic Applications submission deadline 30 Oct 2025 | Viewed by 167 | Submission Open
Keywords: antioxidants; computational design; neuroprotection; therapeutic applications; thermochemistry and kinetics; theoretical study
(This special issue belongs to the Section Medicinal Chemistry)
Doping Strategies for Carbon-Based Electrocatalysts
edited by
submission deadline 30 Oct 2025 | Viewed by 151 | 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)
Extraction, Characterization, and Potential Applications of Bioactive Molecules from Natural Sources, 4th Edition submission deadline 31 Oct 2025 | 17 articles | Viewed by 48992 | 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)
Flavonoids’ and Other Polyphenols’ Pharmacological Activities for Phytopharmaceutical and Medicinal Applications, 2nd Edition submission deadline 31 Oct 2025 | 7 articles | Viewed by 29364 | 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)
Novel Biochemical Processes for Treatment and Valorization of Wastes and Biomass submission deadline 31 Oct 2025 | 11 articles | Viewed by 27386 | Submission Open
Keywords: waste/biomass; valorization; biochemical processing; feedstocks; biocatalysts; life cycle analysis; biochemical approach
(This special issue belongs to the Section Green Chemistry)
Exclusive Papers Collection of Editorial Board Members and Invited Scholars on Food Chemistry submission deadline 31 Oct 2025 | 8 articles | Viewed by 17867 | Submission Open
Keywords: functional food; ingredients; bioactivity; antioxidants; food and health; food processing
(This special issue belongs to the Section Food Chemistry)
2D Nanomaterials and Composites for Energy and Environmental Sustainability—2nd Edition submission deadline 31 Oct 2025 | 8 articles | Viewed by 16885 | Submission Open
Keywords: film processes; flexible substrates; carbon capture and conversion; nano-electronics and devices; ink-jet printing; nanostructured permanent magnets; carbon-based nanomaterials; membrane separation; solar cells; photonic materials; OLED; polymer-based nanocomposites; gas capture; H2 storage and conversion
(This special issue belongs to the Section Nanochemistry)
Microbial Natural Products: A Promising Source for Medical Application (2nd Edition) submission deadline 31 Oct 2025 | 5 articles | Viewed by 16840 | 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)
Recent Advances in Exploiting Ionic Liquids for Biocatalytic and Pharmaceutical Application
edited by and
submission deadline 31 Oct 2025 | 6 articles | Viewed by 16732 | 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)
Advances in Biomass Chemicals: Transformation and Valorization
edited by Marlene Lopes
submission deadline 31 Oct 2025 | 8 articles | Viewed by 13583 | Submission Open
Keywords: lignocellulosic biomass; agro-industrial by-products; biofuels; biochemicals; biorefinery; pretreatments; hydrolysis
(This special issue belongs to the Section Green Chemistry)
Development of Food Packaging Materials submission deadline 31 Oct 2025 | 6 articles | Viewed by 13152 | Submission Open
Keywords: plastics; glass; metals; paper/paperboard; biodegradable materials; recyclable materials; active and Intelligent materials; nanomaterials in packaging
(This special issue belongs to the Section Food Chemistry)
Chemical Composition and Anti-Inflammatory Activity of Essential Oils
edited by
submission deadline 31 Oct 2025 | 6 articles | Viewed by 12958 | Submission Open
Keywords: essential oils; anti-inflammatory activity; chemo-prevention; natural products; inflammation cascade
(This special issue belongs to the Section Natural Products Chemistry)
New Trends of Nuclear Magnetic Resonance Spectroscopy (NMR) in Chemical and Biomolecular Studies
edited by
submission deadline 31 Oct 2025 | 7 articles | Viewed by 11373 | Submission Open
Keywords: NMR spectroscopy; metabolomics; pharmaceutical studies; solid-state NMR; 19F NMR spectroscopy; peptide; IDP proteins
(This special issue belongs to the Section Analytical Chemistry)
Computational Approaches in Antimicrobial and Antiviral Drug Discovery: Deciphering Drug Binding and Molecular Mechanisms
edited by , and Simone La Frazia
submission deadline 31 Oct 2025 | 6 articles | Viewed by 10741 | Submission Open
Keywords: molecular docking; virtual screening; molecular dynamics simulations; artificial intelligence; antimicrobial or antiviral activity; computational drug discovery; molecular mechanisms; experimental assays
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Bioactive Compounds from Roots, Stems, Leaves, Flowers, Fruits, and Seeds: 2nd Edition submission deadline 31 Oct 2025 | 7 articles | Viewed by 9528 | Submission Open
Keywords: bioactive compounds; roots; stems; leaves; flowers; fruits; and seeds; natural products; natural medicine; medicinal plants
(This special issue belongs to the Section Natural Products Chemistry)
Advanced Functional Nanomaterials for Energy Conversion and Storage
edited by Xiaohui Sun and Yongxiao Tuo
submission deadline 31 Oct 2025 | 5 articles | Viewed by 9396 | Submission Open
Keywords: nanomaterials synthesis; characterization; catalysis; battery; energy storage
(This special issue belongs to the Section Nanochemistry)
Advances in Coordination Chemistry, 3rd Edition
edited by Juan Niclós-Gutiérrez and
submission deadline 31 Oct 2025 | 5 articles | Viewed by 9215 | 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)
Fundamental Aspects of Chemical Bonding—2nd Edition
edited by
submission deadline 31 Oct 2025 | 7 articles | Viewed by 9179 | 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)
Advances in the Formulation of Nanocarriers for Healthcare and Environmental Applications submission deadline 31 Oct 2025 | 5 articles | Viewed by 7962 | Submission Open
Keywords: drug delivery systems; nanomedicines; nanotechnologies in agrifood and livestock fields; nanocarriers for target-specific pollutant capture; sustainable nanocarriers for environmental management and remediation
(This special issue belongs to the Section Nanochemistry)
Natural Medicines: Chemical Constituents and Pharmacological Activities: 2nd Edition
edited by
submission deadline 31 Oct 2025 | 3 articles | Viewed by 7277 | Submission Open
Keywords: plant extract; natural products; pharmacology; analysis
(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 | 6 articles | Viewed by 6978 | 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)
Microwave and Ultrasound-Assisted Extraction for Plant Bioactive Compounds submission deadline 31 Oct 2025 | 6 articles | Viewed by 6544 | Submission Open
Keywords: microwave-assisted extraction; ultrasound-assisted extraction; plant bioactive compounds; polyphenols; pigments; volatiles; antioxidants
(This special issue belongs to the Section Natural Products Chemistry)
Innovative Anticancer Compounds and Therapeutic Strategies
edited by and Beata Marciniak
submission deadline 31 Oct 2025 | 4 articles | Viewed by 6393 | Submission Open
Keywords: chemical biology; cancer therapeutics; natural compounds; small molecule drug discovery; targeted therapy; high-throughput screening; structure-based drug design; translational research
(This special issue belongs to the Section Medicinal Chemistry)
Novel Synthetic Macrocycles: Synthesis, Structures, Properties and Applications
edited by
submission deadline 31 Oct 2025 | 3 articles | Viewed by 6205 | Submission Open
Keywords: macrocycles; supramolecular chemistry; host– guest chemistry; synthesis; applications
(This special issue belongs to the Section Macromolecular Chemistry)
Micro/Nano-Materials for Anti-Icing and/or De-Icing Applications
edited by
submission deadline 31 Oct 2025 | 4 articles | Viewed by 5623 | Submission Open
Keywords: anti-icing; de-icing; micro/nano-materials; micro/nano-structures; composite materials
(This special issue belongs to the Section Materials Chemistry)
Insights on Inorganic/Organic Composites Containing Natural Bioactive Molecules
edited by
submission deadline 31 Oct 2025 | 2 articles | Viewed by 5569 | 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)
Biologically Active Molecules: Extraction Strategies, Therapeutic Potential and Biomedical Perspective
edited by
submission deadline 31 Oct 2025 | 4 articles | Viewed by 5459 | Submission Open
Keywords: natural bioactive components; extraction techniques; therapeutic and biomedical profiling
(This special issue belongs to the Section Medicinal 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 | 2 articles | Viewed by 4605 | Submission Open
Keywords: green solvents; NaDES; extraction; valorization; bioactive phytochemical compounds
(This special issue belongs to the Section Green Chemistry)
Advanced Functional Nanomaterials in Medicine and Health Care
edited by Dorota Katarzyna Flak, Tomasz Zalewski, and Łucja Przysiecka
submission deadline 31 Oct 2025 | 2 articles | Viewed by 4045 | Submission Open
Keywords: drug and nucleic acid delivery; imaging/contrast agent delivery; theranostic nanoparticles; nanovaccines; personalised medicine; targeted therapy; nanobiotechnology; nanodevice; regenerative medicine; biosafety/biocompatibility of nanomaterials; stability of nanomaterials in biological fluids; nanotoxicology; pharmacokinetics and pharmacodynamics; nanoinformatics and nanomodelling
(This special issue belongs to the Section Medicinal Chemistry)
Physicochemical Properties of Innovative Food Products During Processing submission deadline 31 Oct 2025 | 3 articles | Viewed by 3806 | Submission Open
Keywords: physicochemical properties; innovative foods; food processing; quality and stability; functional foods; safety and shelf life; sensory analysis; texture and rheology; bioactive compounds; emerging food technologies; food sustainability; design of food structures
(This special issue belongs to the Section Food Chemistry)
Recent Advances in Transition Metal Catalysis, 2nd Edition
edited by Dingyi Wang
submission deadline 31 Oct 2025 | 3 articles | Viewed by 3386 | 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)
Aromatic Heterocyclic Compounds: Synthesis, Reactivity and Applications
edited by
submission deadline 31 Oct 2025 | 2 articles | Viewed by 3267 | Submission Open
Keywords: aromatic heterocycles with one heteroatom; aromatic heterocycles with two or more heteroatoms; condensed compounds containing an aromatic heterocycle; direct synthesis; synthesis using electrophilic or nucleophilic reactions; metalation and reactivity; applications of aromatic heterocyclic compounds
(This special issue belongs to the Section Organic Chemistry)
Synthesis and Biological Evaluation of Coordination Compounds
edited by , Francisco Ferreira De Sousa and
submission deadline 31 Oct 2025 | 3 articles | Viewed by 3234 | Submission Open
Keywords: synthetic chemistry; coordination chemistry; biological activity; complexes; drug design; molecular targeting; metal– ligand interactions
(This special issue belongs to the Section Inorganic Chemistry)
Lignin: New Insights in Chemistry
edited by
submission deadline 31 Oct 2025 | 1 articles | Viewed by 3061 | Submission Open
Keywords: lignin valorization; catalytic depolymerization; enzymatic lignin transformation; thermochemical processes; lignin-derived fine chemicals; synthetic biology in lignin research; circular bioeconomy
(This special issue belongs to the Section Green Chemistry)
Catalytic Materials for Energy and Environment: Preparation, Properties and Applications
edited by and Yanfei Xu
submission deadline 31 Oct 2025 | 1 articles | Viewed by 3058 | 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)
Mesoporous Silica and Related Nanomaterials: Synthesis, Characterization and Applications in Drug Delivery Systems and Green Chemistry submission deadline 31 Oct 2025 | 2 articles | Viewed by 2967 | 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)
Phytochemicals and Bioactivity: Advances in Natural Product Chemistry and Applications
edited by , Claudio Olea-Azar and
submission deadline 31 Oct 2025 | 2 articles | Viewed by 2912 | Submission Open
Keywords: phytochemicals; biological activity; natural products; phytochemical analysis; bioactive compounds; natural product chemistry; plant-based therapeutics; isolation and characterization
(This special issue belongs to the Section Natural Products Chemistry)
Enantioselective Synthesis, Enantiomeric Separations and Chiral Recognition: 3rd Edition submission deadline 31 Oct 2025 | 3 articles | Viewed by 2660 | Submission Open
Keywords: enantioselective synthesis; enantioseparation; chiral analyses; chiral recognition; chiral sensors
Essential Oils: Chemical Composition, Bioactive, and Application
edited by and Nai-Wen Tsao
submission deadline 31 Oct 2025 | 2 articles | Viewed by 2508 | Submission Open
Keywords: essential oils; chemical constituents; biological activities; extraction methods; analytical chemistry; therapeutic effects; antimicrobial activity; drug delivery
(This special issue belongs to the Section Natural Products Chemistry)
Processing of Materials by Supercritical Fluids, 3rd Edition
edited by
submission deadline 31 Oct 2025 | 1 articles | Viewed by 2381 | Submission Open
Keywords: supercritical fluids; materials; aerogels; particles; membranes; fibers; scaffolds
(This special issue belongs to the Section Green Chemistry)
Feature Papers in Applied Chemistry: 4th Edition
edited by
submission deadline 31 Oct 2025 | 2 articles | Viewed by 2352 | Submission Open
Keywords: applied chemistry; new molecules/materials; analytical methods and techniques; electrochemistry and catalysis; new materials and medicines
(This special issue belongs to the Section Applied Chemistry)
Modern Materials in Energy Storage and Conversion—Second Edition
edited by Yuanyuan Zhu, and
submission deadline 31 Oct 2025 | 2 articles | Viewed by 2242 | Submission Open
Keywords: modern materials; batteries; supercapacitors; solar cells; catalysis
(This special issue belongs to the Section Materials Chemistry)
Innovative Approaches to Sustainable Wastewater Treatment—Recent Developments in Hazardous Pollutants Removal submission deadline 31 Oct 2025 | 3 articles | Viewed by 2111 | Submission Open
Keywords: wastewater treatment; industrial wastewater; physical methods; chemical methods; biological methods; emerging micropollution; dyes; heavy metals; removal; (bio)sorbent; ion exchange resin
(This special issue belongs to the Section Green Chemistry)
Novel Heterocyclic Compounds: Synthesis and Applications
edited by and José Luis Viveros-Ceballos
submission deadline 31 Oct 2025 | 1 articles | Viewed by 2064 | Submission Open
Keywords: heterocyclic compounds; synthetic methodologies; medicinal chemistry; bioactive molecules; pharmaceutical applications; catalysis in heterocycle synthesis; green chemistry approaches; structure– activity relationships (SARs); organic synthesis; agrochemical applications
(This special issue belongs to the Section Organic Chemistry)
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