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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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Design and Application of Nanomaterials for Photocatalytic Degradation
edited by Aleksandra R. Zarubica and Radomir B. Ljupković
submission deadline 28 Feb 2027 | 1 articles | Viewed by 457 | Submission Open
Keywords: nanomaterials design; nanomaterial photocatalysts; nanomaterials synthesis; photocatalysis; environmental pollution; photodegradation; material characterization
(This special issue belongs to the Section Nanochemistry)
Research and Application of Plant Sourced Polysaccharides—3rd Edition
edited by
submission deadline 28 Feb 2027 | Viewed by 452 | Submission Open
Keywords: polysaccharide; characterization; structure; physiochemical properties; functional activity
(This special issue belongs to the Section Natural Products Chemistry)
Biocatalysis in Deep Eutectic Solvents: Stability, Immobilization and Applications submission deadline 28 Feb 2027 | Viewed by 434 | Submission Open
Keywords: biocatalysis; deep eutectic solvents; enzyme stability; enzyme selectivity; enzyme immobilization; reaction medium; enzymatic reactors; enzyme molecular dynamics
(This special issue belongs to the Section Green Chemistry)
Molecular Docking, Molecular Dynamics and Antiparasitic Evaluations of Natural Products
edited by and Márcia Machado Marinho
submission deadline 28 Feb 2027 | Viewed by 414 | Submission Open
Keywords: natural products; molecular docking; molecular dynamics; antiprotozoal; virtual screening; drug discovery
(This special issue belongs to the Section Natural Products Chemistry)
Transition-Metal-Catalyzed Cross-Coupling: From Classical Methods to Modern Advances submission deadline 28 Feb 2027 | Viewed by 409 | Submission Open
Keywords: cross-coupling; transition-metal catalysis; palladium catalysis; earth-abundant metals; nickel catalysis; copper catalysis; cobalt catalysis; iron catalysis; gold catalysis; ligand design
(This special issue belongs to the Section Organometallic Chemistry)
Bioactive Compounds and Phytochemical Diversity as Quality Traits in Horticultural Crops submission deadline 28 Feb 2027 | 1 articles | Viewed by 405 | Submission Open
Keywords: bioactive compounds; phytochemical diversity; phytochemical profiling; horticultural crops; natural products chemistry; plant secondary metabolites; metabolomics; analytical characterization; antioxidant activity; quality traits
(This special issue belongs to the Section Natural Products Chemistry)
Lipid Oxidation and Flavor in Foods submission deadline 28 Feb 2027 | Viewed by 405 | Submission Open
Keywords: lipid oxidation; food flavor; bioactive compounds in food
(This special issue belongs to the Section Food Chemistry)
New Horizons in Drug Repurposing submission deadline 28 Feb 2027 | Viewed by 382 | Submission Open
Keywords: drug discovery; drug repositioning; drug repurposing; genetic diseases; rare diseases; cancer; orphan drugs
(This special issue belongs to the Section Medicinal Chemistry)
Phytochemicals in Medicinal Plants: From Extraction to Bioactivity submission deadline 28 Feb 2027 | Viewed by 382 | Submission Open
Keywords: medicinal plants; phytochemicals; bioactive compounds; extraction strategies; phytochemical profiling; biological activities; health applications; nutraceuticals
(This special issue belongs to the Section Natural Products Chemistry)
Advanced Structured Catalysts for Sustainable Chemical Transformations submission deadline 28 Feb 2027 | Viewed by 371 | Submission Open
Keywords: structured catalysts; sustainability; porous materials; CO2 utilization; CO2 valorization; biomass conversion; green chemical processes; structure–catalytic performance relationships; shaped catalysts; photocatalysis; electrocatalysis
(This special issue belongs to the Section Green Chemistry)
Metal Complexes: Synthesis, Characterization and Reactivity
edited by Sibel Demir Kanmazalp and
submission deadline 28 Feb 2027 | Viewed by 358 | Submission Open
Keywords: metal complexes; coordination chemistry; synthesis; X-ray diffraction; DFT; molecular docking; catalysis; medicinal chemistry; biological activity
(This special issue belongs to the Section Inorganic Chemistry)
Organometallic Compounds: Synthesis and Catalysis submission deadline 28 Feb 2027 | Viewed by 354 | Submission Open
Keywords: organometallic compounds; synthesis; catalysis; chemistry; structure
(This special issue belongs to the Section Organometallic Chemistry)
Natural Products Chemistry: Advances in Synthetic, Analytical and Bioactivity Studies, 3rd Edition
edited by
submission deadline 28 Feb 2027 | Viewed by 338 | Submission Open
Keywords: natural products; medicinal chemistry; syntheis; analytical chemistry; NMR; drug discovery
(This special issue belongs to the Section Natural Products Chemistry)
Photoactivated Molecules for Applications in Photodynamic and Photothermal Therapy submission deadline 28 Feb 2027 | Viewed by 325 | Submission Open
Keywords: photodynamic therapy (PDT); photothermal therapy (PTT); photoactivated molecules; photosensitizers; photothermal agents; light-triggered drug release; nanomaterials for phototherapy; photochemistry in medicine; photoinactivation of microorganisms; targeted cancer therapy; photophysical properties
(This special issue belongs to the Section Photochemistry)
Molecular Simulations of Energy Materials, 2nd Edition submission deadline 28 Feb 2027 | Viewed by 321 | Submission Open
Keywords: energy materials; molecular simulation; molecular dynamics; Monte Carlo simulations; quantum computation; electronic structure; intra- and intermolecular forces
(This special issue belongs to the Section Physical Chemistry)
Advances in Natural Antimicrobial Compounds
edited by Xiaochen Chen
submission deadline 28 Feb 2027 | Viewed by 319 | Submission Open
Keywords: natural antimicrobials; foodborn pathogens; antibacterial mechanisms; food preservation; essential oils; extraction and characterization; synergistic effects; food safety; shelf-life extension
(This special issue belongs to the Section Natural Products Chemistry)
Next-Generation Metal Halides: Luminescence, Stability, and Device Applications
edited by Rastgo Hawrami
submission deadline 28 Feb 2027 | Viewed by 314 | Submission Open
Keywords: metal halide perovskites; lead-free metal halides; photoluminescence; self-trapped excitons (STEs); stability engineering; passivation strategies; light-emitting diodes (LEDs); photodetectors; dimensionality engineering; ion migration; defect physics; scalable synthesis and device integration
(This special issue belongs to the Section Photochemistry)
Cutting-Edge Electroanalysis and Molecular Electrochemistry
edited by , Ivan Švancara and
submission deadline 28 Feb 2027 | Viewed by 290 | Submission Open
Keywords: new electrode materials; molecular electrochemistry; structural and mechanistic studies; interfacial electrochemistry; biorecognition layer engineering; latest trends in electroanalysis
(This special issue belongs to the Section Electrochemistry)
Modern Trends in Natural Compounds in Neurological Diseases
edited by
submission deadline 28 Feb 2027 | Viewed by 282 | Submission Open
Keywords: natural compounds; Alzheimer’s disease; Parkinson’s disease; neurological diseases; inflammation; biological activity; multi-target
(This special issue belongs to the Section Natural Products Chemistry)
Emerging Technologies for Chemical Recovery of Spent Batteries
edited by Yuan Liang and
submission deadline 28 Feb 2027 | Viewed by 276 | Submission Open
Keywords: spent battery recycling; chemical recycling technologies; critical metal recovery; hydrometallurgy; bioleaching; circular economy
(This special issue belongs to the Section Green Chemistry)
Biocatalysis and Enzymes in Pharmaceutical and Biotechnological Processes, 2nd Edition
edited by Enikő Forró
submission deadline 28 Feb 2027 | Viewed by 268 | Submission Open
Keywords: enzymatic reaction; pharmacologically important enantiomeric product; optimization of the reaction conditions (in view of max ee and reasonable reaction rate); suitable analytical method (to follow the progress of the reaction, to calculate the E, ee, conv. values); green conditions; sustainability
(This special issue belongs to the Section Green Chemistry)
Advanced Hydroxyapatite-Based Biomaterials
edited by Yaşar Murat Elçin
submission deadline 28 Feb 2027 | Viewed by 259 | Submission Open
Keywords: biofabrication; 3D (bio)printing; bone implants; dental materials; biomimetic coatings; self-healing materials; metal ion substitution; sol-gel technology; colloids and interfaces; nanocomposites; imaging agents
(This special issue belongs to the Section Materials Chemistry)
Design and Therapeutic Applications of Nano-, Micro-, and Macro-Capsules
edited by
submission deadline 28 Feb 2027 | Viewed by 246 | Submission Open
Keywords: optimization of micro- and nano-encapsulation; encapsulation technologies; capsule; therapeutic applications; medicinal chemistry
(This special issue belongs to the Section Medicinal Chemistry)
Nanoscale Modulation of Cellular Signaling for Diagnostics and Targeted Therapy
edited by Jung Hyun Lee
submission deadline 28 Feb 2027 | Viewed by 237 | Submission Open
Keywords: nanoscale signaling modulation; nano-induced mechanisms; nanostructure–cell interaction; protein nanostructures; mechanism-based diagnostics and therapy
(This special issue belongs to the Section Nanochemistry)
Electroanalysis of Biochemistry and Material Chemistry—3rd Edition
edited by Guangjin Wang
submission deadline 28 Feb 2027 | Viewed by 225 | Submission Open
Keywords: voltammetry; potentiometry; conductometry; electrolytic method; electrochemical biosensors; fuel cells; batteries; supercapacitors
(This special issue belongs to the Section Electrochemistry)
Advances in Materials for Secondary Batteries
edited by Yuxin Fan
submission deadline 28 Feb 2027 | Viewed by 207 | Submission Open
Keywords: electrode materials; electrolytes; separators; binders; interfacial engineering; solid-state batteries; sodium-ion batteries; lithium-ion batteries; battery characterization techniques; battery recycling
(This special issue belongs to the Section Materials Chemistry)
Chemical, Physicochemical and Biotechnological Remediation Techniques for Environmental Pollution submission deadline 28 Feb 2027 | Viewed by 183 | Submission Open
Keywords: environmental pollution; emerging contaminants; physicochemical remediation; chemical and biotechnological strategies; hybrid remediation systems; adsorption processes; heavy metals; hydrocarbons; chlorinated compound; PFAS; pharmaceuticals; micro/nanoplastics; advanced oxidation and reduction processes; electrochemical and photocatalytic systems; modeling; process optimization; life cycle assessment
(This special issue belongs to the Section Green Chemistry)
Computational Insights into Reaction Mechanisms and Selectivity in Organic Chemistry submission deadline 28 Feb 2027 | Viewed by 176 | Submission Open
Keywords: computational chemistry; reaction mechanisms; organic reactivity; density functional theory (DFT); reaction selectivity; transition state analysis; molecular modeling; quantum chemical calculations; stereoselectivity; regioselectivity
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Plant Essential Oils: Extraction, Characterization and Biological Activity
edited by and
submission deadline 28 Feb 2027 | Viewed by 174 | Submission Open
Keywords: plant essential oils; GC-MS characterization; bioactive compounds; green extraction; antimicrobial and antifungal activity; antioxidant effects; therapeutic potential; natural products
(This special issue belongs to the Section Natural Products Chemistry)
In Silico Methods Applied in Drug and Pesticide Discovery—4th Edition submission deadline 28 Feb 2027 | Viewed by 171 | Submission Open
Keywords: molecular modeling of small and complex molecules/macromolecules; homology modeling; molecular docking; virtual screening; ADME-Tox; ligand- and structure-based pharmacophore modeling; QSAR/QSPR models; drug/pesticide design; molecular dynamics
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Interface-Engineered Nanomaterials for High-Performance Electrochemical Energy Conversion
edited by Pritam J. Morankar, Mrunal Bhosale and Sahil S. Magdum
submission deadline 28 Feb 2027 | Viewed by 161 | Submission Open
Keywords: interface engineering; electrochemical energy conversion; nanostructured electrocatalysts; catalytic water splitting; oxygen evolution reaction (OER); hydrogen evolution reaction (HER); heterostructured functional nanomaterials; advanced energy storage systems; sustainable hydrogen production
(This special issue belongs to the Section Nanochemistry)
Anticancer and Antibacterial Activities of Bioactive Compounds from Plants and Foods submission deadline 28 Feb 2027 | Viewed by 155 | Submission Open
Keywords: bioactive secondary metabolites; antimicrobial resistance (AMR); pharmacokinetics and pharmacodynamics; nanomedicine; green chemistry; drug discovery; chemotherapeutic agents
(This special issue belongs to the Section Natural Products Chemistry)
Batteries: Nanostructured Materials and Interfaces for Advanced Energy Storage
edited by Subrata Chandra Roy
submission deadline 28 Feb 2027 | Viewed by 136 | Submission Open
Keywords: nanostructured materials; interface engineering; solid–electrolyte interphase (SEI); lithium-ion batteries; sodium-ion batteries; solid-state batteries; lithium–sulfur batteries; zinc–air batteries; in situ/operando characterization; electrolyte engineering
(This special issue belongs to the Section Electrochemistry)
Exploring Analytical Techniques in Pharmaceutical and Biomedical Analysis, 2nd Edition
edited by
submission deadline 28 Feb 2027 | Viewed by 131 | Submission Open
Keywords: pharmaceutical analysis; biomedical analysis; chromatographic analysis; spectroscopic analysis; mass spectrometry analysis; capillary electrophoresis; electrochemical analysis
(This special issue belongs to the Section Analytical Chemistry)
Antioxidant Plant Natural Products: From Extraction to Translational Applications
edited by
submission deadline 28 Feb 2027 | Viewed by 128 | Submission Open
Keywords: plant antioxidants; sustainable recovery; activity; translational applications; delivery systems
(This special issue belongs to the Section Natural Products Chemistry)
Mineral-Derived Functional Materials for Environmental Technologies in Chemistry submission deadline 28 Feb 2027 | Viewed by 128 | Submission Open
Keywords: minerals; ores; zeolites; functional materials; composites; synthesis; hydrothermal treatment; thermal treatment; mechanochemical activation; physicochemical characterization; catalysis; adsorbents; environmental technologies
(This special issue belongs to the Section Materials Chemistry)
Plant-Based Food Science: Chemical Composition and Biological Activity, 3rd Edition
edited by Barbara Soldo and
submission deadline 28 Feb 2027 | Viewed by 123 | Submission Open
Keywords: plants; extraction; chemical composition; biologically active compounds; antioxidation; antitumor activity; microbiological activity
(This special issue belongs to the Section Natural Products Chemistry)
Progress in Applications of Aerogels and Supercritical Drying
edited by and Stefania Mottola
submission deadline 28 Feb 2027 | Viewed by 111 | Submission Open
Keywords: aerogel; supercritical drying; process optimization; biomaterials; aerogel applicability (including insulation, energy transition, adsorption, drug delivery, tissue engineering)
(This special issue belongs to the Section Materials Chemistry)
Targeted Small Molecules for Metabolic Disorders and Cancer Therapy
edited by Yong Zhu and Jie Liu
submission deadline 28 Feb 2027 | Viewed by 107 | Submission Open
Keywords: targeted small molecules; medicinal chemistry; synthesis; biological evaluation; metabolic disorders; brain diseases; cancer therapy
(This special issue belongs to the Section Medicinal Chemistry)
Dynamics of Biomacromolecules: Elucidation and Engineering
edited by
submission deadline 28 Feb 2027 | Viewed by 96 | Submission Open
Keywords: biomacromolecular dynamics; protein dynamics; nucleic acid dynamics; lipid dynamics; protein–nucleic acid interactions; protein–lipid interactions; lipid rafts; time-resolved structural biology; molecular dynamics simulations; biomolecular engineering
(This special issue belongs to the Section Chemical Biology)
Bioactive Compounds for Health Promotion: Chemistry, Bioactivity and Therapeutic Potential
edited by and
submission deadline 28 Feb 2027 | Viewed by 89 | Submission Open
Keywords: plants; fungi; marine; food; natural product; polyphenols; peptides; polysaccharides; alkaloids; terpenoids; carotenoids; secondary metabolites; bioactive compound; characterisation; extraction; chemical structure; processing method; bioaccessibility; bioavailability; formulation; and delivery systems; biological activity; biomedical science; pharmacology; nutrition; therapeutic; oxidative stress; inflammation; immune regulation; antimicrobial defence; metabolic dysfunction; tissue repair; respiratory; asthma; chronic obstructive pulmonary disease; environmental lung injury; oxidative damage; lung repair
(This special issue belongs to the Section Natural Products Chemistry)
Isolation, Identification and Application of Biologically Active Natural Products—Third Edition
edited by and Zhengxuan Wang
submission deadline 28 Feb 2027 | Viewed by 88 | Submission Open
Keywords: phytochemistry; natural product chemistry; food chemistry; secondary metabolites; isolation and structure elucidation of bioactive compounds; novel analytical techniques in natural products; phytomedicine; biological and pharmacological activity; toxicological evaluation
(This special issue belongs to the Section Natural Products Chemistry)
Natural Compounds and Functional Biopolymers in Food Packaging submission deadline 28 Feb 2027 | Viewed by 86 | Submission Open
Keywords: active packaging; biopolymers; natural compounds; bioactive compounds; sustainability; agro-food by-products; e-circular economy
(This special issue belongs to the Section Food Chemistry)
Safety Control and Quality Analysis in Food Processing submission deadline 28 Feb 2027 | Viewed by 82 | Submission Open
Keywords: food safety; food quality; NIR spectroscopy; FT-NIR; chemometrics; food adulteration; non-destructive analysis; food processing; authentication; multivariate analysis
(This special issue belongs to the Section Food Chemistry)
Metal–Organic Frameworks in Biological Systems: Synthesis, Bioactivity, and Biomedical Applications submission deadline 28 Feb 2027 | Viewed by 73 | Submission Open
Keywords: metal–organic frameworks (MOFs); biological and biomedical application; drug delivery; antimicrobial; anticancer; structure–activity relationships
(This special issue belongs to the Section Organometallic Chemistry)
Research and Application of Liquid Chromatography for the Separation and Quantification of Bioactive Compounds
edited by
submission deadline 28 Feb 2027 | Viewed by 70 | Submission Open
Keywords: liquid chromatography; method validation; bioactive compounds; sample preparation; separation; determination
(This special issue belongs to the Section Analytical Chemistry)
Non-Conventional Processing Technologies for Molecular Modification of Food Biomolecules: Structure–Function Relationships submission deadline 28 Feb 2027 | Viewed by 69 | Submission Open
Keywords: non-conventional technologies; food biomolecules; molecular modification; structure-function relationships; ultrasound; high-pressure processing; cold plasma; pulsed electric fields
(This special issue belongs to the Section Food Chemistry)
Bioactive Compounds from Medicinal and Aromatic Plants: Chemistry, Mechanisms, and Applications submission deadline 28 Feb 2027 | Viewed by 68 | Submission Open
Keywords: natural products chemistry; medicinal plants; aromatic plants; plant secondary metabolites; bioactive compounds; phytochemistry; compound isolation; biological activity; mechanism of action; green extraction techniques; drug discovery; semi-synthesis; natural product-based therapeutics; cosmeceuticals; functional foods
(This special issue belongs to the Section Natural Products Chemistry)
Carbohydrate-Active Enzymes and Carbohydrate Engineering: From Mechanisms to Applications
edited by , Birte Svensson and
submission deadline 28 Feb 2027 | Viewed by 49 | Submission Open
Keywords: carbohydrate-active enzymes; enzyme discovery; enzyme mechanism; enzyme engineering; carbohydrate modification; structural analysis of carbohydrates; biomass conversion; enzymes applied in food, biotech and pharma industries
(This special issue belongs to the Section Chemical Biology)
Theoretical and Computational Approaches to Natural Products and Their Derivatives
edited by
submission deadline 28 Feb 2027 | Viewed by 39 | Submission Open
Keywords: natural products; natural product derivatives; quantum-chemical calculations; chemical reactivity descriptors; thermodynamic properties; spectroscopic characteristics; structure-activity relationship; molecular docking; molecular dynamics simulations; pharmacophore modeling; network pharmacology; artificial intelligence; molecular modeling; pharmaceuticals; agrochemicals; nutraceuticals; cosmetics
(This special issue belongs to the Section Computational and Theoretical Chemistry)
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