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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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Featured Reviews in Nanochemistry 2026

edited by

Yucheng Lan

and

Xi Ling

submission deadline 31 Dec 2026 | Viewed by 226 | Submission Open

Keywords: review paper; nanomaterials; nanosynthesis; functional materials; characterization; applications; in situ techniques; operando characterization; modeling and simulation; artificial intelligence; optimization; chemistry

(This special issue belongs to the Section Nanochemistry)

Advances in Protein—Protein Interaction Studies for Therapeutics

edited by

Congbao Kang

and Weijun Xu

submission deadline 31 Dec 2026 | Viewed by 223 | Submission Open

Keywords: protein–protein interactions; ternary complex; proximity inducers; small-molecule drugs; biophysics

(This special issue belongs to the Section Medicinal Chemistry)

Synthesis of Functional Materials for Optoelectronics

edited by

Riddhiman Medhi

submission deadline 31 Dec 2026 | Viewed by 220 | Submission Open

Keywords: optoelectronics; composite materials; nanomaterials; photocatalysis; sensing; synthesis; semiconductor; optical

(This special issue belongs to the Section Materials Chemistry)

Presence of Emerging and Persistent Contaminants in Environmental Matrices

edited by

Cristian Gómez-Canela

submission deadline 31 Dec 2026 | Viewed by 218 | Submission Open

Keywords: emerging contaminants; persistent organic pollutants (POPs); environmental matrices; environmental risk assessment (ERA)

(This special issue belongs to the Section Green Chemistry)

Design, Surface Engineering, and Applications of Functional Monolayers and Coatings in Chemistry

edited by

Michal Cichomski

submission deadline 31 Dec 2026 | Viewed by 215 | Submission Open

Keywords: nanomaterials; thin layers; self-assembled monolayers; surface modification of nanomaterials; characterization of thin layers; nanometrology; nanomechanics; antimicrobial activity and wetting of surfaces

(This special issue belongs to the Section Materials Chemistry)

Synthesis, Analysis and Applications of Cyclodextrins and Their Derivatives

edited by

Zdzisław Kinart

submission deadline 31 Dec 2026 | Viewed by 214 | Submission Open

Keywords: cyclodextrins (natural and modified); host–guest inclusion complexes; synthesis of cyclodextrin derivatives; physicochemical measurements; theoretical calculations and molecular modeling; supramolecular chemistry; drug delivery systems; thermodynamics of inclusion processes

(This special issue belongs to the Section Macromolecular Chemistry)

Chemistry and Bioactivity of Essential Oils

edited by

Betul Sever Yilmaz

and

Burçin Ergene

submission deadline 31 Dec 2026 | Viewed by 213 | Submission Open

Keywords: essential oil; biological activity; extraction methods; GC-MS analysis; formulation methods; structure–activity relationship; phytochemical profiling; quality control; mechanisms of action

(This special issue belongs to the Section Natural Products Chemistry)

Exclusive Feature Papers in Colorants 2026

edited by

Ivo Grabchev

submission deadline 31 Dec 2026 | Viewed by 208 | Submission Open

Keywords: colorants; dyes and pigments; sustainable chemistry; functional materials; photosensitive compounds; photodynamic inactivation; organic electronic materials; nanomaterials; sensors; energy applications; structure–property relationships

(This special issue belongs to the Section Colorants)

Targeted Protein Degradation: Emerging Modalities, Mechanisms, and Therapeutic Opportunities

edited by

Xin Li

submission deadline 31 Dec 2026 | Viewed by 207 | Submission Open

Keywords: targeted protein degradation (TPD); proteolysis-targeting chimeras (PROTACs); molecular glues; covalent degraders; next-generation modalities; tissue-specific and stimuli-responsive TPD; AI-assisted and computationally guided TPD design; mechanistic studies; precision medicine

(This special issue belongs to the Section Medicinal Chemistry)

Chemical Analysis of Bioactive Compounds in Plants

edited by

Wonwoong Lee

submission deadline 31 Dec 2026 | Viewed by 207 | Submission Open

Keywords: plant bioactive compounds; natural product analysis; phytochemical profiling; plant metabolomics

(This special issue belongs to the Section Natural Products Chemistry)

Advanced Functional Materials for Photocatalysis, Green Catalysis and Electrochemical Energy Storage

edited by Qianqian Liu and Ruirui Wang

submission deadline 31 Dec 2026 | Viewed by 205 | Submission Open

Keywords: functional materials; photocatalysis; green catalysis; electrochemical energy storage

(This special issue belongs to the Section Materials Chemistry)

Chemiluminescence and Photoluminescence of Advanced Compounds, 2nd Edition

edited by

Beata Zadykowicz

and

Karol Krzyminski

submission deadline 31 Dec 2026 | Viewed by 202 | Submission Open

Keywords: chemiluminescence; photoluminescence; luminescent molecules; luminescent probes; luminescent indicators; bioimaging; immunoassay; sensing; luminescence mechanism

(This special issue belongs to the Section Photochemistry)

Recent Developments in the Valorization of Agro-Food By-Products and Waste

edited by

Lacrimioara Senila

submission deadline 31 Dec 2026 | Viewed by 200 | Submission Open

Keywords: agro-food waste; sustainable extraction; bioactive compound; circular economy; biotechnological conversion; sustainable food systems

(This special issue belongs to the Section Green Chemistry)

Enzyme Immobilization and Its Application

edited by Dilek Alagoz

submission deadline 31 Dec 2026 | Viewed by 198 | Submission Open

Keywords: immobilization; industrial enzymes; kinetics; proteins; food; enzyme stabilities; nanostructures

(This special issue belongs to the Section Bioorganic Chemistry)

Radiopharmaceuticals and the Applications in Cancer Theranostics

edited by Hugo Cerecetto,

María Alejandra Dagrosa

and

María Fernanda García

submission deadline 31 Dec 2026 | Viewed by 198 | Submission Open

Keywords: radiopharmaceutical; theranostic; cancer; personalized medicine; drug-like properties; artificial intelligence

(This special issue belongs to the Section Medicinal Chemistry)

Advanced Extraction and Chromatographic Methodologies for the Analysis of Plant Secondary Metabolites and Contaminants in Crops: Innovative Analytical Strategies

edited by

Zeineb Aturki

and

Enrica Donati

submission deadline 31 Dec 2026 | Viewed by 198 | Submission Open

Keywords: sample preparation; green extraction technologies; advanced analytical techniques; high-resolution mass spectrometry (HRMS); plant secondary metabolites; contaminants; chemometrics

(This special issue belongs to the Section Analytical Chemistry)

Theoretical Research on Bonding Analysis and Weak Interactions

edited by

Emilie Guidez

Peng Xu

and Tosaporn Sattasathuchana

submission deadline 31 Dec 2026 | Viewed by 192 | Submission Open

Keywords: energy decomposition analysis; intermolecular interactions; first principles; many-body effects; fragmentation

(This special issue belongs to the Section Computational and Theoretical Chemistry)

Advances of Heterocycles in Medicinal Chemistry

edited by

Gheorghita Zbancioc

and

Costel Moldoveanu

submission deadline 31 Dec 2026 | Viewed by 189 | Submission Open

Keywords: medicinal chemistry; heterocycles; azines; azoles; anticancer agents; anti-tuberculosis; antimicrobial

(This special issue belongs to the Section Medicinal Chemistry)

Current State and Future Perspectives of Polymer-Based Composite Electrolytes

edited by

Guibin Wang

and Xuanbo Zhu

submission deadline 31 Dec 2026 | Viewed by 184 | Submission Open

Keywords: functional polymer; polymer-based composite electrolytes; ionic conductivity; ion transport mechanisms; structure–property relationships; AI-driven materials design; flexible and wearable electronics; solid-state batteries

(This special issue belongs to the Section Electrochemistry)

Exclusive Contributions by the Editorial Board Members (EBMs) of the Inorganic Chemistry Section of Molecules in 2026

edited by

Huizhong Kou

submission deadline 31 Dec 2026 | Viewed by 182 | Submission Open

Keywords: inorganic chemistry; coordination chemistry; main-group chemistry; bioinorganic chemistry; solid-state chemistry; organometallic compounds; inorganic cluster chemistry; metal-based assemblies; inorganic anions; inorganic materials; theoretical inorganic chemistry

(This special issue belongs to the Section Inorganic Chemistry)

Recent Advances in Synthesis and Catalysis of Heterocycles

edited by Yao Zhou and

Andrea Penoni

submission deadline 31 Dec 2026 | Viewed by 178 | Submission Open

Keywords: organic synthesis; radical reaction; green synthesis; photocatalysis; electrocatalysis; transition-metal catalysis; heterocyclic synthesis; nitrogen-containing heterocycles; sulfur-containing heterocycles

(This special issue belongs to the Section Organic Chemistry)

Sustainable Organic Synthesis: Mechanistic Insights and Reaction Design

edited by

Wender Alves da Silva

submission deadline 31 Dec 2026 | Viewed by 176 | Submission Open

Keywords: green chemistry; sustainable synthesis; reaction mechanism; catalysis; mechanochemistry; microwave-assisted synthesis; photochemistry; electrochemistry; biomass valorization; solvent-free reactions; phase-transfer catalysis; computational chemistry; reaction engineering; process intensification

(This special issue belongs to the Section Green Chemistry)

Anticancer Natural Products: Synthetic Strategies and Biological Evaluation

edited by

Yong Yin

submission deadline 31 Dec 2026 | Viewed by 174 | Submission Open

Keywords: anticancer natural products; total synthesis; semi-synthesis; structural modification; rational drug design; structure-activity relationship; biological evaluation; cytotoxicity; drug discovery

(This special issue belongs to the Section Natural Products Chemistry)

Intelligent and Biomimetic Nanocarriers for Precision Cancer Therapy

edited by Suping Li

submission deadline 31 Dec 2026 | Viewed by 172 | Submission Open

Keywords: intelligent drug delivery; biomimetic nanotechnologies; precision oncology

(This special issue belongs to the Section Medicinal Chemistry)

Advancements in Pharmaceutical Analysis Techniques

edited by

Alexis Oliva

and Maya Georgieva

submission deadline 31 Dec 2026 | Viewed by 169 | Submission Open

Keywords: biosimilars; quality control; design of experiments approach; analytical and functional similarity; analytical methods; ICH guidelines

(This special issue belongs to the Section Analytical Chemistry)

Computational Advances in Molecular Design of Electrolytes

edited by Chao Fang

submission deadline 31 Dec 2026 | Viewed by 161 | Submission Open

Keywords: electrolytes; ion transport; solvation structure; solid–electrolyte interphase; simulation; machine learning

(This special issue belongs to the Section Computational and Theoretical Chemistry)

Antiviral Medicinal Chemistry Driven by Multidisciplinary Integration

edited by

and

submission deadline 31 Dec 2026 | Viewed by 161 | Submission Open

Keywords: multidisciplinary integration; antiviral medicinal chemistry; drug design; target identification; artificial intelligence; structural biology; novel strategies and advanced technologies; drug resistance; broad spectrum antiviral agents

(This special issue belongs to the Section Medicinal Chemistry)

Application of Nuclear Magnetic Resonance (NMR) Technology in Food Quality Control and Composition Analysis

edited by

Yulia Monakhova

and

Antigoni Cheilari

submission deadline 31 Dec 2026 | Viewed by 160 | Submission Open

Keywords: nuclear magnetic resonance (NMR) technology; food quality control; composition analysis; food safety; nutritional analysis

(This special issue belongs to the Section Analytical Chemistry)

Application of Modern Analytical Techniques in Chinese Medicine

edited by

Chu Chu

submission deadline 31 Dec 2026 | Viewed by 160 | Submission Open

Keywords: traditional Chinese medicine; advanced analytical techniques; two-dimensional chromatography; LC-MS metabolomics; bioactive natural products discovery; quality assessment

(This special issue belongs to the Section Analytical Chemistry)

Bioactive Compounds for the Prevention and Treatment of Diabetes and Metabolic Syndrome

edited by

Przemysław Niziński

Anna Oniszczuk

and Kamila Kasprzak-Drozd

submission deadline 31 Dec 2026 | Viewed by 156 | Submission Open

Keywords: antioxidants; inflammation; polyphenols; CVD; insulin resistance; obesity; oxidative stress

(This special issue belongs to the Section Medicinal Chemistry)

Phytochemicals Beyond Antioxidants: Chemical Profiling, Structural Characterization, and Biological Potential of Plant-Derived Bioactive Compounds

edited by

Ana Kesic

, Katarina Marković and Mirjana Grujović

submission deadline 31 Dec 2026 | Viewed by 143 | Submission Open

Keywords: plant-derived bioactive compounds; plant extracts; essential oils; secondary metabolites; antioxidant activity

(This special issue belongs to the Section Natural Products Chemistry)

Renewable Energy, Fuels and Chemicals from Biomass, 3rd Edition

edited by

Zhuozhi Wang

and

Boxiong Shen

submission deadline 31 Dec 2026 | Viewed by 140 | Submission Open

Keywords: biomass conversion technologies; renewable energy; biofuel synthesis; catalytic biomass transformation; bioethanol; biodiesel; green/sustainable chemistry; biotechnological applications

(This special issue belongs to the Section Applied Chemistry)

Plasmonic Nanoparticles in Cancer Therapy and Detection

edited by

Nimer Murshid

submission deadline 31 Dec 2026 | Viewed by 129 | Submission Open

Keywords: plasmonic nanoparticles; LSPR; cancer detection; biosensing; photothermal therapy; drug delivery; cytotoxicity; nanomedicine; apoptosis; bioimaging

(This special issue belongs to the Section Medicinal Chemistry)

Inorganic Catalysis in Environmental Systems: From Electron Transfer to Organic Matter Transformation

edited by

Xiaolan Huang

submission deadline 31 Dec 2026 | Viewed by 123 | Submission Open

Keywords: inorganic catalysis; nanozyme; inorganic enzyme; metal oxides; sulfide minerals; nanomaterials; minerals; environmental catalysis; biogeochemistry; biogeochemical cycling; carbon cycling; nitrogen cycling; phosphorus cycling; greenhouse gases; CO2 transformation; methane oxidation; nitrous oxide; denitrification; nitrification; redox processes; redox cycling; electron transfer; electron hopping; reactive oxygen species (ROS); Fenton reaction; Fenton-like activity; advanced oxidation processes; photocatalysis; photocatalyst; photoinduced electron transfer; solar-driven catalysis; surface catalysis; interfacial reactions; mineral–organic interactions; organic matter transformation; contaminant degradation; emerging contaminants; PFAS; pesticides; microplastics; soil; sediment; aquatic systems; water treatment; environmental remediation; prebiotic chemistry; origin of life; emergence of life; chemical evolution; protein evolution; enzyme evolution; metalloenzymes; iron–sulfur clusters

(This special issue belongs to the Section Green Chemistry)

Bioaccessibility and Delivery of Food Bioactive Compounds

edited by

Jiacheng Wang

, Yufan Sun and

Mingming Zhong

submission deadline 31 Dec 2026 | Viewed by 94 | Submission Open

Keywords: bioavailability; functional foods; delivery systems; nanoparticles; biopolymer hydrogels; gastrointestinal fate; controlled release

(This special issue belongs to the Section Food Chemistry)

Photocatalysis: From Degradation of Organic Pollutants in Water to Green Organic Transformations—a Theme Issue in Honor of Professor Wanhong Ma

edited by Yan Yan

submission deadline 31 Dec 2026 | Viewed by 92 | Submission Open

Keywords: photocatalysis; heterogeneous photocatalysis; degradation of organic pollutants; water pollution control; photochemical oxidation; interfacial electron transfer; photocatalytic mechanism; photocatalytic materials; nano‑photocatalysis; oxygen activation; green organic synthesis; sustainable chemistry; environmental photochemistry; TiO2 photocatalysis; advanced oxidation processes

(This special issue belongs to the Section Photochemistry)

Advances of Ionic Liquids in Organic, Polymer and Material Chemistry

edited by

Fernando Moyano

submission deadline 31 Dec 2026 | Viewed by 77 | Submission Open

Keywords: reverse micelles; vesicles; nanoparticles; ionic liquids; catalysis; reactions

(This special issue belongs to the Section Molecular Liquids)

Nanozyme-Based Sensing Platforms: Design and Applications

edited by

Fengqing Yang

submission deadline 1 Jan 2027 | 1 articles | Viewed by 566 | Submission Open

Keywords: nanozyme-based sensor; biosensing; environmental monitoring; biomedical diagnosis; pharmaceutical analysis; food safety

(This special issue belongs to the Section Analytical Chemistry)

Advanced Oxidation Processes for Environmental Remediation: Materials and Mechanisms

edited by Lei Qin

submission deadline 1 Jan 2027 | 1 articles | Viewed by 388 | Submission Open

Keywords: advanced oxidation processes; environmental remediation; heterogeneous catalysis; single-atom catalysts; photo-Fenton; electro-persulfate activation; DFT calculations

(This special issue belongs to the Section Green Chemistry)

Small Molecules Derived from and Inspired by Natural Sources: Structure–Activity Relationships and Pharmaceutical Potential

edited by

Oleg M. Demchuk

Monika Wujec

and

Przemysław Dorożyński

submission deadline 10 Jan 2027 | 2 articles | Viewed by 1534 | Submission Open

Keywords: natural products; biologically active compounds; drug discovery; drug development; medicinal chemistry; pharmacology; mechanism of action; structure–activity relationship (SAR); computational drug design; therapeutic applications; natural products; biologically active compounds; drug discovery; drug development; natural origin compounds; medicinal chemistry; bioactive molecules; therapeutic applications; mechanisms of action; natural product-based drugs

(This special issue belongs to the Section Medicinal Chemistry)

Supercritical Fluid Extraction of Natural Products

edited by

Laura Jūrienė

and

Petras Rimantas Venskutonis

submission deadline 15 Jan 2027 | 3 articles | Viewed by 3083 | Submission Open

Keywords: supercritical fluid extraction (SFE); natural products; green chemistry; carbon dioxide extraction; sustainable extraction; phytochemicals; scale-up; environmentally friendly processes

(This special issue belongs to the Section Natural Products Chemistry)

Metal–Organic Cages: Synthesis and Applications

edited by Simona Nica

submission deadline 15 Jan 2027 | Viewed by 305 | Submission Open

Keywords: synthetic strategies; self-assembly processes; crystal engineering; computational studies; post-synthetic functionalization

(This special issue belongs to the Section Organic Chemistry)

Chemical Recycling of Solid Waste from New Energy Sources

edited by Yanling Gu

submission deadline 15 Jan 2027 | Viewed by 116 | Submission Open

Keywords: recycling technology; metal recovery; waste valorization; lithium-ion batteries; environmental impacts

(This special issue belongs to the Section Green Chemistry)

Novel Food Processing Technologies and Their Effects on Bioactive Components in Foods

edited by

Mansheng Wang

and Xiao Wang

submission deadline 16 Jan 2027 | 4 articles | Viewed by 4803 | Submission Open

Keywords: food processing technologies; bioactive constituents; nutrient retention; functional foods; bioavailability; non-thermal processing; sustainable processing; in vitro digestion models; metabolomics

(This special issue belongs to the Section Food Chemistry)

Chromatography for Bio (Analytical) Applications

edited by

Mehmet Gumustas

and

Kenan Can Tok

submission deadline 25 Jan 2027 | Viewed by 255 | Submission Open

Keywords: sample preparation; liquid chromatography; gas chromatography; separation techniques; mass spectrometry; forensic and toxicological analysis; environmental and wastewater analysis; food analysis; biological samples; pharmaceuticals; natural products; omics; drug delivery systems; microorganism-related analysis; chiral separation

(This special issue belongs to the Section Analytical Chemistry)

Advanced Materials for Energy Applications: From Fuels to Batteries and Beyond, 2nd Edition

edited by

Zhao Ding

submission deadline 30 Jan 2027 | 3 articles | Viewed by 2709 | Submission Open

Keywords: hydrogen storage materials; CO2 capture; natural gas sweetening; fossil fuel recovery

(This special issue belongs to the Section Materials Chemistry)

Natural Product Leads Targeting Inflammatory Pathways

edited by

Solomon Habtemariam

submission deadline 30 Jan 2027 | 1 articles | Viewed by 1594 | Submission Open

Keywords: natural products; lead compounds; anti-inflammatory; inflammatory pathways; drug discovery; medicinal plants; phytochemistry

(This special issue belongs to the Section Natural Products Chemistry)

Supramolecular Catalytic Systems Build on Macrocycle-Base Host-Guest Interactions

edited by

Xiaowei Li

submission deadline 30 Jan 2027 | 1 articles | Viewed by 1072 | Submission Open

Keywords: supramolecular catalysis; host–guest systems; macrocycles; noncovalent interactions; microenvironments; activity; stimuli-responsiveness; enantioselectivity/selectivity; transition state stabilization; product inhibition; tandem catalysis

(This special issue belongs to the Section Organic Chemistry)

Biological Properties of Terpenoids

edited by