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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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Advanced Oxidation Processes for Organic Wastewater Treatment: Recent Advances and Future Prospects

edited by

Henry Zúñiga-Benítez

and

Gustavo A. Penuela

submission deadline 31 Dec 2026 | 1 articles | Viewed by 474 | Submission Open

Keywords: advanced oxidation processes; chemical oxidation; reactive oxygen species; organic pollutant degradation; oxidation mechanisms; water chemistry

(This special issue belongs to the Section Green Chemistry)

Computational Chemistry in Homogeneous and Heterogeneous Catalysis and Surface Chemistry

edited by Haya Kornweitz and

Basil Raju Karimadom

submission deadline 31 Dec 2026 | Viewed by 432 | Submission Open

Keywords: density functional theory (DFT); heterogeneous catalysis; homogeneous catalysis; surface reactions; reaction mechanism; metallic Surfaces; nanoparticles; adsorption; desorption; ab initio calculations; material science; surface modelling; reaction kinetics; thermochemistry and reactivity; transition State theory; potential energy surfaces (PES); hydrogenation; hydrogen evolution reaction (HER); oxygen evolution reaction (OER); CO2 reduction; electrocatalysis; machine learning

Benefits, Properties and Innovative Uses of Flavonoids

edited by

Urszula Maciołek

Sonia Losada-Barreiro

and

Małgorzata Kosińska-Pezda

submission deadline 31 Dec 2026 | Viewed by 420 | Submission Open

Keywords: flavonoids; polyphenols; cocrystals; bioactive compounds; antioxidant activity; health benefits; functional foods; nutraceuticals; solubility; bioavailability

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

Plant-Derived Natural Products: Isolation, Structural Characterization, and Bioactivities

edited by Felipe Moura Araújo da Silva,

Hector Henrique Ferreira Koolen

and

Paulo Wender Portal Gomes

submission deadline 31 Dec 2026 | Viewed by 404 | Submission Open

Keywords: phytochemistry; medicinal plants; nuclear magnetic resonance (NMR); LC-MS; GC-MS; plant metabolomics; untargeted metabolomics; bioactivity-guided fractionation; pharmacological evaluation; pharmacognosy

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

Bioactive Compounds in Plant-Derived Extracellular Vesicles and Their Biomedical Applications

edited by

Daotong Li

submission deadline 31 Dec 2026 | Viewed by 387 | Submission Open

Keywords: plant-derived extracellular vesicles; nanomedicine; nanomaterials; biological characteristics; bioactive compounds; biomedical applications; drug delivery

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

Chemometrics and Machine Learning in Forensic Chemistry

edited by Eugenio Alladio

submission deadline 31 Dec 2026 | Viewed by 375 | Submission Open

Keywords: chemometrics; machine learning; forensic chemistry; forensic toxicology; multivariate analysis; spectroscopy; imaging; evidence evaluation; classification

(This special issue belongs to the Section Analytical Chemistry)

Advanced Analytical Strategies and Innovative Processing Technologies for Food Quality and Safety

edited by

Perihan Yolci Ömeroğlu

Emmanouil Tsochatzis

and

Marios G. Kostakis

submission deadline 31 Dec 2026 | Viewed by 373 | Submission Open

Keywords: food quality and safety assurance; innovative food processing (HPP, PEF, Cold Plasma, etc.); pesticide residue analysis and mitigation; food contaminants; non-targeted analysis (NTA); food contact materials and NIAS analysis; food fingerprinting and authenticity; personalized nutrition and bioactive stability; AI and chemometric modeling in food science; advanced mass spectrometry (UPLC-MS/MS, GC-HRMS)

(This special issue belongs to the Section Food Chemistry)

Bioactive Phytochemicals as Antioxidant Agents

edited by

Jorge Garrido

E. Manuela Garrido

and

Alexandra Gaspar

submission deadline 31 Dec 2026 | Viewed by 373 | Submission Open

Keywords: natural-based bioactive compounds; phytochemicals; antioxidants; biological activity; additives; adjuvants, nutraceuticals; food products; pharmaceutical products

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

Chemical Characterization and Anti-Inflammatory/Antinociceptive Activities of Extracts from Medicinal Plants

edited by

Angel Josabad Alonso-Castro

submission deadline 31 Dec 2026 | Viewed by 372 | Submission Open

Keywords: medicinal plants; phytochemistry; plant extracts; chemical characterization; bioactive compounds; anti-inflammatory activity; antinociceptive activity; natural products

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

From Discovery to Delivery: Novel Anticancer Molecules and Advanced Targeting Strategies

edited by

Guo-Bin Ding

submission deadline 31 Dec 2026 | Viewed by 367 | Submission Open

Keywords: anticancer drug discovery; targeted drug delivery; nanocarriers; tumor-targeting ligands; controlled release

(This special issue belongs to the Section Medicinal Chemistry)

Essential Oils in Food Safety and Human Health: Bioactive Phytochemistry, Mechanisms of Action, and Applications

edited by

Mónica da Rocha Zuzarte

and

José Nabor Haro González

submission deadline 31 Dec 2026 | Viewed by 359 | Submission Open

Keywords: essential oil bioactivity; structure–activity relationships; food safety and preservation; antimicrobial resistance; nanoemulsions; encapsulation; functional foods; nutraceuticals; mechanisms of action; bioavailability and bioaccessibility; active food packaging; in silico molecular docking

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

Isolation and Functions of Bioactive Peptides in Food

edited by Noé Ontiveros and Oscar Gerardo Figueroa Salcido

submission deadline 31 Dec 2026 | Viewed by 359 | Submission Open

Keywords: bioactive peptides; protein hydrolysates; functional foods; nutraceuticals; disease prevention; therapy; delivery; in silico

(This special issue belongs to the Section Food Chemistry)

Advances in Functional Materials for Heterogeneous Electrocatalysis

edited by

Xiang He

submission deadline 31 Dec 2026 | Viewed by 351 | Submission Open

Keywords: interfacial interactions; environmental sustainability; energy conversion; water remediation; in situ characterization; first-principles calculations; machine learning

(This special issue belongs to the Section Electrochemistry)

Advances in Biomass Conversion, Biofuel Production and Biorefinery Processes

edited by

Juan Carlos Serrano-Ruiz

and

Mayra Anabel Lara-Angulo

submission deadline 31 Dec 2026 | Viewed by 350 | Submission Open

Keywords: biomass conversion; biofuels; catalysis; biorefinery integration; CO2 utilization; hydrogen production; energy storage; life-cycle and techno-economic analysis

(This special issue belongs to the Section Green Chemistry)

Coordination Compounds: Synthesis, Structural Characterization and Versatile Biological Applications

edited by

Rodica Olar

submission deadline 31 Dec 2026 | Viewed by 350 | Submission Open

Keywords: coordination compounds; essential/non-essential metal ions; biological activity; antitumor; antimicrobial; in vitro assays; carrier; inorganic/organic matrix

(This special issue belongs to the Section Inorganic Chemistry)

Current Advances in Biodegradable Polymers

edited by Aurelio Ramírez-Hernández and Alejandro Aparicio-Saguilán

submission deadline 31 Dec 2026 | Viewed by 341 | Submission Open

Keywords: natural and synthetic polymers; biodegradation; synthesis; characterization; composites; nanomaterials; processing; environmental impact; molecular modeling

(This special issue belongs to the Section Materials Chemistry)

Novel Micro- and Nanocomposites as Ionizing Radiation Shielding Materials: From the Concept to Real-Life Protection

edited by

Gawel Zyla

submission deadline 31 Dec 2026 | Viewed by 333 | Submission Open

Keywords: nanocomposites; microcomposites; shielding; radiation; ionizing radiation

(This special issue belongs to the Section Materials Chemistry)

Structure and Bonding of Compounds: Experimental and Theoretical Studies

edited by

Demeter Tzeli

and

Thomas Mavromoustakos

submission deadline 31 Dec 2026 | Viewed by 329 | Submission Open

Keywords: chemical bonding; bonding analysis; molecular structure; calculations; interactions; MO analysis; VB analysis; quantum theory of atoms in molecules (QTAIM); machine learning; molecular dynamics

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

Fluorescent Organic Molecules: Design, Properties, and Applications

edited by Minghao Hu

submission deadline 31 Dec 2026 | Viewed by 325 | Submission Open

Keywords: fluorescent organic molecules; molecular design; photophysical properties; bioimaging; chemical sensing; biomedical applications

(This special issue belongs to the Section Photochemistry)

Stimuli-Responsive Molecular Crystals: From Structure to Function

edited by

Željko Skoko

submission deadline 31 Dec 2026 | Viewed by 319 | Submission Open

Keywords: stimuli-responsive molecular crystals; thermosalient and photosalient effects; supramolecular chemistry and crystal engineering; molecular design and polymorphism; anisotropic thermal expansion and molecular packing effects; solid-state phase transitions; crystallography under external stimuli; structure–property relationships in molecular solids; computational chemistry of molecular crystals

(This special issue belongs to the Section Materials Chemistry)

Synthesis of Innovative and Smart Materials for Batteries

edited by

Laiqiang Xu

and Kangyu Zou

submission deadline 31 Dec 2026 | Viewed by 318 | Submission Open

Keywords: batteries; energy storage; electrodes; materials design; smart functional components

(This special issue belongs to the Section Materials Chemistry)

Electrochemical Approaches in Bioanalysis: Translational Applications in Medicine and Environmental Monitoring

edited by Mihaela Tertis

submission deadline 31 Dec 2026 | Viewed by 310 | Submission Open

Keywords: electrochemical bioanalysis; sensors and biosensors; nanomaterials and biomimetic-based platforms; point-of-care diagnostics; environmental monitoring

(This special issue belongs to the Section Electrochemistry)

Chemistry of Environmentally Friendly Corrosion Inhibitors Using Emerging Technologies

edited by

Andres Carmona Hernandez

and

Patrizia Bocchetta

submission deadline 31 Dec 2026 | Viewed by 304 | Submission Open

Keywords: green corrosion inhibitors; computational chemistry; sustainable synthesis; machine learning; adsorption mechanism

Application of Polyacrylonitrile in Catalytic Conversion and Environmental Remediation

edited by

Ning Ma

submission deadline 31 Dec 2026 | Viewed by 301 | Submission Open

Keywords: polyacrylonitrile (PAN); environmental remediation; catalytic conversion; functionalized composites

(This special issue belongs to the Section Macromolecular Chemistry)

Fluorescent and Colorimetric Chemosensors: Design and Practical Applications

edited by

Haibo He

submission deadline 31 Dec 2026 | Viewed by 295 | Submission Open

Keywords: fluorescent probes; colorimetric sensors; chemosensors; molecular recognition; bioimaging; environmental monitoring; supramolecular chemistry; trace analysis

(This special issue belongs to the Section Photochemistry)

Removal of Micro- and Nanoplastics from Water

edited by

Xianhua Liu

submission deadline 31 Dec 2026 | Viewed by 293 | Submission Open

Keywords: microplastics; nanoplastics; water purification; adsorption; photocatalysis; membrane filtration; biodegradation; electrochemical removal; environmental remediation; sustainable materials

(This special issue belongs to the Section Green Chemistry)

Chiral Catalyst Design and Asymmetric Synthesis

edited by Stefano Dughera

submission deadline 31 Dec 2026 | Viewed by 292 | Submission Open

Keywords: chiral catalyst design; asymmetric catalysis; enantioselective synthesis; organocatalysis; green chemistry

(This special issue belongs to the Section Organic Chemistry)

Bioactive Compounds in Traditional Herbal Medicines

edited by

Marta Sofía Valero

Carlota Gómez-Rincón

and

Sonia Nuñez Alonso

submission deadline 31 Dec 2026 | Viewed by 290 | Submission Open

Keywords: natural products; medicinal plants; traditional medicine; bioactive molecules; crude drugs; pharmacological activity; molecular mechanisms; phytochemistry; secondary metabolites; ethnopharmacology

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

Chemistry of Grapes and Wine: Analysis Methods, Applications and Challenges

edited by Ignacio Ontañón and Ignacio Arias-Pérez

submission deadline 31 Dec 2026 | Viewed by 286 | Submission Open

Keywords: wine chemistry; grape composition; wine aroma; gas chromatography–mass spectrometry (GC-MS); liquid chromatography–mass spectrometry (LC-MS); spectroscopic techniques; phenolic compounds; metabolomics; chemometrics

(This special issue belongs to the Section Food Chemistry)

Recent Advances in Clean and Efficient Coal Separation

edited by

Gan Cheng

Shiwei Wang

and

Ningning Zhang

submission deadline 31 Dec 2026 | Viewed by 285 | Submission Open

Keywords: coal; intelligentization; flotation; gravity separation; dry separation; coal-based materials; coal-based solid waste; interfacial interaction

(This special issue belongs to the Section Green Chemistry)

Glycomics-Driven Molecular Discovery: Diagnostics, Therapeutics and Vaccines for Global Health

edited by

Mark von Itzstein

, Arun Everest-Dass and

Larissa Dirr

submission deadline 31 Dec 2026 | Viewed by 282 | Submission Open

Keywords: carbohydrate-based drug discovery; glycoscience; antiviral drugs; anti-infective therapeutics; influenza research; glycotherapeutics; drug-resistant bacteria; biomolecular drug design; cancer; cancer biomarker discovery; anti-cancer drug discovery

(This special issue belongs to the Section Bioorganic Chemistry)

Heterogeneous Catalysis and Functional Oxide Materials: A Theme Issue in Honor of Professor Steven L. Suib

edited by

Jie He

submission deadline 31 Dec 2026 | Viewed by 280 | Submission Open

Keywords: advanced catalytic materials and mechanisms; porous and mesoporous materials synthesis and applications; functional oxide materials; environmental photochemistry and photocatalysis; heterogeneous catalysis; novel characterization techniques for catalysts

(This special issue belongs to the Section Inorganic Chemistry)

Naphthalene-Based Molecules: Design, Synthesis, and Functional Applications

edited by

Yuan-Zheng Cheng

submission deadline 31 Dec 2026 | Viewed by 279 | Submission Open

Keywords: naphthalene; design and synthesis; transformations; functional materials; drug discovery

(This special issue belongs to the Section Organic Chemistry)

Therapeutic Potential of Bioactive Compounds Against Neurodegenerative Diseases

edited by

Diana Cláudia Gouveia Alves Pinto

and

Carlos Fábio Magalhães da Silva

submission deadline 31 Dec 2026 | Viewed by 279 | Submission Open

Keywords: neurodegenerative diseases; bioactive compounds; drug discovery; medicinal chemistry; structure-activity relationship; mechanisms of action

(This special issue belongs to the Section Medicinal Chemistry)

Natural Compounds with Anticancer Activity

edited by

Jazmin M. Pérez-Rojas

and Alejandro García-Carrancá

submission deadline 31 Dec 2026 | Viewed by 275 | Submission Open

Keywords: natural compounds; cytotoxicity; cancer; resistance; pharmacognosy; herbal medicine; anticancer drug; secondary metabolites; therapeutic agents

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

Organic Chemistry in Europe

edited by

Jözef Drabowitcz

Wim Dehaen

and

Nino Russo

submission deadline 31 Dec 2026 | Viewed by 274 | Submission Open

Keywords: organic synthesis; catalysis; asymmetric synthesis; organometallic chemistry; computational organic chemistry; heterocyclic chemistry; radical chemistry; cross-coupling reactions; C-H activation

(This special issue belongs to the Section Organic Chemistry)

Recent Advances in Nanomedicine and Their Toxicological Implications

edited by

Xiaoyan Lu

Fang Zhang

and

Tianyuan Zhang

submission deadline 31 Dec 2026 | Viewed by 270 | Submission Open

Keywords: nanomedicine; toxicity; prevention; diagnosis; treatment

(This special issue belongs to the Section Medicinal Chemistry)

Bioactive Compounds and Emerging Technologies in Food Processing and Functional Systems

edited by

Carlos Adam Conte Júnior

and

Bruno Dutra da Silva

submission deadline 31 Dec 2026 | Viewed by 269 | Submission Open

Keywords: bioactive compounds; emerging non-thermal technologies; active food packaging; nanotechnology; food control; food technology

(This special issue belongs to the Section Food Chemistry)

Protein Kinase: Structure, Function and Inhibitors

edited by

José Bubis

submission deadline 31 Dec 2026 | Viewed by 269 | Submission Open

Keywords: protein kinase; protein phosphorylation; ATP-binding site; allosteric regulation; structure–function relationship; conformational change; cellular signaling pathways; drug discovery; ATP-competitive inhibitors; allosteric inhibitors

(This special issue belongs to the Section Chemical Biology)

Novel Materials for Sensing

edited by

Yunlei Xianyu

and

Meiqing Zhu

submission deadline 31 Dec 2026 | Viewed by 264 | Submission Open

Keywords: novel materials; sensor design; nanomaterials; functional polymers; biosensors; chemical sensing; electrochemical detection; fluorescent probe

(This special issue belongs to the Section Materials Chemistry)

Featured Review Papers in Gel Biomaterials

edited by

Carlos A. García-González

, Clara López-Iglesias and

María Isabel Rial-Hermida

submission deadline 31 Dec 2026 | Viewed by 263 | Submission Open

Keywords: hydrogels; aerogels; proteins; polysaccharides; drug delivery; functional food; regenerative medicine; 3D-bioprinting; biofabrication; personalized medicine

(This special issue belongs to the Section Materials Chemistry)

Chemistry and Bioactivity of Essential Oils

edited by

Betul Sever Yilmaz

and

Burçin Ergene

submission deadline 31 Dec 2026 | Viewed by 262 | 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)

Membrane Materials for Wastewater Treatment

edited by Chrysoula Athanasekou

submission deadline 31 Dec 2026 | Viewed by 252 | Submission Open

Keywords: membrane technologies; ultrafiltration; nanofiltration; reverse osmosis; membrane distillation; emerging contaminants; environmental remediation; wastewater treatment

(This special issue belongs to the Section Applied Chemistry)

Advanced Photocatalytic Materials for Environmental Applications: Synthesis, Characterization, Experimental and Computational Approaches

edited by

Barbara Bonelli

submission deadline 31 Dec 2026 | Viewed by 251 | Submission Open

Keywords: solar photocatalysis; biomass valorisation; green H2 production; CO2 reduction; valuable chemicals and fuels production; semiconductors; upconversion; doping; nanocomposites; physico-chemical properties; sustainable materials; computational approaches

(This special issue belongs to the Section Photochemistry)

Advances in Protein—Protein Interaction Studies for Therapeutics

edited by

Congbao Kang

and Weijun Xu

submission deadline 31 Dec 2026 | Viewed by 244 | Submission Open

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

(This special issue belongs to the Section Medicinal Chemistry)

Synthesis, Analysis and Applications of Cyclodextrins and Their Derivatives

edited by

Zdzisław Kinart

submission deadline 31 Dec 2026 | Viewed by 240 | 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)

Presence of Emerging and Persistent Contaminants in Environmental Matrices

edited by

Cristian Gómez-Canela

submission deadline 31 Dec 2026 | Viewed by 236 | Submission Open

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

(This special issue belongs to the Section Green Chemistry)

Synthesis of Functional Materials for Optoelectronics

edited by

Riddhiman Medhi

submission deadline 31 Dec 2026 | Viewed by 236 | Submission Open

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

(This special issue belongs to the Section Materials 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 235 | Submission Open

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

(This special issue belongs to the Section Materials Chemistry)

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

edited by

Xin Li

submission deadline 31 Dec 2026 | 1 articles | Viewed by 231 | 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)

Displaying special issue 651-700 on page 14 of 29.

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