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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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Discovery, Isolation, and Mechanisms of Bioactive Natural Products (2nd Edition)
edited by
submission deadline 31 Oct 2025 | Viewed by 27 | Submission Open
Keywords: natural products; bioactivities; structural elucidation; mechanisms
(This special issue belongs to the Section Natural Products Chemistry)
Next-Generation Catalytic Materials for Environmental Sustainability and Energy Efficiency
edited by
submission deadline 31 Oct 2025 | Viewed by 26 | Submission Open
Keywords: environmental catalysis; renewable energy; catalytic materials; photo(electro)catalysis; environmental Remediation; energy eaterials
(This special issue belongs to the Section Green Chemistry)
Aromatic Heterocyclic Compounds: Synthesis, Reactivity and Applications
edited by
submission deadline 31 Oct 2025 | Viewed by 26 | 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)
Plasmonic Metal Nanoparticles: From Synthesis to Major Applications
edited by
submission deadline 31 Oct 2025 | Viewed by 24 | Submission Open
Keywords: metal nanoparticles and nanoclusters; plasmonic metal nanoparticles; metal nanocomposites; shape-selected synthesis; size-selected synthesis; functional properties; high-resolution electron microscopy; surface plasmon resonance; interfacial properties; surface modification; catalysis; plasmonics; surface-enhanced Raman scattering; biomedical sensing; environmental sensing
(This special issue belongs to the Section Physical Chemistry)
Electrochemical Catalytic Conversion of Small Molecules submission deadline 31 Oct 2025 | Viewed by 23 | Submission Open
Keywords: electrocatalysis; small molecule conversion; single-atom catalysis; mechanism study; sustainable energy
(This special issue belongs to the Section Electrochemistry)
Advancements in Silicon-Based Materials: Synthesis, Properties and Applications submission deadline 31 Oct 2025 | Viewed by 21 | Submission Open
Keywords: silica synthesis: acidic and/or basic; sol-gel technique; synthesis of polymer/mesoporous silica nanocomposites; silica; characterization of silicate; citrus waste on silica; supports for catalysts; antimicrobial silica; circular economy
(This special issue belongs to the Section Materials Chemistry)
Advanced Functional Membrane Materials: Fabrication and Applications
edited by
submission deadline 31 Oct 2025 | Viewed by 20 | Submission Open
Keywords: functional membrane material; nanochemistry; polymeric synthesis; molecular design; synthesis method; material processing; catalysis and separation
(This special issue belongs to the Section Applied Chemistry)
Graphene and Graphene-Related Materials for Energy and Environment: Synthesis and Application submission deadline 31 Oct 2025 | Viewed by 20 | Submission Open
Keywords: graphene; graphene-related materials; energy applications; fuel cells; capacitors; photocatalysis; adsorption
(This special issue belongs to the Section Materials Chemistry)
Design, Preparation, and Application of Flexible Electrodes in Energy Storage
edited by and
submission deadline 31 Oct 2025 | Viewed by 18 | Submission Open
Keywords: flexible electrodes; energy storage; 2D nanomaterials; conductive polymers; photovoltaics cells; supercapacitors; lithium-ion batteries; scalable manufacturing
(This special issue belongs to the Section Materials Chemistry)
Nano and Micro Materials in Green Chemistry
edited by Ruijin Yu
submission deadline 31 Oct 2025 | Viewed by 17 | Submission Open
Keywords: green chemistry; biosynthesis and green synthesis; nanomaterials and micro-materials; biohybrid materials; nanostructured electrodes; chemical sustainability assessment
(This special issue belongs to the Section Materials Chemistry)
Advances in Metal/Oxide Interfacial Catalysts: Design, Properties, and Applications
edited by Mausumi Mahapatra
submission deadline 31 Oct 2025 | Viewed by 15 | Submission Open
Keywords: oxides; metal– oxide interface; catalysts; active sites; heterogeneous catalysis
(This special issue belongs to the Section Physical Chemistry)
Advanced Electrode Materials for Aqueous Batteries
edited by
submission deadline 31 Oct 2025 | Viewed by 14 | Submission Open
Keywords: aqueous batteries; electrode materials; energy storage; electrochemical stability; ion intercalation; nanostructured materials
(This special issue belongs to the Section Materials Chemistry)
Advanced Vibrational Spectroscopy
edited by Ke Lin
submission deadline 31 Oct 2025 | Viewed by 14 | Submission Open
Keywords: vibrational spectroscopy; molecular structure; molecular interaction; probe; excess spectroscopy; difference spectroscopy; ratio spectroscopy; multivariate curve resolution; two-dimensional correlation spectroscopy; Raman spectroscopy; infrared spectroscopy
(This special issue belongs to the Section Analytical Chemistry)
Redox-Active Molecules as Key Players for Inflammatory Diseases
edited by Ange Mouithys-Mickalad
submission deadline 31 Oct 2025 | Viewed by 11 | Submission Open
Keywords: redox-active Molecules; oxidative stress; inflammatory diseases; QSAR; computer-aided drug design; redox active natural compounds
(This special issue belongs to the Section Medicinal Chemistry)
Advanced Bioactive Nanoparticles for Precision Medicine
edited by and Erica Quagliarini
submission deadline 31 Oct 2025 | Viewed by 7 | Submission Open
Keywords: bioactive nanoparticles; targeted drug delivery; molecular imaging; stimuli-responsive nanocarriers; surface functionalization; hybrid nanomaterials; precision nanomedicine; clinical translation
(This special issue belongs to the Section Medicinal Chemistry)
Design, Synthesis and Applications of Fluorescent Probes
edited by and
submission deadline 31 Oct 2025 | Submission Open
Keywords: fluorescent probes; bioimaging; design synthesis; molecular imaging; cell biology; disease mechanisms; diagnostic imaging; drug discovery; biocompatibility
(This special issue belongs to the Section Medicinal Chemistry)
Halogen Bonding and Chalcogen Bonding in Polymer and Supramolecular Materials
edited by Andrew Docker
submission deadline 1 Nov 2025 | Viewed by 204 | Submission Open
Keywords: halogen bonding; chalcogen bonding; supramolecular materials; polymer materials
(This special issue belongs to the Section Materials Chemistry)
Insights on the Electron Transport in Electrolytes
edited by Chao Fang and Jiale Ma
submission deadline 10 Nov 2025 | Viewed by 14 | Submission Open
Keywords: electron transport; electrolytes; energy storage technologies; material properties; electrochemistry
Advances in Lignin-Based Biomaterials: Synthesis and Characterizations submission deadline 15 Nov 2025 | Viewed by 111 | Submission Open
Keywords: lignin; lignin-based biomaterials; chemical characterization; functionalization; depolymerization; reprocessability
(This special issue belongs to the Section Green Chemistry)
Studies in Polymer Degradation
edited by , Edcleide Maria Araujo and Bastos Y. M. De Almeida
submission deadline 15 Nov 2025 | Viewed by 30 | Submission Open
Keywords: degradation mechanisms; photooxidation; thermal degradation; upcycling technologies and additivities
(This special issue belongs to the Section Macromolecular Chemistry)
Recent Insights into Biopolymer Processing, from Preparation to Fundamental Properties and Industrial Applications, 2nd Edition submission deadline 15 Nov 2025 | Viewed by 14 | Submission Open
Keywords: biopolymers; biomaterials; renewables; properties; applications; sustainability; circular economy
Advances in Dyes and Photochromics submission deadline 16 Nov 2025 | Viewed by 61 | Submission Open
Keywords: photochromic compounds; green chemistry; molecular engineering; smart materials; environmental monitoring; electronic textiles; light-responsive materials; functional dyes; optical data storage; biomedical applications
(This special issue belongs to the Section Photochemistry)
Advances in Polymer Materials Based on Lignocellulosic Biomass
edited by Roland El Hage and
submission deadline 30 Nov 2025 | 6 articles | Viewed by 7449 | Submission Open
Keywords: natural fibers; agricultural wastes; pre-treatments; functionalisation; sustainability
(This special issue belongs to the Section Materials Chemistry)
Featured Reviews in Organometallic Chemistry, 2nd Edition
edited by
submission deadline 30 Nov 2025 | 2 articles | Viewed by 4126 | Submission Open
Keywords: organometallic chemistry; complexes; metals; metal– carbon bonding; main group metals; transition metals; lanthanides; catalysis; ligands; metal chemistry; phosphines; N-heterocyclic carbenes; bipyridines; homogeneous catalysis; cross coupling; bond activation; ancillary ligands; photoredox catalysis; asymmetric catalysis; crystallography; spectroscopy
(This special issue belongs to the Section Organometallic Chemistry)
Heterophase Polymerization and Functional Polymer Microspheres/Microcapsules
edited by Chengyou Kan and Wei Deng
submission deadline 30 Nov 2025 | 4 articles | Viewed by 3968 | Submission Open
Keywords: emulsion polymerization; mini emulsion polymerization; dispersion polymerization; suspension polymerization; encapsulation; functionalization; polymer microspheres; microcapsules; characterization; morphology control; structure– property relationship; polymer nanocomposite; application
(This special issue belongs to the Section Materials Chemistry)
Functional Evaluation of Bioactive Compounds from Natural Sources, 2nd Edition submission deadline 30 Nov 2025 | 4 articles | Viewed by 3440 | Submission Open
Keywords: bioactive compounds; natural sources; functional evaluation; biological activities; health benefits; mechanisms of action; bioactivity; phytochemicals
(This special issue belongs to the Section Natural Products Chemistry)
10th Anniversary of the Bioorganic Chemistry Section of Molecules submission deadline 30 Nov 2025 | 2 articles | Viewed by 2170 | Submission Open
Keywords: chemoenzymatic synthesis and use of enzymes in organic chemistry; enzyme inhibitors; enzyme immobilization and controlled enzyme immobilization; biocatalysis (ribozymes and catalytic antibodies); biosynthesis; combinatorial biosynthesis; biomimetic synthesis; synthetic glycobiology; immunochemical techniques; membrane chemistry; protein and small biomolecules; protein– protein interactions; protein– molecule interactions; functional proteins and peptides; peptide chemistry; biopolymers and artificial supramolecular assemblies; the organic chemistry aspects of genetic engineering; neurotoxins and neuronal receptors; molecular recognition of nucleic acids; bioactive lipids; non-natural amino acids; mass spectrometry studies on biomolecules; bioactive peptides and proteins; biological signalling
(This special issue belongs to the Section Bioorganic Chemistry)
Functional Nanomaterials for Food Safety and Biomedicine Analysis Applications
edited by
submission deadline 30 Nov 2025 | 1 articles | Viewed by 1647 | Submission Open
Keywords: functional nanomaterials; biosensors; food safety; biomedicine analysis; disease diagnosis
(This special issue belongs to the Section Applied Chemistry)
Recent Advances in the Valorization of Food, Agricultural By-Products and Waste, 2nd Edition submission deadline 30 Nov 2025 | 5 articles | Viewed by 1541 | Submission Open
Keywords: agro-food byproducts; green extraction methods; bioactive compounds; in vitro analysis; ex vivo and in vivo studies; health benefits; nutraceuticals
(This special issue belongs to the Section Green Chemistry)
Advances in 2D Materials for Electrochemical Applications
edited by Le Li, Dan Zhang and
submission deadline 30 Nov 2025 | 2 articles | Viewed by 1502 | Submission Open
Keywords: electrochemistry; 2D materials and their composites; materials chemistry; energy storage and conversion; batteries; solar cells and electrocatalysis
(This special issue belongs to the Section Electrochemistry)
Synthesis and Application of Multifunctional Nanocomposites
edited by , Yao Yuan and Lulu Xu
submission deadline 30 Nov 2025 | 1 articles | Viewed by 1374 | Submission Open
Keywords: nanocomposites; functional materials; molecules; synthesis; characterization
(This special issue belongs to the Section Nanochemistry)
30th Anniversary of Molecules—Recent Advances in Computational and Theoretical Chemistry
edited by
submission deadline 30 Nov 2025 | 3 articles | Viewed by 936 | Submission Open
Keywords: computational chemistry; quantum chemistry; density functional theory; molecular design; reaction mechanism; chemical bonding; non-covalent interactions; molecular docking
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Research Progress of New Antimicrobial Drugs submission deadline 30 Nov 2025 | 2 articles | Viewed by 882 | Submission Open
Keywords: synthesis of new antimicrobials; bioactive compounds; antimicrobial derivatives; synthetic and natural compounds; pathogens and opportunistic microbes; prevention and treatment; antibiofilm; discovery of antimicrobials
(This special issue belongs to the Section Medicinal Chemistry)
Molecular Insights into Functional Lipids in Food Chemistry
edited by and Siyu Zhang
submission deadline 30 Nov 2025 | 1 articles | Viewed by 662 | Submission Open
Keywords: structured lipid; synthesis; crystallization; fatty acid; glyceride  
(This special issue belongs to the Section Food Chemistry)
Advances in Fluorescence-Based Food Analytical Methods
edited by Yahui Guo
submission deadline 30 Nov 2025 | 1 articles | Viewed by 657 | Submission Open
Keywords: fluorescence technology; food analysis; probes; sensors; imaging techniques; food safety; quality control
(This special issue belongs to the Section Food Chemistry)
Advances in Electrochemical Reactions, Mechanisms and Sensing Applications submission deadline 30 Nov 2025 | 1 articles | Viewed by 499 | Submission Open
Keywords: electrochemical reactions; reaction mechanisms; electrocatalysis; electrochemical sensing; organic and organometallic compounds; analytical electrochemistry
(This special issue belongs to the Section Electrochemistry)
Advanced Removal of Emerging Pollutants and Its Mechanism
edited by , and Dorin Bombos
submission deadline 30 Nov 2025 | Viewed by 226 | Submission Open
Keywords: emerging contaminants; adsorption interactions; microbial biodegradation; pollutant removal efficiency; innovative technologies
(This special issue belongs to the Section Green Chemistry)
Design, Synthesis and Performance Evaluation of Advanced Metal Catalysts
edited by Xinbao Li
submission deadline 30 Nov 2025 | Viewed by 168 | Submission Open
Keywords: metal catalysts; catalyst design; innovative synthesis; performance evaluation; catalytic mechanism
(This special issue belongs to the Section Materials Chemistry)
Purposeful Assembly and Versatile Applications of Advanced Crystalline Frameworks
edited by
submission deadline 30 Nov 2025 | Viewed by 168 | Submission Open
Keywords: metal– organic frameworks; covalent organic frameworks; hydrogen-bonded organic frameworks; post-synthetic modification strategy; composite materials
(This special issue belongs to the Section Inorganic Chemistry)
Extraction of Plant-Derived Bioactives: Impacts on Human Health and Pharmacological Applications
edited by
submission deadline 30 Nov 2025 | Viewed by 117 | Submission Open
Keywords: plant extracts; bioactivity; pharmacology; human health; natural compounds extraction; natural compounds activity; pharmacokinetics
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Anticancer Activity of Natural Products and Related Compounds
edited by
submission deadline 30 Nov 2025 | Viewed by 111 | Submission Open
Keywords: natural compounds; anticancer activity; bioactive compounds; cancer therapeutics; drug resistance; synergistic effect
(This special issue belongs to the Section Natural Products Chemistry)
Opportunities and Challenges in Protein Crystallography
edited by
submission deadline 30 Nov 2025 | Viewed by 102 | Submission Open
Keywords: protein crystals; X-ray diffraction; cryo-EM; small-angle X-ray scattering; phasing methods; structural analysis
(This special issue belongs to the Section Chemical Biology)
Nanomaterials for Biomedicine: Innovations and Challenges
edited by and
submission deadline 30 Nov 2025 | Viewed by 89 | Submission Open
Keywords: nanomaterial; targeted drug delivery; bio-imaging; antimicrobial application; cancer immunotherapy; nanovaccine
(This special issue belongs to the Section Nanochemistry)
Biopolymers for Drug Delivery Systems
edited by and Petra Arany
submission deadline 30 Nov 2025 | Viewed by 75 | Submission Open
Keywords: drug delivery systems; biopolymers; personalized medication; nanoparticle; hydrogel; 3D printing
(This special issue belongs to the Section Medicinal Chemistry)
Development and Applications of Single-Atom Catalysts
edited by and Jin Xie
submission deadline 30 Nov 2025 | Viewed by 71 | Submission Open
Keywords: single-atom catalysts; catalytic mechanisms; electrocatalysis; photocatalysis; biocatalysis; green catalysis; nanocatalysis; catalytic reactions; catalyst design and synthesis; selectivity and activity; energy conversion; environmental catalysis
(This special issue belongs to the Section Organic Chemistry)
Modern Sample Preparation Approaches for Separation Science, 2nd Edition
edited by
submission deadline 30 Nov 2025 | Viewed by 68 | Submission Open
Keywords: sample preparation; enrichment techniques; sorption-based methods; virtual sample preparation; microextraction techniques; new analytical strategies; separation techniques
(This special issue belongs to the Section Analytical Chemistry)
Phytochemicals from Agricultural Production By-Products and Wastes and Their Re-Use submission deadline 30 Nov 2025 | Viewed by 59 | Submission Open
Keywords: phytochemical recovery; agricultural by-products; sustainable valorization; circular economy; bioactive compounds; biorefinery processes
(This special issue belongs to the Section Natural Products Chemistry)
Exploring the Natural Antioxidants in Foods
edited by Ewa Piątkowska, Mariola Drozdowska and Ewelina Piasna-Słupecka
submission deadline 30 Nov 2025 | Viewed by 59 | Submission Open
Keywords: antioxidants; non-communicable diseases; vegetables; fruit; free radicals
(This special issue belongs to the Section Natural Products Chemistry)
Bioactive Properties and Chemical Composition of Wild Edible Species, 2nd Edition
edited by Spyridon Petropoulos
submission deadline 30 Nov 2025 | Viewed by 53 | Submission Open
Keywords: wild edible species; bioactive properties; polyphenols; antioxidant activity; antimicrobial properties; carotenoids; vitamins
(This special issue belongs to the Section Natural Products Chemistry)
Harnessing Nature’s Chemical Diversity: Innovations in Isolation, Identification, and Synthesis
edited by Niko Radulović and
submission deadline 30 Nov 2025 | Viewed by 50 | Submission Open
Keywords: natural product chemistry; phytochemistry and essential oils; isolation and structural elucidation; chromatographic techniques (GC; HPLC; etc.); mass spectrometry (GC-MS; LC-MS; etc.); NMR spectroscopy; analytical chemistry; synthetic and semi-synthetic methods; bioactive compounds and biological activity; medicinal and aromatic plants; chemotaxonomy; chemical ecology and plant defense mechanisms; biotechnological applications; structure– activity relationships (SAR); biomimetic synthesis
(This special issue belongs to the Section Natural Products Chemistry)
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