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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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Medicinal Value of Natural Bioactive Compounds and Plant Extracts, 3rd Edition submission deadline 30 Nov 2025 | 4 articles | Viewed by 2941 | 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)
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 2718 | 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 Analytical Tools for Characterization and Quality Control of Food, Drugs, and Natural Active Ingredients, 3rd Edition submission deadline 30 Nov 2025 | 2 articles | Viewed by 2439 | Submission Open
Keywords: authentication; classification; pharmaceutical drugs; food; quality control; natural products; geographical origin; chemometrics
(This special issue belongs to the Section Analytical Chemistry)
Advanced Polymer Nanocomposites for Energy Applications for a Sustainable Environment submission deadline 30 Nov 2025 | 1 articles | Viewed by 2152 | 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)
Functional Crystal Materials: Challenges and Opportunities
edited by
submission deadline 30 Nov 2025 | 1 articles | Viewed by 1923 | 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)
Advances in 2D Materials for Electrochemical Applications
edited by Le Li, Dan Zhang and
submission deadline 30 Nov 2025 | 2 articles | Viewed by 1914 | 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 1884 | Submission Open
Keywords: functional nanomaterials; biosensors; food safety; biomedicine analysis; disease diagnosis
(This special issue belongs to the Section Applied Chemistry)
Synthesis and Application of Multifunctional Nanocomposites
edited by , Yao Yuan and Lulu Xu
submission deadline 30 Nov 2025 | 1 articles | Viewed by 1669 | Submission Open
Keywords: nanocomposites; functional materials; molecules; synthesis; characterization
(This special issue belongs to the Section Nanochemistry)
Small Molecule Drug Discovery and Development to Face Neurodegenerative Threads submission deadline 30 Nov 2025 | 2 articles | Viewed by 1441 | 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)
Extraction and Antioxidant Activity of Bee Products submission deadline 30 Nov 2025 | 2 articles | Viewed by 1289 | 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)
Molecular Insights into Functional Lipids in Food Chemistry
edited by and Siyu Zhang
submission deadline 30 Nov 2025 | 2 articles | Viewed by 1181 | 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 | 2 articles | Viewed by 1049 | Submission Open
Keywords: fluorescence technology; food analysis; probes; sensors; imaging techniques; food safety; quality control
(This special issue belongs to the Section Food Chemistry)
Novel Antimicrobial Molecules Derived from Natural Sources submission deadline 30 Nov 2025 | Viewed by 888 | Submission Open
Keywords: antibiotics; mechanism of action; plant antimicrobials; animal antimicrobials; chemical characterization; bacteriocins
(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 | 2 articles | Viewed by 847 | Submission Open
Keywords: antioxidants; non-communicable diseases; vegetables; fruit; free radicals
(This special issue belongs to the Section Natural Products Chemistry)
Metal Complexes: Synthesis, Characterization and Applications submission deadline 30 Nov 2025 | 1 articles | Viewed by 841 | Submission Open
Keywords: coordination compounds; synthetic strategies; magnetic properties; optical properties; metallodrugs; catalysis
(This special issue belongs to the Section Organometallic Chemistry)
Advances in Electrochemical Reactions, Mechanisms and Sensing Applications submission deadline 30 Nov 2025 | 1 articles | Viewed by 803 | Submission Open
Keywords: electrochemical reactions; reaction mechanisms; electrocatalysis; electrochemical sensing; organic and organometallic compounds; analytical electrochemistry
(This special issue belongs to the Section Electrochemistry)
Food Bioactive Compounds: Chemical Challenges and Opportunities, 2nd Edition submission deadline 30 Nov 2025 | 1 articles | Viewed by 757 | Submission Open
Keywords: bioactive compounds; non-conventional extraction techniques; modern analytical methods; authenticity; molecular mechanism; functional properties; antimicrobial; antitumoral; anti-inflammatory; and antioxidant properties
(This special issue belongs to the Section Cross-Field Chemistry)
Design, Synthesis and Evaluation of Novel Anticancer Agents, 2nd Edition submission deadline 30 Nov 2025 | 1 articles | Viewed by 725 | Submission Open
Keywords: anticancer agents; medicinal chemistry; heterocycles; azines; azoles
(This special issue belongs to the Section Medicinal Chemistry)
Exploring the Therapeutic Potential of Peptides in Anti-Cancer Treatments submission deadline 30 Nov 2025 | 1 articles | Viewed by 561 | Submission Open
Keywords: anticancer peptides; antimicrobial peptides; cell-penetrating peptides; therapeutic peptides; cancer vaccine; theranostics; peptidomimetics; anticancer drugs; metal– peptide drugs
(This special issue belongs to the Section Medicinal Chemistry)
Extraction of Plant-Derived Bioactives: Impacts on Human Health and Pharmacological Applications
edited by
submission deadline 30 Nov 2025 | 1 articles | Viewed by 543 | 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)
Bioactive Compounds Encapsulation System: Design and Applications
edited by
submission deadline 30 Nov 2025 | 1 articles | Viewed by 534 | Submission Open
Keywords: bioactive compounds; encapsulation; nanocarriers; bioavailability; targeted delivery; drug delivery; functional foods
(This special issue belongs to the Section Food Chemistry)
Inorganic Photoelectric Functional Materials: Design, Synthesis and Applications
edited by Luyi Zou
submission deadline 30 Nov 2025 | 1 articles | Viewed by 488 | Submission Open
Keywords: photoelectric material; molecular structure; molecular composition; structural performance
(This special issue belongs to the Section Inorganic Chemistry)
Advanced Oxidation of Emerging Pollutants in Water
edited by Rongfang Yuan
submission deadline 30 Nov 2025 | 1 articles | Viewed by 452 | Submission Open
Keywords: advanced oxidation; photocatalytic oxidation; photoelectrocatalytic processes; ultrasonic irradiation; peroxymonosulfate activation; emerging pollutants; water treatment
(This special issue belongs to the Section Green Chemistry)
Nanomaterials for Biomedicine: Innovations and Challenges
edited by and
submission deadline 30 Nov 2025 | 1 articles | Viewed by 428 | Submission Open
Keywords: nanomaterial; targeted drug delivery; bio-imaging; antimicrobial application; cancer immunotherapy; nanovaccine
(This special issue belongs to the Section Nanochemistry)
Natural-Based Sorbents for Water Remediation submission deadline 30 Nov 2025 | 1 articles | Viewed by 334 | 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)
Harnessing Nature’s Chemical Diversity: Innovations in Isolation, Identification, and Synthesis
edited by Niko Radulović and
submission deadline 30 Nov 2025 | 1 articles | Viewed by 309 | 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)
30th Anniversary of Molecules—Recent Advances in Ultrasound Chemistry submission deadline 30 Nov 2025 | Viewed by 304 | Submission Open
Keywords: ultrasound; hydrodynamic cavitation; sonochemistry; sonocrystallisation; sono processing; sono extraction; applications in chemical engineering
(This special issue belongs to the Section Ultrasound Chemistry)
Advanced Removal of Emerging Pollutants and Its Mechanism
edited by , and Dorin Bombos
submission deadline 30 Nov 2025 | Viewed by 297 | Submission Open
Keywords: emerging contaminants; adsorption interactions; microbial biodegradation; pollutant removal efficiency; innovative technologies
(This special issue belongs to the Section Green Chemistry)
Innovative and Sustainable Enzymatic Strategies Towards Chiral Products
edited by Enikő Forró and
submission deadline 30 Nov 2025 | Viewed by 243 | Submission Open
Keywords: dynamic kinetic resolution; enzyme catalyzed transformation; green technology; kinetic resolution; pharmaceutically important enantiomers; sequential kinetic resolution; sustainable enzymatic strategy
(This special issue belongs to the Section Green Chemistry)
Photo- and Electro-Catalysts for Carbon Neutrality
edited by Niantzu Suen and Jianhua Hou
submission deadline 30 Nov 2025 | Viewed by 235 | Submission Open
Keywords: photocatalyst; electrocatalyst; hydrogen evolution reaction; CO2 reduction; carbon neutrality; heterogeneous catalyst; renewable energy
(This special issue belongs to the Section Materials Chemistry)
Advanced Nanomaterials for Electrocatalysis
edited by
submission deadline 30 Nov 2025 | Viewed by 233 | Submission Open
Keywords: water spitting; HER; OER; AOP; fuel cell; alcohol oxidation; energy conversion; electrocatalysis
(This special issue belongs to the Section Cross-Field Chemistry)
Quantum Chemical Calculations of Molecular Reaction Processes, 2nd Edition
edited by and Shiro Koseki
submission deadline 30 Nov 2025 | 1 articles | Viewed by 230 | 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)
Purposeful Assembly and Versatile Applications of Advanced Crystalline Frameworks
edited by
submission deadline 30 Nov 2025 | Viewed by 200 | 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)
Design, Synthesis and Performance Evaluation of Advanced Metal Catalysts
edited by Xinbao Li
submission deadline 30 Nov 2025 | Viewed by 188 | Submission Open
Keywords: metal catalysts; catalyst design; innovative synthesis; performance evaluation; catalytic mechanism
(This special issue belongs to the Section Materials Chemistry)
New Perspective on Polysaccharides: From Isolation to Biological Evaluation
edited by and Zhiqiang Xiong
submission deadline 30 Nov 2025 | Viewed by 169 | Submission Open
Keywords: extraction methodology; separation technology; bioactivities; biological evaluation; polysaccharides
(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 159 | 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)
Photo- and Electro-Chemical Synthesis and Their Combined Processes submission deadline 30 Nov 2025 | Viewed by 157 | Submission Open
Keywords: photoelectrochemical; electrochemical; synthesis; hydrogen; valuable compounds; energy production and conversion; CO2; fuels
(This special issue belongs to the Section Electrochemistry)
A Themed Issue in Honor of the 20th Anniversary of the Mexican Academy of Organic Chemistry (AMQO)
edited by Ivan Romero-Estudillo, , Alicia Boto and
submission deadline 30 Nov 2025 | Viewed by 155 | Submission Open
Keywords: organic chemistry; chemistry process; chemistry; chemical science; science in Mexico
(This special issue belongs to the Section Organic Chemistry)
Cross-Coupling Strategies for the Synthesis of Functionalized Organic Compounds
edited by Xiaobo Pang and Han-jun Ai
submission deadline 30 Nov 2025 | Viewed by 147 | Submission Open
Keywords: cross-coupling; transition metal catalysis; palladium catalysis; copper catalysis; nickel catalysis; C– N bond formation; C– C bond formation; photoredox; electrochemistry; organic synthesis; functionalized molecules; catalytic mechanisms; green chemistry
(This special issue belongs to the Section Organic Chemistry)
Advances in Anticancer Activity of Natural Products and Related Compounds
edited by
submission deadline 30 Nov 2025 | Viewed by 138 | 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)
Extraction and Analysis of Natural Products in Food—3rd Edition submission deadline 30 Nov 2025 | Viewed by 137 | 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)
Chemical Research on Photosensitive Materials, 2nd Edition
edited by Shengjie Wang
submission deadline 30 Nov 2025 | Viewed by 128 | Submission Open
Keywords: photosensitive materials; photochromic materials; photoluminescence materials; photothermal materials; photovoltaic materials; photocatalysts
(This special issue belongs to the Section Materials Chemistry)
Biopolymers for Drug Delivery Systems
edited by and Petra Arany
submission deadline 30 Nov 2025 | Viewed by 120 | Submission Open
Keywords: drug delivery systems; biopolymers; personalized medication; nanoparticle; hydrogel; 3D printing
(This special issue belongs to the Section Medicinal Chemistry)
Bioactive Properties and Chemical Composition of Wild Edible Species, 2nd Edition
edited by Spyridon Petropoulos
submission deadline 30 Nov 2025 | Viewed by 111 | 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)
Bioinorganic Chemistry of Metal Ions submission deadline 30 Nov 2025 | Viewed by 104 | Submission Open
Keywords: metalloproteins; metalloenzymes; metal clusters; metal– organic frameworks; oxygen-evolving Mn4CaO5 cluster; drug targets; metal-associated pathologies
(This special issue belongs to the Section Inorganic Chemistry)
Recent Developments in Chromatographic Applications in Medicine
edited by Anna Tsantili-Kakoulidou and Fotios Tsopelas
submission deadline 30 Nov 2025 | Viewed by 103 | Submission Open
Keywords: chromatography; drug development; quality control; quantitative structure– retention relationships (QSRRs); quantitative retention– property relationships (QRPRs); chemometrics; adsorption– distribution– metabolism– excretion– toxicity (ADMET properties)
(This special issue belongs to the Section Analytical Chemistry)
Advances in Molecular Electric, Magnetic and Optical Properties submission deadline 30 Nov 2025 | Viewed by 103 | Submission Open
Keywords: optical properties; magnetic properties; electrical and dielectrical properties; molecular interactions; spectroscopic characterization; molecular vibrations; complex molecules
(This special issue belongs to the Section Molecular Structure)
Modern Sample Preparation Approaches for Separation Science, 2nd Edition
edited by
submission deadline 30 Nov 2025 | Viewed by 99 | 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 98 | 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)
Development and Applications of Single-Atom Catalysts
edited by and Jin Xie
submission deadline 30 Nov 2025 | Viewed by 97 | 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)
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