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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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Energy Materials: Preparation and Application in Electrochemical Energy Storage
edited by Lina Chen
submission deadline 30 Apr 2026 | Viewed by 65 | Submission Open
Keywords: battery; energy materials; energy conversion; electrochemical energy storage; material preparation; renewable energy; novel electrode materials; sustainable materials
(This special issue belongs to the Section Applied Chemistry)
Inclusion Complex: Formation, Structure and Properties
edited by , Wagner De Almeida and
submission deadline 30 Apr 2026 | Viewed by 59 | Submission Open
Keywords: inclusion complex; host– guest interaction; computational chemistry; intermolecular interactions; structural characterization; supramolecular interactions
(This special issue belongs to the Section Molecular Structure)
Computational and Theoretical Insights on Molecular Structure, Solvation, Interactions and New Materials Design, 2nd Edition
edited by
submission deadline 30 Apr 2026 | Viewed by 55 | Submission Open
Keywords: solvation effects; solvation dynamics; designed solvents; intermolecular interactions; molecular modeling; machine learning; materials science; saturated solutions; chemical reactivity; computational techniques
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Organic Fluorescent Dyes and Materials: From Synthesis to Applications in Detection and Bio-Imaging
edited by
submission deadline 30 Apr 2026 | Viewed by 50 | Submission Open
Keywords: fluorescent organic materials; organic synthesis; sensors; bio-imaging; theranostics
(This special issue belongs to the Section Materials Chemistry)
Bioactive Molecules from Natural Sources and Their Functions
edited by Sonia Del Prete and
submission deadline 1 May 2026 | 4 articles | Viewed by 3775 | Submission Open
Keywords: secondary metabolites; primary metabolism; living organisms; function; structure; enzymes; biosynthetic pathways
(This special issue belongs to the Section Medicinal Chemistry)
Recent Developments in Chromatographic Applications in Medicine
edited by Anna Tsantili-Kakoulidou and Fotios Tsopelas
submission deadline 1 May 2026 | 1 articles | Viewed by 2414 | 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)
QSAR and QSPR: Recent Developments and Applications, 5th Edition
edited by
submission deadline 1 May 2026 | Viewed by 111 | Submission Open
Keywords: QSAR/QSPR modelling; development of molecular descriptors; molecular structure representation; data mining; machine learning; regression QSAR/QSPR modelling; classification QSAR/QSPR modelling; model optimization protocols; model validation algorithms; model quality metrics; random accuracy; ensemble QSAR/QSPR modelling; applicability domain; QSAR/QSPR model interpretation; comparative modelling; drug design; drug discovery; environmentally-relevant activity; biological activity; physicochemical property
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Novel Nanomaterials for Photocatalysis submission deadline 15 May 2026 | 1 articles | Viewed by 957 | Submission Open
Keywords: photocatalyst synthesis; band gap engineering; enhanced light absorption; clean energy; advanced oxidation/reduction processes; self-cleaning coatings; photocatalysis reaction mechanisms; artificial photosynthesis
(This special issue belongs to the Section Photochemistry)
Natural Products as Antimicrobial and Anti-Infective Agents
edited by
submission deadline 15 May 2026 | 1 articles | Viewed by 882 | Submission Open
Keywords: antimicrobial activity; natural extracts; natural products; polyphenols; resistant bacteria
(This special issue belongs to the Section Natural Products Chemistry)
Metal Recycling: From Waste to Valuable Resources
edited by María Isabel Martín Hernández
submission deadline 15 May 2026 | Viewed by 363 | Submission Open
Keywords: metal recycling; waste recycling; batteries; mining waste; minerals; post-consumer products; pyrometallurgical and hydrometallurgical techniques; recycling technologies; critical raw materials; li-ion batteries
(This special issue belongs to the Section Green Chemistry)
Natural Compounds: A Lead for Drug Discovery and Development, Second Edition
edited by and
submission deadline 15 May 2026 | Viewed by 92 | Submission Open
Keywords: natural compound; drug lead; drug discovery and development; medicinal chemistry; lead optimization; biological evaluation; natural product chemistry; pharmaceutical analysis
(This special issue belongs to the Section Natural Products Chemistry)
Novel Functional Crystalline Materials: Structure, Properties, and Application
edited by
submission deadline 15 May 2026 | Viewed by 62 | 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)
Natural Bioactives and Functional Ingredients in Foods
edited by
submission deadline 16 May 2026 | 1 articles | Viewed by 719 | Submission Open
Keywords: natural bioactive compounds; functional food ingredients; health-promoting foods; nutraceuticals; food innovation
(This special issue belongs to the Section Food Chemistry)
The State-of-the-Art in Improving the Antitumor Efficacy of Platinum Drugs submission deadline 20 May 2026 | 1 articles | Viewed by 3686 | Submission Open
Keywords: bioinorganic chemistry; metal-based drugs; pt coordination compounds; pharmacodynamics; pharmacokinetics
(This special issue belongs to the Section Medicinal Chemistry)
Application of Organic Synthesis to Bioactive Compounds, 3rd Edition submission deadline 20 May 2026 | Viewed by 101 | Submission Open
Keywords: natural products; organic synthesis; bioactive compounds; chemotherapy; artificial intelligence; chemo-enzymatic
(This special issue belongs to the Section Organic Chemistry)
Design, Modifications, and Medical Application of Polymer-Based Materials
edited by
submission deadline 30 May 2026 | 4 articles | Viewed by 12093 | Submission Open
Keywords: polymer-based materials; synthetic polymers; drug delivery systems; biocompatibility; biomaterials; tissue engineering; wound healing; medical devices
(This special issue belongs to the Section Materials Chemistry)
Biomass Materials in Materials Chemistry: Preparation and Characterization, 2nd Edition
edited by
submission deadline 30 May 2026 | 3 articles | Viewed by 6230 | Submission Open
Keywords: biomass material (including chitosan; chitin; starch; and biomass waste); catalyst; food packing; coating and film; adsorption
(This special issue belongs to the Section Materials Chemistry)
Green Analytical Chemistry: From Sample Preparation to Detection submission deadline 30 May 2026 | 1 articles | Viewed by 5934 | Submission Open
Keywords: green chemistry; green analytical chemistry; green sample preparation; microextraction techniques; pharmaceutical analysis; bioanalysis; metric tools; miniaturization; automated techniques; sustainable analytical workflows
(This special issue belongs to the Section Analytical Chemistry)
Determination, Adsorption and Degradation Mechanisms of Environmental Pollutants
edited by Alina Catrinel Ion
submission deadline 30 May 2026 | 5 articles | Viewed by 5715 | Submission Open
Keywords: environmental pollutants; adsorption mechanisms; degradation pathways; analytical techniques; nanomaterials; heavy metals; organic contaminants
(This special issue belongs to the Section Green Chemistry)
Isolation, Characterization, and Application of Anticancer Agents from Natural Products
edited by and
submission deadline 30 May 2026 | 2 articles | Viewed by 3262 | Submission Open
Keywords: medicinal plants; bioactive phytochemicals; cytotoxic activity; oxidative stress; anticancer potential; mechanism of action; cancer cells
(This special issue belongs to the Section Natural Products Chemistry)
Inorganic Photoelectric Functional Materials: Design, Synthesis and Applications
edited by Luyi Zou
submission deadline 30 May 2026 | 2 articles | Viewed by 2060 | Submission Open
Keywords: photoelectric material; molecular structure; molecular composition; structural performance
(This special issue belongs to the Section Inorganic Chemistry)
30th Anniversary of Molecules—Recent Advances in Ultrasound Chemistry submission deadline 30 May 2026 | Viewed by 567 | 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)
Computational Chemistry Approach for Materials Design
edited by and Lei Zhang
submission deadline 30 May 2026 | Viewed by 440 | Submission Open
Keywords: computational materials; catalysts; DFT calculation; machine learning; energy conversion and storage materials
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Studies in Polymer Degradation
edited by , Edcleide Maria Araujo and Bastos Y. M. De Almeida
submission deadline 30 May 2026 | Viewed by 257 | Submission Open
Keywords: degradation mechanisms; photooxidation; thermal degradation; upcycling technologies and additivities
(This special issue belongs to the Section Macromolecular Chemistry)
Innovative Materials for Wastewater Treatment Applications
edited by , and
submission deadline 30 May 2026 | Viewed by 218 | Submission Open
Keywords: wastewater treatment; heavy metal removal; adsorption and ion exchange; metal– organic frameworks (MOFs); metal sulfide sorbents; nanomaterials; functionalized composites; emerging pollutants
(This special issue belongs to the Section Materials Chemistry)
Emerging Contaminants and Their Transformation Products in the Environment: Advanced Analytical Methods for Assessing Ecological and Human Health Impacts
edited by
submission deadline 30 May 2026 | Viewed by 143 | Submission Open
Keywords: emerging contaminants; transformation products; analytical methods; ecological impact; human health risk; contaminant fate; environmental monitoring
(This special issue belongs to the Section Analytical Chemistry)
Advancing Polyethylene Glycol as a Green Solvent in Chemical and Engineering Applications
edited by
submission deadline 30 May 2026 | Viewed by 105 | Submission Open
Keywords: polyethylene glycol; PEGylated chemicals; fundamental research on PEG; PEG as a chemical solvent; PEG in deep eutectic solvents; PEG in mixed solvents; PEG centered applications
(This special issue belongs to the Section Molecular Liquids)
Flavors and Fragrances in China
edited by
submission deadline 30 May 2026 | Viewed by 92 | Submission Open
Keywords: Chinese foods; flavor chemistry; flavor analysis; GC– MS/olfactometry; Chinese baijiu
(This special issue belongs to the Section Flavours and Fragrances)
Effect of Natural Products in the Cancer Therapy Mechanism—2nd Edition
edited by
submission deadline 30 May 2026 | Viewed by 89 | Submission Open
Keywords: anticancer activities; therapeutic potential of plants; phytochemicals; natural products; apoptosis; metastasis; angiogenesis; molecular mechanisms; alkaloids; terpenoids; polyphenols
(This special issue belongs to the Section Chemical Biology)
Recent Advances in Protein Crystallography Methods and Instrumentation
edited by
submission deadline 30 May 2026 | Viewed by 56 | Submission Open
Keywords: protein crystallography; advanced crystallization techniques; advanced X-ray sources; X-ray free-electron lasers (XFELs); fourth-generation high-brilliance synchrotrons; microcrystals and nanocrystals; radiation damage; time-resolved experiments; cryo-electron microscopy (cryo-EM); advanced crystallization techniques; lipid cubic phase (LCP); microseed matrix screening (MMS); langmuir– Blodgett nanotemplate (LBNT); ultrasound and microwave-assisted crystallization; electro-crystallization; controlled evaporative crystallization; nanocrystallization
(This special issue belongs to the Section Chemical Biology)
Computational Approaches in Antimicrobial and Antiviral Drug Discovery: Deciphering Drug Binding and Molecular Mechanisms
edited by , and Simone La Frazia
submission deadline 31 May 2026 | 7 articles | Viewed by 15470 | 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)
Current Research Status of Metal-Organic Frameworks and Covalent Organic Frameworks
edited by Teng Zhang and Wenju Wang
submission deadline 31 May 2026 | 6 articles | Viewed by 15250 | Submission Open
Keywords: gas separation; gas storage; catalyst; chemical sensing; biological application; energy storage
(This special issue belongs to the Section Materials Chemistry)
Biologically Active Molecules: Extraction Strategies, Therapeutic Potential and Biomedical Perspective
edited by
submission deadline 31 May 2026 | 7 articles | Viewed by 10201 | Submission Open
Keywords: natural bioactive components; extraction techniques; therapeutic and biomedical profiling
(This special issue belongs to the Section Medicinal Chemistry)
Featured Review Papers in Food Chemistry—2nd Edition
edited by
submission deadline 31 May 2026 | 4 articles | Viewed by 9328 | Submission Open
Keywords: food analysis; food additives; food supplements; functional foods; physicochemical properties; agro-food wastes recycling; bioaccessibility and bioavailability; food stability; food security
(This special issue belongs to the Section Food Chemistry)
Emerging Multifunctional Materials for Next-Generation Energy Systems
edited by and Shicong Yang
submission deadline 31 May 2026 | 5 articles | Viewed by 8803 | 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)
Advanced Analytical Tools for Characterization and Quality Control of Food, Drugs, and Natural Active Ingredients, 3rd Edition submission deadline 31 May 2026 | 5 articles | Viewed by 8341 | Submission Open
Keywords: authentication; classification; pharmaceutical drugs; food; quality control; natural products; geographical origin; chemometrics
(This special issue belongs to the Section Analytical Chemistry)
Virgin Olive Oil: Processing, Byproducts, Quality Control, and Nutraceutical Profile—3rd Edition submission deadline 31 May 2026 | 3 articles | Viewed by 7818 | Submission Open
Keywords: virgin olive oil quality authentication; byproduct management; volatile compounds; phenolic compounds; sensory analysis; health-promoting properties; biological activity; authentication of origin; innovative extraction processes
(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 31 May 2026 | 6 articles | Viewed by 7552 | 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)
New Strategies for Drug Development
edited by and Ariel Marchlewicz
submission deadline 31 May 2026 | 4 articles | Viewed by 7383 | Submission Open
Keywords: drugs; biosynthesis; biotransformation; natural products; biological activity; bioactive compounds; structure– activity relationship; drug development
(This special issue belongs to the Section Medicinal Chemistry)
(Mass Spectrometric) Non Target Screening–Techniques and Strategies: Volume II
edited by
submission deadline 31 May 2026 | 5 articles | Viewed by 7119 | Submission Open
Keywords: mass spectrometric non-target screening; NTS workflows; NTS strategies; NTS techniques (separation; ionization; detection); HPLC; SFC; GC; CE; HRMS; MS/MS; NTS software solutions; NTS open access software; NTS data evaluation; NTS and quality management
(This special issue belongs to the Section Analytical Chemistry)
Small Molecule Drug Discovery and Development to Face Neurodegenerative Threads submission deadline 31 May 2026 | 4 articles | Viewed by 6944 | 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)
Advances in Food Analytical Methods
edited by Yahui Guo
submission deadline 31 May 2026 | 5 articles | Viewed by 5373 | 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)
Active Ingredients in Functional Foods and Their Impact on Health, 2nd Edition submission deadline 31 May 2026 | 3 articles | Viewed by 5234 | Submission Open
Keywords: functional foods; active ingredients; bioactive compounds; health impact; nutraceuticals; dietary patterns; personalized nutrition
(This special issue belongs to the Section Food Chemistry)
Phytochemistry, Antioxidants, and Anti-Diabetes
edited by , Gordana Rusak and
submission deadline 31 May 2026 | 2 articles | Viewed by 4807 | Submission Open
Keywords: bioactive compounds; natural antioxidants; plant extracts; functional foods; nutraceuticals; diabetes
(This special issue belongs to the Section Natural Products Chemistry)
5th Anniversary of the "Applied Chemistry" Section
edited by
submission deadline 31 May 2026 | 4 articles | Viewed by 4707 | Submission Open
Keywords: applied chemistry; new molecules and natural materials; solar energy and photo-electro-catalysis; analytical methods and techniques; electrochemistry and energy; biodegradable materials and medicines; environment and green chemistry
(This special issue belongs to the Section Applied Chemistry)
Antimicrobial Compounds and Biocontrol Strategies in Food Microbiology and Safety submission deadline 31 May 2026 | 2 articles | Viewed by 4611 | Submission Open
Keywords: antimicrobial compound; natural; synthetic; microbial; application; biocontrol; food; crop; agricultural; pathogenic; spoilage; bacteria; mold; in vitro; in vivo; mechanisms of action; membrane disruption; enzyme inhibition; interference with microbial communication; resistance management
(This special issue belongs to the Section Food Chemistry)
Bioactive Compounds for Brain Ischemia and Neurodegenerative Disease—3rd Edition submission deadline 31 May 2026 | 3 articles | Viewed by 4505 | Submission Open
Keywords: brain; neuroprotection; neurodegenerative diseases; ischemia; mitochondria; oxidative stress; inflammation; bioactive compounds
(This special issue belongs to the Section Medicinal Chemistry)
Advanced Materials for Photocatalytic and Photoelectrocatalytic Water-Splitting submission deadline 31 May 2026 | 2 articles | Viewed by 4247 | Submission Open
Keywords: photocatalysis; photoelectrocatalysis; water splitting; bandgap engineering; semiconductor materials; visible-light-driven catalysis
(This special issue belongs to the Section Materials Chemistry)
Development and Design of Novel Electrode Materials
edited by
submission deadline 31 May 2026 | 3 articles | Viewed by 4223 | Submission Open
Keywords: electrode materials; supercapacitors; batteries; electrocatalysis; photovoltaic materials
(This special issue belongs to the Section Electrochemistry)
Functional Heterocyclic Compounds with Outstanding Biological Activities submission deadline 31 May 2026 | 2 articles | Viewed by 4222 | Submission Open
Keywords: pharmaceutical chemistry; bioactive heterocyclic compounds; antitumor extracts; plant extract– synthetic substances associations; biocompatibility; nontoxicity
(This special issue belongs to the Section Medicinal Chemistry)
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