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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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Advancing Next-Generation Technologies with MXenes, 2nd Edition

edited by Asif Shahzad and

Tej B. Limbu

submission deadline 31 Aug 2026 | Viewed by 43 | Submission Open

Keywords: MAX phase; 2D MXene; MXene derivatives and heterostructures; fluoride-free synthesis; energy storage; EMI; catalysis; water purification; bottom-up approaches; hybrid systems

(This special issue belongs to the Section Materials Chemistry)

Advanced Adsorbent Materials for Environmental Applications

edited by

Angelo Fenti

and

Pasquale Iovino

submission deadline 31 Aug 2026 | Viewed by 43 | Submission Open

Keywords: advanced adsorbents; MOFs/COFs and porous carbons; PFAS and emerging contaminants; adsorption mechanisms and kinetics; regeneration and stability; hybrid processes (photocatalysis and membranes); green synthesis

(This special issue belongs to the Section Applied Chemistry)

Peptide and Protein Folding

edited by

Yuji Hidaka

Mahesh Narayan

and

Michio Iwaoka

submission deadline 31 Aug 2026 | Viewed by 39 | Submission Open

Keywords: peptide structure and dynamics; disulfide bond formation; folding pathways and intermediates; protein stability and misfolding; machine learning in structural biology

(This special issue belongs to the Section Chemical Biology)

Microwave and Ultrasound Technologies in Chemical Reactions

edited by

Qinglong Xie

submission deadline 31 Aug 2026 | Viewed by 35 | Submission Open

Keywords: microwave chemistry; sonochemistry; process intensification; reaction mechanisms; organic synthesis; synergistic effects; green chemistry

(This special issue belongs to the Section Green Chemistry)

Curcumin Derivatives: Synthesis, Structural Diversity and Biological Potential

edited by Raul G. Enriquez and Marco A. Obregón-Mendoza

submission deadline 31 Aug 2026 | Viewed by 32 | Submission Open

Keywords: curcumin; demethoxycurcumin; bisdemethoxycurcumin; antioxidant activities; anti-cancer activities; anti-Alzheimer disease; curcuminoid metal complexes; curcumin-based fluorescent probes

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

Chitosan, Chitosan Derivatives, Polysaccharides and Their Applications—3rd Edition

edited by

Agnieszka Ewa Wiącek

submission deadline 31 Aug 2026 | Viewed by 31 | Submission Open

Keywords: chitin; chitosan; polysaccharide; polysaccharide-based systems

(This special issue belongs to the Section Macromolecular Chemistry)

Heterocyclic Compounds Against Cancer and Neurodegenerative Diseases

edited by

Elena Cichero

submission deadline 31 Aug 2026 | Viewed by 30 | Submission Open

Keywords: cancer; neuroprotection; drug; modeling; drug design

(This special issue belongs to the Section Medicinal Chemistry)

Recent Advances in Immobilization of Bioactive Molecules in Polymeric Materials

edited by

Zlatan Denchev

and

Nadya Vasileva Dencheva

submission deadline 31 Aug 2026 | Viewed by 19 | Submission Open

Keywords: immobilization of biomolecules; polymer supports for biomolecules; covalent immobilization; non-covalent immobilization; immobilization by encapsulation/entrapment; stimuli-responsive polymer-based conjugates; molecularly imprinted polymers; biocatalysis with polymer-supported biomolecules; biosensing with polymer-supported biomolecules; drug/gene delivery with polymer-supported biomolecules

(This special issue belongs to the Section Macromolecular Chemistry)

Sustainable Technologies and Green Biomass Applications in Cosmetics and Environmental Protection

edited by

Daniela Şuteu

submission deadline 31 Aug 2026 | Viewed by 16 | Submission Open

Keywords: biomass; green technologies; cosmetic applications; environmental applications; sustainable impact

(This special issue belongs to the Section Green Chemistry)

Biohybrid Nanocomposites: When Nature and Nanotechnology Merge to Offer Novel Biomaterials

edited by

Si Amar Dahoumane

submission deadline 31 Aug 2026 | Viewed by 13 | Submission Open

Keywords: bionanocomposites; scaffolds; nanoparticles; surface functionality; sustainability; synthesis; properties; applications

(This special issue belongs to the Section Nanochemistry)

The Application of Nanomaterials in Drug Delivery

edited by

Maria Antònia Busquets

and

Anna Karewicz

submission deadline 31 Aug 2026 | Viewed by 13 | Submission Open

Keywords: nanomaterials; drug delivery; nanocarrier synthesis; chemical functionalization; surface engineering; stimuli-responsive systems; supramolecular interactions; computational design

(This special issue belongs to the Section Applied Chemistry)

Functional Polymeric Materials for Molecular Recognition and Bioseparation

edited by Chunfang Xie

submission deadline 31 Aug 2026 | Viewed by 2 | Submission Open

Keywords: functional polymeric materials; molecularly imprinted polymers; smart/responsive polymers; biomimetic interfaces; affinity polymers; surface-imprinted materials; hydrogels; membranes; bioseparation; affinity chromatography; membrane separation; integrated system; continuous bioprocessing

(This special issue belongs to the Section Macromolecular Chemistry)

Carbon-Based Electrochemical Materials for Energy Storage, 2nd Edition

edited by Huicong Xia

submission deadline 1 Sep 2026 | 1 articles | Viewed by 258 | Submission Open

Keywords: carbon-based nanomaterials; energy storage; batteries; supercapacitors; fuel cells; electrochemical reactions

(This special issue belongs to the Section Electrochemistry)

Recent Advances in Graphene-Based Materials

edited by

Raffaello Papadakis

and

Grazia Giuseppina Politano

submission deadline 10 Sep 2026 | Viewed by 261 | Submission Open

Keywords: graphene; graphene oxide; reduced graphene oxide; 2D; energy storage; catalysis; optoelectronics

(This special issue belongs to the Section Materials Chemistry)

Protein–Ligand Interactions, 2nd Edition

edited by

Małgorzata Maciążek-Jurczyk

submission deadline 15 Sep 2026 | Viewed by 76 | Submission Open

Keywords: protein– ligand interactions; binding affinity; protein structure and function

(This special issue belongs to the Section Chemical Biology)

Molecular Insights into Polyoxometalate-Based Functional Materials

edited by Florence Volatron

submission deadline 15 Sep 2026 | Viewed by 17 | Submission Open

Keywords: POM-based materials; nanoobjects; thin films; multidimensional networks; composites; soft matter; nanoscale microscopies; X-ray spectroscopies; X-ray diffraction

(This special issue belongs to the Section Inorganic Chemistry)

Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics, 4th Edition

edited by

Marco Tutone

Anna Maria Almerico

and

Giulia Culletta

submission deadline 16 Sep 2026 | Viewed by 302 | Submission Open

Keywords: QSAR and 3D-QSAR; unbiased and biased molecular dynamics; pharmacophore modeling; reverse modeling; ab initio calculations; protein– protein interactions; free energy profiling; modeling of nucleic acids (mRNA; rRNA; tRNA); molecular docking; virtual screening; multitarget approaches; ADMET prediction; similarity analysis; computational approaches applied to natural compounds and nutraceuticals

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

Metal Complexes for Optical and Electronics Applications

edited by

Paola Deplano

Flavia Artizzu

and

Luca Pilia

submission deadline 30 Sep 2026 | 9 articles | Viewed by 19726 | Submission Open

Keywords: coordination chemistry; metal complexes; transition metals; lanthanides; luminescence; nonlinear optics; photo-switching; conductivity

(This special issue belongs to the Section Applied Chemistry)

Novel Heterocyclic Compounds: Synthesis and Applications

edited by

Mario Orodnez

and José Luis Viveros-Ceballos

submission deadline 30 Sep 2026 | 3 articles | Viewed by 3071 | Submission Open

Keywords: heterocyclic compounds; synthetic methodologies; medicinal chemistry; bioactive molecules; pharmaceutical applications; catalysis in heterocycle synthesis; green chemistry approaches; structure– activity relationships (SARs); organic synthesis; agrochemical applications

(This special issue belongs to the Section Organic Chemistry)

New Materials for Gas Capture and Conversion

edited by Jie Xu and Yuandong Yang

submission deadline 30 Sep 2026 | 1 articles | Viewed by 846 | Submission Open

Keywords: gas capture; gas conversion; novel sorbents; efficient catalysts; kinetic modelling; thermodynamic analysis; process simulation

(This special issue belongs to the Section Materials Chemistry)

Advances in Emerging Photovoltaic: From Materials and Devices to Modules

edited by

Guilong Cai

submission deadline 30 Sep 2026 | 1 articles | Viewed by 405 | Submission Open

Keywords: design and synthesis of photovoltaic materials; perovskite photovoltaics; organic photovoltaics; quantum dot solar cells; scalability and stability

(This special issue belongs to the Section Materials Chemistry)

Design and Synthesis of Antiviral Drugs Targeting Enzymes of Emerging RNA Viruses

edited by

Angela Corona

and

Antonio Lupia

submission deadline 30 Sep 2026 | Viewed by 360 | Submission Open

Keywords: antivirals; RNA viruses; viral replication; drug design; enzyme inhibitors

(This special issue belongs to the Section Medicinal Chemistry)

Sustainable Chemistry with Ionic Liquids and Deep Eutectic Solvents: From Fundamentals to Applications

edited by

Iuliia Voroshylova

submission deadline 30 Sep 2026 | 1 articles | Viewed by 357 | Submission Open

Keywords: ionic liquids; deep eutectic solvents; green chemistry; sustainable solvents; electrolytes; catalysis; electrochemistry; biomass; extraction

(This special issue belongs to the Section Molecular Liquids)

Functional Adsorption Materials for Catalytic Degradation in Pollution Chemistry

edited by

Chirangano Mangwandi

submission deadline 30 Sep 2026 | Viewed by 300 | Submission Open

Keywords: adsorptive catalysis; pollutant degradation; functional meterials; environmental remediation; hybride adsorbents; water and air purification

(This special issue belongs to the Section Applied Chemistry)

Organic Synthesis and Medicinal Chemistry, Two Inseparable Partners: Recent Advances in Heterocyclic Chemistry, 2nd Edition

edited by

Graziella Tocco

submission deadline 30 Sep 2026 | 1 articles | Viewed by 263 | Submission Open

Keywords: organic chemistry methods; organic synthesis; medicinal chemistry; heterocycles; drug discovery; in silico drug design; biologically active compounds

(This special issue belongs to the Section Medicinal Chemistry)

Nitrogen-Containing Heterocyclic Compounds in Drug Design: Synthesis, Characterization, and Biological Activity

edited by

Anita Kornicka

and

Łukasz Balewski

submission deadline 30 Sep 2026 | Viewed by 69 | Submission Open

Keywords: nitrogen heterocycles; synthesis; structure; biological activity; drug development; drug candidates; in silico research; computer-aided drug design; medicinal chemistry

(This special issue belongs to the Section Medicinal Chemistry)

Structural Characteristics, Bioactivities and Mechanisms of Food-Derived Functional Compounds

edited by Juan Kan, Dan Chen and Chao Tang

submission deadline 30 Sep 2026 | Viewed by 53 | Submission Open

Keywords: food-derived bioactive compounds; structural characterization; structure– activity relationship; antioxidant activity; anti-inflammatory activity; antimicrobial mechanisms; functional foods; nutraceuticals; bioavailability; polysaccharides; polyphenols; peptides; flavonoids; carotenoids; biotransformation; molecular mechanisms

(This special issue belongs to the Section Food Chemistry)

Recent Research Progress of Novel Ion Adsorbents—2nd Edition

edited by

Elżbieta Grządka

and

Katarzyna Szymczyk

submission deadline 30 Sep 2026 | Viewed by 51 | Submission Open

Keywords: synthesis of adsorbents; adsorbents regeneration; ionic adsorbates; purification of water; removal of impurities; adsorption mechanisms; desorption; equilibrium data; adsorption isotherms; kinetic models

(This special issue belongs to the Section Physical Chemistry)

Metal-Catalyzed Organic Transformations: Expanding Horizons in Synthetic Methodology—2nd Edition

edited by Chen Chen and

Haibo Ge

submission deadline 30 Sep 2026 | Viewed by 51 | Submission Open

Keywords: multicomponent reactions; transition metal catalysis; organometallic chemistry; electrosynthesis; photocatalysis; green organic synthesis; bioactive molecules

(This special issue belongs to the Section Organic Chemistry)

Chirality: The Molecular Key to Structure, Function and Future Materials

edited by Aras Kartouzian

submission deadline 30 Sep 2026 | Viewed by 51 | Submission Open

Keywords: structure– function relations; chiroptical spectroscopy; natural products; enantioselective synthesis; molecular machines; origin of life; optically active materials

(This special issue belongs to the Section Materials Chemistry)

Natural Compounds in Modern Therapies, 3rd Edition

edited by

Nina Rembiałkowska

and

Anna Choromańska

submission deadline 30 Sep 2026 | Viewed by 48 | Submission Open

Keywords: natural compounds; plant extract; anti-cancer activity; antimicrobial activity; antifungal activity; antiviral activity; anti-inflammatory activity; synergistic effect; chronic disorders; age-related disorders; metabolic syndrome; nutraceuticals

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

Protein Kinase Inhibitors: Progress, Challenges and New Horizons

edited by

Simona Rapposelli

submission deadline 30 Sep 2026 | Viewed by 44 | Submission Open

Keywords: protein kinase inhibitors; lipid-kinase inhibitors; small-molecule drugs; heterocyclic compounds; allosteric inhibition; covalent inhibitors; medicinal chemistry

(This special issue belongs to the Section Medicinal Chemistry)

Application of Metabolomics for Food and Beverages Analysis, 2nd Edition

edited by

Marilena Dasenaki

submission deadline 30 Sep 2026 | Viewed by 39 | Submission Open

Keywords: targeted and untargeted metabolomics; food and beverage quality and safety; food authenticity; chemical characterization of foods and beverages; metabolic profiling; metabolic fingerprinting; analytical methodologies; advanced chemometric techniques

(This special issue belongs to the Section Analytical Chemistry)

Synthesis of Biologically Active Compounds as Potential Antitumor, Antimalarial and Antituberculosis Drugs

edited by

Sandra Gemma

and Anna Ramunno

submission deadline 30 Sep 2026 | Viewed by 38 | Submission Open

Keywords: mycobacterium tuberculosis; non-tubercular mycobacteria; targeted anticancer therapy; Plasmodium falciparum; antimicrobial resistance; phenotypic screening; rational drug design; computational studies

(This special issue belongs to the Section Medicinal Chemistry)

Computational and Integrated Strategies for Natural-Product-Derived Antimicrobials

edited by

Pankaj Pandey

submission deadline 30 Sep 2026 | Viewed by 38 | Submission Open

Keywords: natural products; antimicrobial discovery; computational strategies; molecular modeling; molecular dynamics; machine learning; chemoinformatics; structure– activity relationships

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

Synthesis of Organic Ligands and Their Metal Complexes in Medicinal Chemistry—2nd Edition

edited by

Alessia Catalano

submission deadline 30 Sep 2026 | Viewed by 35 | Submission Open

Keywords: medicinal chemistry; biologically active compounds; new synthetic methodologies; theoretical; analytical and physicochemical characterization; drug discovery; pharmacological activity; structure-activity relationships

(This special issue belongs to the Section Medicinal Chemistry)

Advanced Materials for Efficient Adsorption and Separation

edited by

Karolina Wieszczycka

submission deadline 30 Sep 2026 | Viewed by 27 | Submission Open

Keywords: adsorption; separation; remediation; MOF; carbon-based nanomaterials; silica and metal silicate nanomaterials; polymer and biopolymer sorbents and membranes; nanocomposite

(This special issue belongs to the Section Materials Chemistry)

Recent Advances in Analytical Methods for Drug Analysis

edited by

Anna Gumieniczek

submission deadline 30 Sep 2026 | Viewed by 24 | Submission Open

Keywords: advances in analytical techniques; PAT and miniaturization; green chemistry; chemometrics and AI-based tools; new bioactive compounds; organic and biological drugs; organic and elemental impurities; enantiomers; metabolites and biomedical analysis

(This special issue belongs to the Section Analytical Chemistry)

Biocatalysis and Biotransformation in Natural Product Chemistry

edited by

Andrey Moacir do Rosario Marinho

submission deadline 30 Sep 2026 | Viewed by 21 | Submission Open

Keywords: biotransformation; secondary metabolites; bioactivity; bioconversion; natural products; biotechnology; green chemistry

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

Organometallic Complexes of Platinum-Group Metals: Synthesis, Structure, and Function

edited by

Hadley S. Clayton

submission deadline 30 Sep 2026 | Viewed by 21 | Submission Open

Keywords: platinum-group metals; organometallic complexes; bioinorganic chemistry; catalysis; structural chemistry; computational chemistry; metal clusters; medicinal applications

(This special issue belongs to the Section Organometallic Chemistry)

Carbohydrate Chemistry and Synthesis: Innovative Antibacterial Solutions

edited by

Barbara Dmochowska

submission deadline 30 Sep 2026 | Viewed by 20 | Submission Open

Keywords: glycosynthesis; structural analysis of carbohydrates; chemical properties of carbohydrates; carbohydrate biology research

(This special issue belongs to the Section Chemical Biology)

High-Entropy Oxides as Functional Chemical Systems: Disorder by Design

edited by

Igor Djerdj

and

Dalibor Tatar

submission deadline 30 Sep 2026 | Viewed by 14 | Submission Open

Keywords: high entropy oxides; high entropy materials; catalysis; electrocatalysis; heterogeneous catalysis; photocatalysis; magnetic properties; supercapacitors; functional materials

(This special issue belongs to the Section Materials Chemistry)

Next-Generation Degradation Pathways for Plastics

edited by

Wael S. Hamd

and

Joydeep Dutta

submission deadline 30 Sep 2026 | Viewed by 10 | Submission Open

Keywords: photocatalysis; Fenton; advanced oxidation; catalytic depolymerization; toxicity studies; reaction by products

(This special issue belongs to the Section Green Chemistry)

Recent Progress in the Synthesis and Applications of Photocatalysts: Environmental and Energy Applications

edited by Alexandra Ioannidi,

Athanasia Petala

and

Dionissios Mantzavinos

submission deadline 30 Sep 2026 | Viewed by 9 | Submission Open

Keywords: photocatalysts; photocatalytic technologies; water and wastewater treatment; degradation of emerging contaminants; hydrogen production; CO₂ reduction; solar-to-chemical energy conversion

(This special issue belongs to the Section Photochemistry)

Floral/Bee-Collected Pollen: Chemical Characterization, Nutritional Properties, Functionality, Bioactivity, and Pharmaco-Medical Applications

edited by

Aleksandar Ž. Kostić

submission deadline 30 Sep 2026 | Viewed by 9 | Submission Open

Keywords: pollen; nutrients; bioactive compounds; analytical techniques; phenolics; carotenoids; phenylamides; application

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

Photochemical Attenuation of Contaminants

edited by

Davide Vione

submission deadline 30 Sep 2026 | Submission Open

Keywords: contaminants of emerging concern; light-induced processes; photochemical decontamination; water photochemistry; atmospheric photochemistry; photosensitized reactions

(This special issue belongs to the Section Photochemistry)

Lignocellulosic Biomass Utilization: From Waste to Value-Added Products

edited by

Encarnación Ruiz Ramos

and

Irene Gómez Cruz

submission deadline 1 Oct 2026 | Viewed by 122 | Submission Open

Keywords: lignocellulosic biomass; value-added products; biomaterials; biorefinery; circular economy; bioenergy; sustainable development goals; green chemistry

(This special issue belongs to the Section Green Chemistry)

Biomarker for Molecular-Targeted Cancer Therapy

edited by Saeock Oh

submission deadline 10 Oct 2026 | Submission Open

Keywords: biomarkers; chemical biology; targeted cancer therapy; molecular mechanisms; small-molecule probes; druggable pathways; precision oncology

(This special issue belongs to the Section Chemical Biology)

Microfluidics: Applications for Analytical Purposes in Chemistry

edited by