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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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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 31 Dec 2026 | 1 articles | Viewed by 1999 | Submission Open
Keywords: marine organisms; bioactive metabolites; marine invertebrates and their associated microorganisms
(This special issue belongs to the Section Natural Products Chemistry)
Exploring Phytochemicals: Their Structure, Biological Activities and Health-Promoting Effects
edited by and Samireh Jorfi
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1992 | Submission Open
Keywords: phytochemicals; medicinal/culinary plants; bioactive properties; health benefits
(This special issue belongs to the Section Natural Products Chemistry)
Metal–Halide Perovskites for Solar Cell and LED Materials
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1899 | Submission Open
Keywords: hybrid halide perovskite solar cell materials; perovskite light-emitting diode materials; optical properties; luminescence; material property characterization; thin solid films; crystal formation
(This special issue belongs to the Section Materials Chemistry)
Foam and Emulsion Systems: Stability, Rheology, and Applications
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1872 | Submission Open
Keywords: foams; emulsions; interfacial stability; rheology; soft matter; applications
30th Anniversary of Molecules—Recent Advances in Physical Chemistry
edited by
submission deadline 31 Dec 2026 | 5 articles | Viewed by 1832 | Submission Open
Keywords: physical chemistry; dynamics and kinetics; thermodynamics; quantum chemistry; spectroscopy
(This special issue belongs to the Section Physical Chemistry)
Recent Advances in Peptide Assembly and Bioactivity
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1739 | Submission Open
Keywords: peptide; self-assembly; co-assembly; stimuli-responsive; bioactivity; biomaterials
(This special issue belongs to the Section Bioorganic Chemistry)
Secondary Metabolites from Natural Products: Extraction, Isolation and Biological Activities, 2nd Edition
edited by Radosław Kowalski and
submission deadline 31 Dec 2026 | 3 articles | Viewed by 1621 | Submission Open
Keywords: natural products; secondary metabolites; analytical techniques application; extraction and separation; chemical composition; phytochemistry; isolation and structure elucidation; secondary metabolites; antimicrobial activity; antioxidant activity; anticancer activity
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Lactam Chemistry: From Synthetic Strategies to Biological Applications
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1596 | Submission Open
Keywords: lactams; sustainable synthesis; structure– activity relationship (SAR); drug discovery; β -lactam analogues; heterocyclic chemistry; therapeutic applications; antimicrobial and anticancer agents
(This special issue belongs to the Section Organic Chemistry)
Functional Molecules as Novel Cosmetic Ingredients, 2nd Edition
edited by Jing Wang and
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1596 | Submission Open
Keywords: synthetic molecules; plant extracts; natural compounds; biotech-derived molecules; natural-derived molecules; fermentation-derived ingredients; biological activity; cosmetics; encapsulation and delivery technologies of ingredients; skin-care; hair-care
(This special issue belongs to the Section Applied Chemistry)
Molecular Dynamics Simulations: Applications and Advances
edited by and Godehard Sutmann
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1197 | Submission Open
Keywords: force fields and interaction models; ab initio molecular dynamics for ground and excited states: adiabatic and non-adiabatic approaches; adaptive potentials and hybrid interactions; enhanced sampling techniques; free energy calculations and related methods; hybrid and multiscale modeling; integrators and thermostat/barostat algorithms; machine learning and AI in molecular dynamics; applications of MD in life sciences; materials; and energy; system preparation and velocity assignment; trajectory; structural; kinetic; and dynamic analysis; hardware acceleration; parallelization; and software development
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Organic and Inorganic Luminescent Materials, 3rd Edition
edited by , Dan Zou and Xibao Zhang
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1190 | Submission Open
Keywords: luminescent; material; organic; inorganic; OLED; organic light-emitting diode; carbon dot; perovskite; aggregation-induced emission; AIE; thermally activated delayed fluorescence emitter; TADF; mechanism; design; application; process; display; lighting; detection; monitoring
(This special issue belongs to the Section Applied Chemistry)
Featured Reviews in Chemical Biology 2026
edited by and
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1175 | Submission Open
Keywords: chemical biology; chemical probes; phenotypic screening; target identification/validation; bioactive metabolites; signaling molecules; drug discovery; enzymology; synthetic biology
(This special issue belongs to the Section Chemical Biology)
30th Anniversary of Molecules—Recent Advances in Medicinal Chemistry submission deadline 31 Dec 2026 | 1 articles | Viewed by 1162 | Submission Open
Keywords: medicinal chemistry; drug discovery and development; lead compounds; proximity-inducing drugs; photopharmacology; covalent modifiers; antibody-drug conjugates; epigenetic modulators
(This special issue belongs to the Section Medicinal Chemistry)
Exploring Physical Chemistry Processes in Chemical Engineering: From Analysis to Application submission deadline 31 Dec 2026 | 2 articles | Viewed by 1101 | Submission Open
Keywords: physical chemistry in chemical engineering; thermodynamics and phase behavior; reaction kinetics and catalysis; surface and interfacial phenomena; molecular interactions and transport; separation and adsorption processes; modeling and simulation; energy and sustainable processes
(This special issue belongs to the Section Physical Chemistry)
Advances in Remediation Methods of Pharmaceutical Pollutants in Water submission deadline 31 Dec 2026 | 1 articles | Viewed by 1054 | Submission Open
Keywords: drug pollutants; advanced oxidation processes; water treatment; electrochemical methods; photodegradation; degradation pathways; mineralization; toxicity assessment
(This special issue belongs to the Section Green Chemistry)
Functional Molecules Design for Nutrition Health
edited by and
submission deadline 31 Dec 2026 | 1 articles | Viewed by 966 | Submission Open
Keywords: molecule design; biological activity; nutrition and health; personalized nutrition protocols; precision therapeutic methods
(This special issue belongs to the Section Materials Chemistry)
Fullerene and Its Application
edited by , and Yuriy Prylutskyy
submission deadline 31 Dec 2026 | 1 articles | Viewed by 960 | Submission Open
Keywords: fullerene; fullerene-based nanomaterials; computer simulation; synthesis and physicochemical characterization; biomedical application
(This special issue belongs to the Section Applied Chemistry)
Advancements in Enzyme Immobilization Techniques submission deadline 31 Dec 2026 | Viewed by 914 | Submission Open
Keywords: enzyme immobilization; biocatalysis; enzyme stabilization; reusability/recyclability; activity retention; operational stability; mass transfer limitation
(This special issue belongs to the Section Applied Chemistry)
Silymarin and Derivatives: From Biosynthesis to Health Benefits 2.0
edited by
submission deadline 31 Dec 2026 | Viewed by 911 | Submission Open
Keywords: silymarin: sources and biosynthesis; secondary metabolites and silymarin derivatives; silymarin bioavailability; silymarin and cardiovascular diseases; silymarin and metabolic syndrome; silymarin and cancer; silymarin and inflammation and immune diseases; silymarin and degenerative age-related diseases
(This special issue belongs to the Section Natural Products Chemistry)
Bioactive Molecules from Natural Reservoirs: Discovery, Synthesis, and Translational Applications in Health and Food
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 848 | Submission Open
Keywords: bioactive molecules; medicinal and edible plants; microorganisms; synthesis; bioactive mechanisms; human health; food quality control
(This special issue belongs to the Section Natural Products Chemistry)
Chemical Compounds or Agents Against Parasites, Bacteria, and Neglected Tropical Diseases
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 803 | Submission Open
Keywords: chemical compounds; resistance; NTDs; targets
(This special issue belongs to the Section Medicinal Chemistry)
Metal Clusters and Metal Complexes: Free Standing Species, Surface Stabilized Species, Species Under Confinement in Micropores or Inert Gas Matrixes
edited by Peter A. Georgiev
submission deadline 31 Dec 2026 | 1 articles | Viewed by 801 | Submission Open
Keywords: metal clusters; metal complexes; targeted delivery; cancer treatment research; bactericidal; spinal cord recovery; nerve regeneration; progressive neurodegenerative disease diagnosis and treatment
(This special issue belongs to the Section Organometallic Chemistry)
Novel Functional Crystalline Materials: Structure, Properties, and Application
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 757 | Submission Open
Keywords: functional crystalline materials; structure-property relationships; metal– organic frameworks (MOFs); covalent organic frameworks (COFs); hybrid perovskites; photonics and optoelectronics; energy storage and conversion; biomaterials applications
(This special issue belongs to the Section Materials Chemistry)
Light and Electric Field Driven Catalysis for Sustainable Energy and Environment
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 688 | Submission Open
Keywords: photocatalysis; electrocatalysis; photoelectrocatalysis; solar fuels; CO2 reduction; environmental remediation; charge transfer; interface engineering; sustainable chemistry
(This special issue belongs to the Section Applied Chemistry)
The Development of Photosensitizers and Photodynamic Medicine
edited by and
submission deadline 31 Dec 2026 | Viewed by 585 | Submission Open
Keywords: photodynamic therapy; photosensitizer development; photosensitizer pharmaceutics; photosensitizer composite materials; targeted delivery for photosensitizer; photodynamic dosimetry
(This special issue belongs to the Section Medicinal Chemistry)
Mechanisms of Chronic Diseases and Intervention Strategies: The Role of Bioactive Compounds in Foods and Herbal Extracts
edited by and Xiang Li
submission deadline 31 Dec 2026 | 1 articles | Viewed by 529 | Submission Open
Keywords: chronic diseases; multi-target intervention; bioactive compounds; herbal extracts; omics technologies; multi-target modulation
(This special issue belongs to the Section Natural Products Chemistry)
Recent Advances in Fermentation in Food Chemistry
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 525 | Submission Open
Keywords: fermentation; functional foods; fermented beverages; lactic acid fermentation; ethanol fermentation; bioactive compounds; food microbiology
(This special issue belongs to the Section Food Chemistry)
Challenges in Green Analytical Chemistry submission deadline 31 Dec 2026 | Viewed by 486 | Submission Open
Keywords: green analytical chemistry; sustainable analytical methods; eco-friendly sample preparation; miniaturized techniques; solvent reduction; greenness assessment tools; waste minimization; renewable analytical materials; energy-efficient analysis; green metrics in chemistry
Challenges and Advances in Green Analytical Chemistry submission deadline 31 Dec 2026 | Viewed by 436 | Submission Open
Keywords: green analytical chemistry; miniaturized extraction; nanomaterials; chromatography; mass spectrometry; environmental analysis; food analysis; bioanalytical chemistry; sustainability; novel methods
Advanced Nanomaterials for Energy Storage Devices, 2nd Edition
edited by
submission deadline 31 Dec 2026 | Viewed by 411 | Submission Open
Keywords: electrochemical energy storage; carbon nanomaterials; layered transition metal dichalcogenides; porous 1D nanomaterials; 2D transition metal carbides/nitride (MXene) nanomaterials; energy conversion and storage; fuel cells; batteries; flow batteries; supercapacitors; hydrogen production; storage and distribution; utilization of carbon dioxide
(This special issue belongs to the Section Inorganic Chemistry)
Chemistry of Amino Acids, Peptides, and Proteins
edited by and Nicholas Truex
submission deadline 31 Dec 2026 | Viewed by 384 | Submission Open
Keywords: amino acids; peptides; proteins; synthesis; derivatives; characterization; structural studies; biophysical properties; natural products
(This special issue belongs to the Section Macromolecular Chemistry)
Chemical Design of Nanocomposite Materials for Enhanced Electrochemical Performance
edited by and Xingxing Jiao
submission deadline 31 Dec 2026 | Viewed by 368 | Submission Open
Keywords: nanocomposite materials; electrochemical properties; lithium batteries; solid-state electrolytes; interfacial electrochemistry; ionic conductivity; electrode design; theoretical calculations
(This special issue belongs to the Section Electrochemistry)
Catalysis for Drug Discovery
edited by
submission deadline 31 Dec 2026 | Viewed by 352 | Submission Open
Keywords: organic synthesis; metal catalysis; organocatalysis; asymmetric catalysis; photocatalysis; electrocatalysis; drug discovery
(This special issue belongs to the Section Organic Chemistry)
Chromatographic Methods for Monitoring Food Safety and Quality—Second Edition submission deadline 31 Dec 2026 | Viewed by 336 | Submission Open
Keywords: antibiotics; bioactive compounds; chromatography; contaminants; food chemistry; food authentication; food quality; food safety; method validation; microplastics; pesticides; veterinary drugs
(This special issue belongs to the Section Analytical Chemistry)
Computational Chemistry in Homogeneous and Heterogeneous Catalysis and Surface Chemistry
edited by Haya Kornweitz and
submission deadline 31 Dec 2026 | Viewed by 330 | Submission Open
Keywords: density functional theory (DFT); heterogeneous catalysis; homogeneous catalysis; surface reactions; reaction mechanism; metallic Surfaces; nanoparticles; adsorption; desorption; ab initio calculations; material science; surface modelling; reaction kinetics; thermochemistry and reactivity; transition State theory; potential energy surfaces (PES); hydrogenation; hydrogen evolution reaction (HER); oxygen evolution reaction (OER); CO2 reduction; electrocatalysis; machine learning
Advances in Anticancer Activity of Natural Compounds: New Findings and Potential Applications
edited by , and Melissa García-Carrasco
submission deadline 31 Dec 2026 | Viewed by 323 | Submission Open
Keywords: cancer; natural compound; drug discovery; bioactive compounds; encapsulation technology; molecular mechanisms; translational oncology; therapeutic applications
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Polymeric Systems Loaded with Natural Bioactive Compounds submission deadline 31 Dec 2026 | 1 articles | Viewed by 321 | Submission Open
Keywords: polymer-based delivery systems with natural bioactive principles encapsulated; polyphenols/flavonoids; polymer– drug conjugates; drug delivery system; natural bioactive compounds; active targeting; omega 3 fatty acids; carotenoids; vitamins; nanoparticles; nanocapsules; liposomes; hydrogels
(This special issue belongs to the Section Macromolecular Chemistry)
Exploring Bioactive Polyphenolic Compounds in Food and Natural Real-World Samples, 3rd Edition
edited by and Katia Arena
submission deadline 31 Dec 2026 | Viewed by 297 | Submission Open
Keywords: polyphenols; foods; natural products; comprehensive two-dimensional liquid chromatography
(This special issue belongs to the Section Natural Products Chemistry)
Design, Synthesis, and Biological Evaluation of Novel Metal Complexes submission deadline 31 Dec 2026 | Viewed by 282 | Submission Open
Keywords: coordination compound; 3d metal complexes; biological activity; anticancer activity; selectivity; toxicity; antioxidant activity; antibacterial activity; mechanism of action
(This special issue belongs to the Section Medicinal Chemistry)
Benefits, Properties and Innovative Uses of Flavonoids submission deadline 31 Dec 2026 | Viewed by 273 | Submission Open
Keywords: flavonoids; polyphenols; cocrystals; bioactive compounds; antioxidant activity; health benefits; functional foods; nutraceuticals; solubility; bioavailability
(This special issue belongs to the Section Natural Products Chemistry)
Tautomerism and Proton Transfer—Fundamental Aspects and Applicability
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 272 | Submission Open
Keywords: tautomerism; proton transfer; hydrogen bonding; molecular switches; molecular sensors; dye chemistry; organic synthesis; solvent effect; photo-; halo-; and thermochromism; molecular spectroscopy; computational chemistry; photochemistry
(This special issue belongs to the Section Physical Chemistry)
Exploring the Modification of Nanocellulose: Strategies for Enhancing Properties and Expanding Applications submission deadline 31 Dec 2026 | Viewed by 265 | Submission Open
Keywords: nanocellulose; cellulose-polymer composites; cellulose nanofibers (CNFs); cellulose nanocrystals (CNCs); cellulose processing; nanocellulose functionalization; TEMPO cellulose; surface modification; grafting; nanocellulose biosensors
(This special issue belongs to the Section Macromolecular Chemistry)
Impact of Aromatic Plants and Their Extracts on Insect Models for Nutritional, Medicinal, and Crop Protection Research submission deadline 31 Dec 2026 | Viewed by 261 | Submission Open
Keywords: aromatic plants; bioactive extracts; volatiles; insect models; edible insects; olfaction; bioinsecticides
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Density Functional Theory (DFT) Calculation, 2nd Edition submission deadline 31 Dec 2026 | Viewed by 258 | Submission Open
Keywords: DFT; theoretical and computational chemistry; new functional materials; calculations of new materials and catalysts; characterization of the catalytic materials; non-covalent interactions (NCI); biological activities; electronic properties; kinetics and catalysis; QTAIM
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Advances in Biomass Conversion, Biofuel Production and Biorefinery Processes submission deadline 31 Dec 2026 | Viewed by 256 | Submission Open
Keywords: biomass conversion; biofuels; catalysis; biorefinery integration; CO2 utilization; hydrogen production; energy storage; life-cycle and techno-economic analysis
(This special issue belongs to the Section Green Chemistry)
Challenges in Food Flavor and Volatile Compounds Analysis, the Second Edition submission deadline 31 Dec 2026 | Viewed by 246 | Submission Open
Keywords: flavor; aroma compounds; volatiles; gas chromatography; mass spectrometry; sample preparation; hyphenated methods
(This special issue belongs to the Section Flavours and Fragrances)
Bioactive and Nutritional Molecules: From Natural Sources to Therapeutic and Health Applications, 2nd Edition
edited by
submission deadline 31 Dec 2026 | Viewed by 242 | Submission Open
Keywords: bioactive and nutritional molecules; natural therapeutic agents; bioactive compounds
(This special issue belongs to the Section Cross-Field Chemistry)
Anticancer Drugs: Design, Synthesis, and Anticancer Activity
edited by Yusuf Tutar
submission deadline 31 Dec 2026 | Viewed by 242 | Submission Open
Keywords: structure– activity relationships; pharmacological evaluation; prodrugs and drug delivery; targeted cancer therapy; small molecules; peptides and natural products as anticancer agents; computational drug discovery and virtual screening; mechanism of action studies; in vitro and in vivo anticancer assays; cancer cell signaling modulation
(This special issue belongs to the Section Medicinal Chemistry)
Advances in Functional Materials for Heterogeneous Electrocatalysis
edited by
submission deadline 31 Dec 2026 | Viewed by 237 | Submission Open
Keywords: interfacial interactions; environmental sustainability; energy conversion; water remediation; in situ characterization; first-principles calculations; machine learning
(This special issue belongs to the Section Electrochemistry)
Functional Polysaccharide Systems: From Molecular Interactions to Innovative Applications
edited by Sławomir Pietrzyk and Karolina Królikowska
submission deadline 31 Dec 2026 | Viewed by 237 | Submission Open
Keywords: functional polysaccharide systems; molecular interactions; structure– function relationships; interactions with other components; polymer modification; innovative applications in food and biotechnology
(This special issue belongs to the Section Food Chemistry)
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