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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 Lactam Chemistry: From Synthetic Strategies to Biological Applications
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 2027 | 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)
Recent Advances in Peptide Assembly and Bioactivity
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1958 | Submission Open
Keywords: peptide; self-assembly; co-assembly; stimuli-responsive; bioactivity; biomaterials
(This special issue belongs to the Section Bioorganic Chemistry)
Progress in Green Analytical Methods for the Detection of Trace Substances in Complex Matrices submission deadline 31 Dec 2026 | 2 articles | Viewed by 1885 | Submission Open
Keywords: green analytical chemistry; greenness evaluation metrics; integrated analytical platforms; miniaturized sample preparation; green materials for sample pre-treatment; on-line and in-line sampling; automatization
(This special issue belongs to the Section Analytical Chemistry)
Deep Eutectic Solvents: Properties, Applications and Perspectives submission deadline 31 Dec 2026 | 2 articles | Viewed by 1883 | Submission Open
Keywords: green chemistry; deep eutectic systems; physico-chemical properties; thermodynamic modelling; application development; extraction; biocatalysis; CO2 capture; electrochemistry
(This special issue belongs to the Section Green Chemistry)
Synthesis and Characterization of Hybrid Biomaterials for Life Sciences submission deadline 31 Dec 2026 | 2 articles | Viewed by 1816 | Submission Open
Keywords: hybrid material; biomaterials; drug release; antimicrobial test; chemical characterization; natural polymers; bioactivity assessment; bioactivity
(This special issue belongs to the Section Materials Chemistry)
Bioactive Molecules from Natural Reservoirs: Discovery, Synthesis, and Translational Applications in Health and Food
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1784 | 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)
Organic and Inorganic Luminescent Materials, 3rd Edition
edited by , Dan Zou and Xibao Zhang
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1754 | 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)
Exploring Physical Chemistry Processes in Chemical Engineering: From Analysis to Application submission deadline 31 Dec 2026 | 2 articles | Viewed by 1705 | 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 Density Functional Theory (DFT) Calculation, 2nd Edition submission deadline 31 Dec 2026 | 4 articles | Viewed by 1660 | 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)
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 | 2 articles | Viewed by 1555 | 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)
One Health Drugs Against Vector-Borne Parasitic Diseases—a Sustainable Chemical/Biological Approach submission deadline 31 Dec 2026 | 1 articles | Viewed by 1524 | Submission Open
Keywords: vector-borne diseases; parasitic diseases; antiparasitic drugs; transmission-blocking drugs; chemotherapy; drug resistance; drug repurposing; pharmacokinetics; natural products; organic production; host-directed therapy; combination therapy; in vitro/in vivo models; drug delivery systems; nanomedicine; pharmacodynamics
(This special issue belongs to the Section Medicinal Chemistry)
Advances in the Synthesis of Heterocyclic Compounds and Their Applications, 2nd Edition
edited by and Ionel Mangalagiu
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1431 | Submission Open
Keywords: biomimetics and new chemical entities (NCEs); domino reactions; "intelligent" molecules; iterative synthesis; multicomponent reactions; organic (nano-)materials; organo-catalytic systems; selective processes; total synthesis; unconventional methods and techniques
(This special issue belongs to the Section Organic Chemistry)
Molecular Dynamics Simulations: Applications and Advances
edited by and Godehard Sutmann
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1425 | 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)
Novel Functional Crystalline Materials: Structure, Properties, and Application
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1367 | 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)
Advances in Remediation Methods of Pharmaceutical Pollutants in Water submission deadline 31 Dec 2026 | 1 articles | Viewed by 1294 | 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)
Recent Advances in Fermentation in Food Chemistry
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1249 | 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)
Functional Polysaccharide Systems: From Molecular Interactions to Innovative Applications
edited by Sławomir Pietrzyk and Karolina Królikowska
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1193 | 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)
Chemical Functionalization of Nanoparticles for Biomedical Applications
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1159 | Submission Open
Keywords: functionalized nanoparticles; nanomedicine; targeted drug delivery; bioimaging; theranostics; nano-bio interactions; biomaterials; translational nanotechnology
(This special issue belongs to the Section Nanochemistry)
Integration of Chemical, Biotechnological, and Process Engineering Tools for Sustainable and Circular Food Manufacturing submission deadline 31 Dec 2026 | 1 articles | Viewed by 1144 | Submission Open
Keywords: sustainability; circular economy; food manufacturing; green chemistry; bioprocess engineering; biotechnology; process intensification; waste valorization; enzyme technology
(This special issue belongs to the Section Food Chemistry)
Chemical Compounds or Agents Against Parasites, Bacteria, and Neglected Tropical Diseases
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1097 | Submission Open
Keywords: chemical compounds; resistance; NTDs; targets
(This special issue belongs to the Section Medicinal Chemistry)
Light and Electric Field Driven Catalysis for Sustainable Energy and Environment
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1073 | 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)
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 1040 | 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)
Advancements in Enzyme Immobilization Techniques submission deadline 31 Dec 2026 | Viewed by 1003 | 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 987 | 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)
Challenges in Food Flavor and Volatile Compounds Analysis, the Second Edition submission deadline 31 Dec 2026 | 1 articles | Viewed by 984 | 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)
The Development of Photosensitizers and Photodynamic Medicine
edited by and
submission deadline 31 Dec 2026 | Viewed by 961 | 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)
Doping Strategies for Carbon-Based Electrocatalysts
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 953 | Submission Open
Keywords: carbons; p-doping; n-doping; Fermi level engineering; electrocatalysis; electrochemical sensors; energy conversion and storage; environmental remediation
(This special issue belongs to the Section Electrochemistry)
Sprouts and Microgreens as Functional Foods: Phytochemistry, Mechanisms of Action, and Biological Activity
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 951 | Submission Open
Keywords: sprouts; microgreens; phytochemicals; abiotic stress; LED light; bioactive compounds; antioxidant activity; in vitro studies; functional foods
(This special issue belongs to the Section Natural Products Chemistry)
Inclusion Complex: Formation, Structure and Properties
edited by , Wagner De Almeida and
submission deadline 31 Dec 2026 | 1 articles | Viewed by 946 | 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)
Nanocarriers for Diagnostics, Imaging and Drug Delivery
edited by Jie Pan and Yonghui Liu
submission deadline 31 Dec 2026 | 1 articles | Viewed by 927 | Submission Open
Keywords: nanocarriers; diagnostics; imaging; drug delivery; targeted therapy
(This special issue belongs to the Section Nanochemistry)
Challenges and Advances in Green Analytical Chemistry submission deadline 31 Dec 2026 | 1 articles | Viewed by 888 | Submission Open
Keywords: green analytical chemistry; miniaturized extraction; nanomaterials; chromatography; mass spectrometry; environmental analysis; food analysis; bioanalytical chemistry; sustainability; novel methods
Anticancer Drugs: Design, Synthesis, and Anticancer Activity
edited by Yusuf Tutar
submission deadline 31 Dec 2026 | 1 articles | Viewed by 861 | 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)
Advanced Nanomaterials for Energy Storage Devices, 2nd Edition
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 841 | 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)
Recent Advances in Circularly Polarized Luminescence Materials
edited by and Biao Zhao
submission deadline 31 Dec 2026 | 1 articles | Viewed by 837 | Submission Open
Keywords: circularly polarized luminescence; chirality; small molecules; polymers; chiral liquid crystals; self-assembled materials; optoelectronics; information security
(This special issue belongs to the Section Materials Chemistry)
Advances in Polymeric Systems Loaded with Natural Bioactive Compounds submission deadline 31 Dec 2026 | 1 articles | Viewed by 820 | 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)
Synthesis, Modification, and Bioactive Evaluation of Peptides and Their Analogs
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 775 | Submission Open
Keywords: biologically active peptides; bioconjugates with peptides; peptide ligands; biological activity; non-proteinogenic amino acids; peptide mimetics
(This special issue belongs to the Section Chemical Biology)
Chemical Compositions and Bioactivities of Foods, 2nd Edition
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 763 | Submission Open
Keywords: foods; phytochemicals; biophytochemicals; food bioactives; chemical compositions; functional foods; dietary supplements; medical foods; biological pathway; molecular mechanisms
(This special issue belongs to the Section Food Chemistry)
Advanced Pharmaceutical Analytical Technology—2nd Edition submission deadline 31 Dec 2026 | 1 articles | Viewed by 755 | Submission Open
Keywords: pharmaceutical; quality by design; design of experiments; analytical method; validation; development and optimization; quality control samples
(This special issue belongs to the Section Analytical Chemistry)
Impact of Aromatic Plants and Their Extracts on Insect Models for Nutritional, Medicinal, and Crop Protection Research submission deadline 31 Dec 2026 | 1 articles | Viewed by 737 | Submission Open
Keywords: aromatic plants; bioactive extracts; volatiles; insect models; edible insects; olfaction; bioinsecticides
(This special issue belongs to the Section Natural Products Chemistry)
Food Fraud, Adulteration, and Contamination: Challenges, Detection Strategies, and Prevention
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 736 | Submission Open
Keywords: food safety; food quality; food adulteration; sample preparation; emerging food contaminants; quality monitoring; mass spectrometry; chromatography; food authentication; trace analysis; analytical methods
(This special issue belongs to the Section Food Chemistry)
Inhibitors in Cancer Therapy submission deadline 31 Dec 2026 | 1 articles | Viewed by 715 | Submission Open
Keywords: cancer therapy; small-molecule inhibitors; medicinal chemistry; drug design; computer-aided drug design (CADD); molecular docking; molecular dynamic simulations; enzyme inhibitors; anticancer drug discover; cancer-related targets
(This special issue belongs to the Section Medicinal Chemistry)
Advances in Plant-Sourced Natural Compounds as Anticancer Agents, 2nd Edition submission deadline 31 Dec 2026 | Viewed by 698 | Submission Open
Keywords: medicinal plants; natural compounds; phytochemicals; antioxidant activity; anticancer activity; phytotherapy; drug discovery; drug delivery; pharmaceutical formulation
(This special issue belongs to the Section Natural Products Chemistry)
Advanced Molecular Detection and Health Risk Evaluation: From Food Hazards to Disease Biomarkers
edited by and
submission deadline 31 Dec 2026 | 1 articles | Viewed by 697 | Submission Open
Keywords: molecular detection; foodborne hazards; emerging contaminants; toxicity mechanisms; nuclear receptors; health risk evaluation; cancer biomarkers
(This special issue belongs to the Section Analytical Chemistry)
Optical Functional Materials: Design, Synthesis and Applications
edited by Tamara Potlog and
submission deadline 31 Dec 2026 | 1 articles | Viewed by 682 | Submission Open
Keywords: optical; design; synthesis; application; material; physical; structural; inorganic; organic; hybrid; solid-state laser; thin film; nonlinear; mechanistic; optimization
(This special issue belongs to the Section Materials Chemistry)
Applied Analytical Chemistry: Third Edition submission deadline 31 Dec 2026 | 1 articles | Viewed by 643 | 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)
MOF-Based Catalysts for CO2 Capture and Conversion
edited by Ning Liu and
submission deadline 31 Dec 2026 | 1 articles | Viewed by 639 | Submission Open
Keywords: metal–organic frameworks (MOFs); CO2 capture and conversion; heterogeneous catalysis; sustainable catalysis; porous materials; green chemistry; structure–activity relationship; carbon utilization
(This special issue belongs to the Section Materials Chemistry)
Recent Advances of Biochar in Wastewater Treatment submission deadline 31 Dec 2026 | 1 articles | Viewed by 636 | Submission Open
Keywords: biochar; wastewater treatment; adsorption; hybrid treatment; sorbent; catalyst; composite; heavy metals; nutrients; pharmaceuticals; circular economy; life cycle assessment
(This special issue belongs to the Section Applied Chemistry)
Exclusive Contributions by the Editorial Board Members (EBMs) of the Organic Chemistry Section of Molecules, 2nd Edition
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 604 | Submission Open
Keywords: organic compounds; organic synthesis; organic reaction; click chemistry; organocatalysis
(This special issue belongs to the Section Organic Chemistry)
Tautomerism and Proton Transfer—Fundamental Aspects and Applicability
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 590 | 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)
Challenges in Green Analytical Chemistry submission deadline 31 Dec 2026 | Viewed by 570 | 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
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