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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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Advances in Small Molecule Inhibitor-Based Drug Discovery Through Computational Chemistry submission deadline 3 Nov 2025 | Viewed by 191 | Submission Open
Keywords: drug discovery; medicinal chemistry; molecular modeling; natural inhibitors; antiviral; small inhibitors
(This special issue belongs to the Section Bioorganic Chemistry)
Insights on the Electron Transport in Electrolytes
edited by Chao Fang and Jiale Ma
submission deadline 10 Nov 2025 | Viewed by 259 | Submission Open
Keywords: electron transport; electrolytes; energy storage technologies; material properties; electrochemistry
Deep Eutectic Solvents for the Extraction of Bioactive Compounds from Natural Sources
edited by Kristina Radošević and
submission deadline 15 Nov 2025 | 6 articles | Viewed by 7523 | Submission Open
Keywords: bioactive compounds; natural sources; biological activity; deep eutectic solvents; green extraction; sustainable solvents; natural product valorization
(This special issue belongs to the Section Cross-Field Chemistry)
Recent Insights into Biopolymer Processing, from Preparation to Fundamental Properties and Industrial Applications, 2nd Edition submission deadline 15 Nov 2025 | 1 articles | Viewed by 1077 | Submission Open
Keywords: biopolymers; biomaterials; renewables; properties; applications; sustainability; circular economy
Advances in Lignin-Based Biomaterials: Synthesis and Characterizations submission deadline 15 Nov 2025 | Viewed by 274 | Submission Open
Keywords: lignin; lignin-based biomaterials; chemical characterization; functionalization; depolymerization; reprocessability
(This special issue belongs to the Section Green Chemistry)
Functional Adsorption Materials for Catalytic Degradation in Pollution Chemistry submission deadline 15 Nov 2025 | Viewed by 232 | Submission Open
Keywords: adsorptive catalysis; pollutant degradation; functional meterials; environmental remediation; hybride adsorbents; water and air purification
(This special issue belongs to the Section Applied Chemistry)
Studies in Polymer Degradation
edited by , Edcleide Maria Araujo and Bastos Y. M. De Almeida
submission deadline 15 Nov 2025 | Viewed by 178 | Submission Open
Keywords: degradation mechanisms; photooxidation; thermal degradation; upcycling technologies and additivities
(This special issue belongs to the Section Macromolecular Chemistry)
Advances in Dyes and Photochromics submission deadline 16 Nov 2025 | 1 articles | Viewed by 1333 | 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 | 15 articles | Viewed by 26012 | Submission Open
Keywords: natural fibers; agricultural wastes; pre-treatments; functionalisation; sustainability
(This special issue belongs to the Section Materials Chemistry)
Applied Analytical Chemistry: Second Edition
edited by
submission deadline 30 Nov 2025 | 8 articles | Viewed by 25085 | Submission Open
Keywords: food production; forensic practice and archaeology; environmental monitoring; clinical practice; quality control in industry; analysis of plant material
(This special issue belongs to the Section Analytical Chemistry)
10th Anniversary of Green Chemistry Section submission deadline 30 Nov 2025 | 18 articles | Viewed by 23136 | Submission Open
Keywords: green catalysts; green extraction and processing; chemistry based on natural products; bio-based solvents with sub- and super-critical fluids; microwave and ultrasound; organic reaction in green solvents; bioconversion of biomass and sustainable biomaterials; creating fine chemicals and polymers from renewable resources; green nanotechnology; green analytical chemistry; green degradation process
(This special issue belongs to the Section Green Chemistry)
10th Anniversary of the Bioorganic Chemistry Section of Molecules submission deadline 30 Nov 2025 | 8 articles | Viewed by 16277 | 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 Evaluation of Bioactive Compounds from Natural Sources, 2nd Edition submission deadline 30 Nov 2025 | 6 articles | Viewed by 15050 | 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)
Food Chemistry and Bioactive Compounds in Relation to Health, 2nd Edition submission deadline 30 Nov 2025 | 6 articles | Viewed by 14048 | Submission Open
Keywords: biologically active compounds; functional food ingredients; metabolic pathways; health benefits; foodborne pathogens; probiotics; chromatographic analysis; enzymes applied in food industry
(This special issue belongs to the Section Food Chemistry)
Medicinal Value of Natural Bioactive Compounds and Plant Extracts, 3rd Edition submission deadline 30 Nov 2025 | 6 articles | Viewed by 13881 | Submission Open
Keywords: secondary plant metabolites; plant extracts; biological activity; polyphenols; alkaloids; in vitro; in vivo and study; cosmetology; ethnopharmacology; isolation and structure elucidation of plant metabolites
(This special issue belongs to the Section Natural Products Chemistry)
Research Progress of New Antimicrobial Drugs submission deadline 30 Nov 2025 | 8 articles | Viewed by 12267 | 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)
Insights for Organofluorine Chemistry, 2nd Edition
edited by
submission deadline 30 Nov 2025 | 3 articles | Viewed by 10993 | Submission Open
Keywords: organofluorine compounds; fluorination; fluoroalkylation; fluorination reagents; fluoroalkylation reagents; fluorine building blocks; fluorine drugs; fluorine pesticides; fluorinated materials
(This special issue belongs to the Section Organic Chemistry)
Recent Advances in the Valorization of Food, Agricultural By-Products and Waste, 2nd Edition submission deadline 30 Nov 2025 | 10 articles | Viewed by 10816 | 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)
Pharmaceutical Modelling in Physical Chemistry submission deadline 30 Nov 2025 | 5 articles | Viewed by 10673 | Submission Open
Keywords: pharmaceutical modelling; virtual screening; machine learning; molecular dynamics; enhanced sampling; ab initio calculations
(This special issue belongs to the Section Physical Chemistry)
Amphiphilic Molecules, Interfaces and Colloids: 2nd Edition
edited by and Khristo Khristov
submission deadline 30 Nov 2025 | 8 articles | Viewed by 10075 | Submission Open
Keywords: emulsions; foams; sols; gels; amphiphilic molecules; self-assembled structures; phase behavior; surface forces; intermolecular forces; adsorption; rheology; design of functionalized colloids; thin liquid films
(This special issue belongs to the Section Physical Chemistry)
Heterophase Polymerization and Functional Polymer Microspheres/Microcapsules
edited by Chengyou Kan and Wei Deng
submission deadline 30 Nov 2025 | 6 articles | Viewed by 10056 | 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)
Heterogeneous Catalysis for Sustainability and Carbon-Neutrality
edited by Ruiyang Qu
submission deadline 30 Nov 2025 | 10 articles | Viewed by 9938 | Submission Open
Keywords: heterogeneous catalysis; photocatalysis; electrocatalysis; catalytic materials; renewable energy; sustainable development; carbon-neutrality
(This special issue belongs to the Section Cross-Field Chemistry)
Advances in the Mass Spectrometry of Chemical and Biological Samples
edited by
submission deadline 30 Nov 2025 | 5 articles | Viewed by 9710 | Submission Open
Keywords: sample preparation; extraction; and ionization techniques; targeted and untargeted MS-based methods; high-resolution mass spectrometry (HRMS); MS-based omics; MS imaging; MS-based biomarker discovery and clinical diagnosis; MS-based drug development and toxicity monitoring; MS-based analysis of microbiome; MS in food chemistry and control; MS in forensic science; MS in cosmetic science; MS in environmental science; miniature MS systems; MS applications in nanomaterials development; MS applications in synthetic chemistry
(This special issue belongs to the Section Analytical Chemistry)
Exploring the Natural Antioxidants in Foods
edited by Ewa Piątkowska, Mariola Drozdowska and Ewelina Piasna-Słupecka
submission deadline 30 Nov 2025 | 4 articles | Viewed by 9313 | Submission Open
Keywords: antioxidants; non-communicable diseases; vegetables; fruit; free radicals
(This special issue belongs to the Section Natural Products Chemistry)
Lipids and Surfactants in Delivery Systems
edited by Agnieszka Lewińska and Marta Domżał-Kędzia
submission deadline 30 Nov 2025 | 4 articles | Viewed by 7883 | Submission Open
Keywords: delivery systems; controlled-release systems; targeted delivery systems; preparation and characterization; surfactant– lipid interactions; lipid and surfactant nanocarriers; bioavailability enhancement; nanotechnology
(This special issue belongs to the Section Nanochemistry)
Bee Products: Recent Progress in Health Benefits Studies, 2nd Edition submission deadline 30 Nov 2025 | 4 articles | Viewed by 7852 | Submission Open
Keywords: honey bee products; bioactive compounds; biological and phamacological activity; health benefits; side effects of honey bee products
(This special issue belongs to the Section Natural Products Chemistry)
Advanced Luminescent Materials: From Design, Synthesis, Fluorescent Mechanism to Applications
edited by Wei Chen
submission deadline 30 Nov 2025 | 4 articles | Viewed by 7492 | Submission Open
Keywords: fluorescent probes; bioimaging; biosensing; biomaterials
(This special issue belongs to the Section Nanochemistry)
Featured Reviews in Organometallic Chemistry, 2nd Edition
edited by
submission deadline 30 Nov 2025 | 3 articles | Viewed by 7380 | 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)
Recent Advances in Supramolecular Chemistry
edited by Wen-Chao Geng
submission deadline 30 Nov 2025 | 6 articles | Viewed by 7164 | Submission Open
Keywords: supramolecular chemistry; molecular recognition; self-assembly; supramolecular materials; macrocycles
(This special issue belongs to the Section Macromolecular Chemistry)
Advances in Green Solvents for Analytical Chemistry: Deep Eutectic Solvents and Biosolvents submission deadline 30 Nov 2025 | 4 articles | Viewed by 6686 | Submission Open
Keywords: eutectic Solvents; biosolvents; green chemistry; microextraction techniques; environmentally friendly methods; green sample preparation; chromatography modifiers; sample preparation
(This special issue belongs to the Section Analytical Chemistry)
Synthesis and Crystal Structure of Rare-Earth Metal Compounds
edited by
submission deadline 30 Nov 2025 | 5 articles | Viewed by 6383 | Submission Open
Keywords: synthesis; crystal structure; luminescence; magnetism; catalysts; optical properties
(This special issue belongs to the Section Inorganic Chemistry)
Advanced Analytical Tools for Characterization and Quality Control of Food, Drugs, and Natural Active Ingredients, 3rd Edition submission deadline 30 Nov 2025 | 4 articles | Viewed by 5615 | Submission Open
Keywords: authentication; classification; pharmaceutical drugs; food; quality control; natural products; geographical origin; chemometrics
(This special issue belongs to the Section Analytical Chemistry)
Recent Advances in Mass Spectrometry Analysis for Medical and Pharmaceutical Applications
edited by Wojciech Piekoszewski
submission deadline 30 Nov 2025 | 3 articles | Viewed by 5522 | Submission Open
Keywords: mass spectrometry (MS); biomarkers; drug metabolism; proteomics; metabolomics; pharmaceutical analysis; personalized medicine; therapeutic drug monitoring
(This special issue belongs to the Section Analytical Chemistry)
Small Molecule Drug Discovery and Development to Face Neurodegenerative Threads submission deadline 30 Nov 2025 | 4 articles | Viewed by 5188 | Submission Open
Keywords: neurodegenerative diseases; neuroprotection; drug discovery; synthesis of pharmaceutically relevant compounds; isolation and identification of biologically active natural products; in vitro; ex vivo; and in vivo biological evaluation; molecular docking; drug repositioning
(This special issue belongs to the Section Medicinal Chemistry)
Advanced Polymer Nanocomposites for Energy Applications for a Sustainable Environment submission deadline 30 Nov 2025 | 2 articles | Viewed by 4933 | Submission Open
Keywords: polymer nanocomposites; multifunctional materials; heat storage; energy conversion; energy harvesting; thermal management of batteries; characterization; applications
(This special issue belongs to the Section Materials Chemistry)
Quantum Chemical Calculations of Molecular Reaction Processes, 2nd Edition
edited by and Shiro Koseki
submission deadline 30 Nov 2025 | 5 articles | Viewed by 3997 | Submission Open
Keywords: computational chemistry; electronic structure; MO theory; DFT calculation; reaction process; Ab initio molecular dynamics; molecular design
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Innovative Materials for Advanced Lithium, Sodium and Zinc Batteries: Design, Synthesis and Application
edited by Ting He
submission deadline 30 Nov 2025 | 2 articles | Viewed by 3835 | Submission Open
Keywords: functional electrode material; electrochemistry; energy storage; Li/Na/Zn-ion battery; aqueous battery
(This special issue belongs to the Section Electrochemistry)
Advanced Materials for Photocatalytic and Photoelectrocatalytic Water-Splitting submission deadline 30 Nov 2025 | 2 articles | Viewed by 3525 | Submission Open
Keywords: photocatalysis; photoelectrocatalysis; water splitting; bandgap engineering; semiconductor materials; visible-light-driven catalysis
(This special issue belongs to the Section Materials Chemistry)
Extraction and Antioxidant Activity of Bee Products submission deadline 30 Nov 2025 | 2 articles | Viewed by 3497 | Submission Open
Keywords: bee products; extraction; chemical composition; isolation and identification; chromatographic analysis; analytical methods; antioxidants; biologically active compounds
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Food Analytical Methods
edited by Yahui Guo
submission deadline 30 Nov 2025 | 4 articles | Viewed by 3406 | Submission Open
Keywords: food analysis; food component; food contaminant; food additive; functional compound; chromatography; mass spectrometry; spectroscopy; biosensor; chemometrics; AI-based approach; food safety; food authenticity; nutritional quality; food traceability
(This special issue belongs to the Section Food Chemistry)
Extraction and Analysis of Natural Products in Food—3rd Edition submission deadline 30 Nov 2025 | 3 articles | Viewed by 3375 | Submission Open
Keywords: natural products; extraction methodologies: green impacts and sustainability  ; separation and purification techniques  ; agri-food byproducts  ; natural bioactive compounds  ; food ingredients  ; industrial application
(This special issue belongs to the Section Natural Products Chemistry)
Advances in 2D Materials for Electrochemical Applications
edited by Le Li, Dan Zhang and
submission deadline 30 Nov 2025 | 2 articles | Viewed by 3005 | 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)
Functional Nanomaterials for Food Safety and Biomedicine Analysis Applications
edited by
submission deadline 30 Nov 2025 | 1 articles | Viewed by 2914 | Submission Open
Keywords: functional nanomaterials; biosensors; food safety; biomedicine analysis; disease diagnosis
(This special issue belongs to the Section Applied Chemistry)
Bio-Based and Natural Compounds: A Sustainable Approach for an Environmental Transition submission deadline 30 Nov 2025 | 2 articles | Viewed by 2650 | Submission Open
Keywords: bio-based materials; green materials; environmental application; natural compounds; characterization; sustainability
(This special issue belongs to the Section Green Chemistry)
Molecular Insights into Functional Lipids in Food Chemistry
edited by and Siyu Zhang
submission deadline 30 Nov 2025 | 2 articles | Viewed by 2544 | Submission Open
Keywords: structured lipid; synthesis; crystallization; fatty acid; glyceride  
(This special issue belongs to the Section Food Chemistry)
Synthesis and Application of Multifunctional Nanocomposites
edited by , Yao Yuan and Lulu Xu
submission deadline 30 Nov 2025 | 1 articles | Viewed by 2521 | Submission Open
Keywords: nanocomposites; functional materials; molecules; synthesis; characterization
(This special issue belongs to the Section Nanochemistry)
Functional Crystal Materials: Challenges and Opportunities
edited by
submission deadline 30 Nov 2025 | 1 articles | Viewed by 2496 | Submission Open
Keywords: functional crystal materials; crystal engineering; structure-property relationship; multi stimulus responsive crystals; artificial intelligence; molecular self-assembly; meso-scale
(This special issue belongs to the Section Materials Chemistry)
Natural-Based Sorbents for Water Remediation submission deadline 30 Nov 2025 | 4 articles | Viewed by 2437 | Submission Open
Keywords: natural sorbents; removal of organic or inorganic contaminants from water; physical and chemical characterization of the sorbent; kinetic and equilibrium sorptive tests; evaluation of thermodynamic and kinetic parameters; determination of the actual sorption mechanism
(This special issue belongs to the Section Physical Chemistry)
Opportunities and Challenges in Protein Crystallography
edited by
submission deadline 30 Nov 2025 | 1 articles | Viewed by 2434 | 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)
Functional Materials for Chemical Sensing in Molecules
edited by , and Ming Hou
submission deadline 30 Nov 2025 | 1 articles | Viewed by 2299 | Submission Open
Keywords: functional materials; sensing materials; nanomaterials; composites; design and synthesis; chemical sensing; gas sensors; humidity sensors; biosensors
(This special issue belongs to the Section Materials Chemistry)
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