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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 Adsorbent Materials for Environmental Applications

edited by

Angelo Fenti

and

Pasquale Iovino

submission deadline 31 Aug 2026 | Viewed by 58 | 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)

Novel Strategies in Drug Discovery of Parasitic Diseases

edited by

Rafael Balana-Fouce

and

Celia Fernández-Rubio

submission deadline 31 Aug 2026 | Viewed by 57 | Submission Open

Keywords: parasitic diseases; drug discovery; antiparasitic agents; drug resistance; molecular targets; natural products; computational drug design; drug repurposing

(This special issue belongs to the Section Medicinal Chemistry)

Lipids and Surfactants in Drug Discovery, Development and Delivery Systems

edited by

Katarina Nikolić

and

Marija Popovic-Nikolic

submission deadline 31 Aug 2026 | Viewed by 55 | Submission Open

Keywords: micelles; liposomes; micro- and nano-emulsions; solubility; physicochemical and pharmacokinetic properties; drug design; controlled release; drug discovery; drug development

(This special issue belongs to the Section Medicinal Chemistry)

Peptide and Protein Folding

edited by

Yuji Hidaka

Mahesh Narayan

and

Michio Iwaoka

submission deadline 31 Aug 2026 | Viewed by 53 | 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 47 | 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)

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

edited by

Agnieszka Ewa Wiącek

submission deadline 31 Aug 2026 | Viewed by 45 | Submission Open

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

(This special issue belongs to the Section Macromolecular 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 39 | 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)

Heterocyclic Compounds Against Cancer and Neurodegenerative Diseases

edited by

Elena Cichero

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

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

(This special issue belongs to the Section Medicinal Chemistry)

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

edited by

Si Amar Dahoumane

submission deadline 31 Aug 2026 | Viewed by 29 | Submission Open

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

(This special issue belongs to the Section Nanochemistry)

Functional Polymeric Materials for Molecular Recognition and Bioseparation

edited by Chunfang Xie

submission deadline 31 Aug 2026 | Viewed by 29 | 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)

Sustainable Technologies and Green Biomass Applications in Cosmetics and Environmental Protection

edited by

Daniela Şuteu

submission deadline 31 Aug 2026 | Viewed by 27 | Submission Open

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

(This special issue belongs to the Section Green Chemistry)

Natural and Synthetic Alkaloids in Drug Discovery

edited by Anna K. Przybył and

Francisco Leon

submission deadline 31 Aug 2026 | Viewed by 25 | Submission Open

Keywords: alkaloids; drug discovery; natural products; synthetic modification; medicinal chemistry; structure– activity relationships; pharmacological potential; biotechnological approaches

(This special issue belongs to the Section Medicinal Chemistry)

Sustainable Chemistry with Organophosphorus Compounds

edited by

Petri A. Turhanen

submission deadline 31 Aug 2026 | Viewed by 24 | Submission Open

Keywords: organophosphorus compounds; phosphonates; phosphinates; phosphazenes; bisphosphonates; sustainable chemistry

(This special issue belongs to the Section Green 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 24 | 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)

The Application of Nanomaterials in Drug Delivery

edited by

Maria Antònia Busquets

and

Anna Karewicz

submission deadline 31 Aug 2026 | Viewed by 24 | 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 Foods and Bioactive Ingredients: From Research Through Technology to Product Development

edited by

Zaixiang Lou

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

Keywords: functional foods; bioactive ingredients; extraction technologies; bioavailability; food quality; product development

(This special issue belongs to the Section Food Chemistry)

Advances in Application of Natural Compounds in Skin Repair and Regenerative Medicine

edited by

Katarína Valachová

submission deadline 31 Aug 2026 | Viewed by 5 | Submission Open

Keywords: angiogenesis; anti-inflammatory agents; antioxidants; drug delivery systems; growth factors; natural compounds; skin regeneration; tissue engineering; wound healing

(This special issue belongs to the Section Applied Chemistry)

Nanomaterials for Advanced Electrodes

edited by Le Li and

Charles C. Chusuei

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

Keywords: nanomaterials; electrodes; electrochemistry; surface and interface chemistry; electrocatalysis; electrochemical analysis

(This special issue belongs to the Section Electrochemistry)

Characterization and Instrumental Analysis of Aroma-Active Compounds in Fermented Food and Beverage, the Third Edition

edited by

Yanping L. Qian

submission deadline 31 Aug 2026 | Submission Open

Keywords: fermentation; fermented food production; fermented food flavor; aroma characterization; gas chromatography– mass spectrometry/olfactory (GC-MS/O); sensorial properties; HS-SPME; stir bar and thin-film sorptive extraction

(This special issue belongs to the Section Flavours and Fragrances)

Synthesis, Characterization and Biological Evaluation of Metal-Based Compounds and Their Advanced Delivery Systems

edited by

Eleftherios Halevas

submission deadline 31 Aug 2026 | Submission Open

Keywords: medicinal inorganic chemistry; metallodrugs; drug delivery systems; bioinorganic chemistry; nanomedicine; metal-based therapeutics; targeted therapy

(This special issue belongs to the Section Medicinal Chemistry)

Next-Generation Metal Halides: Luminescence, Stability, and Device Applications

edited by Rastgo Hawrami

submission deadline 31 Aug 2026 | 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)

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

edited by Huicong Xia

submission deadline 1 Sep 2026 | 1 articles | Viewed by 462 | 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 269 | 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 82 | 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 29 | 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)

Recent Advances in the Materials for Sodium-Ion Batteries

edited by

Xihong Zu

submission deadline 15 Sep 2026 | Viewed by 13 | Submission Open

Keywords: sodium-ion battery; cathode Materials; anode materials; electrolyte; multi-scale computational studies; electrode binder; battery recycling

(This special issue belongs to the Section Materials Chemistry)

Innovative Directions in the Development of Functional Food

edited by

Aleksandra Szydłowska

Barbara Sionek

and Danuta Kołożyn-Krajewska

submission deadline 15 Sep 2026 | Viewed by 13 | Submission Open

Keywords: food fermentation; functional food; nutritional value of food; probiotics; prebiotics; texture of food; antioxidant activity; chemical composition

(This special issue belongs to the Section Food 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 313 | 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 19885 | 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)

Featured Reviews in Organometallic Chemistry—Recent Trends and Developments

edited by

Michal Szostak

submission deadline 30 Sep 2026 | 3 articles | Viewed by 8660 | Submission Open

Keywords: organometallic chemistry; complexes; metals; metal– carbon bonding; main group metals; transition metals; lanthanides; catalysis; ligands; metal chemistry; phosphines; N-heterocyclic carbenes; bipyridines; homogeneous catalysis; cross coupling; bond activation; ancillary ligands; photoredox catalysis; asymmetric catalysis; crystallography; spectroscopy

(This special issue belongs to the Section Organometallic Chemistry)

Novel Heterocyclic Compounds: Synthesis and Applications

edited by

Mario Orodnez

and José Luis Viveros-Ceballos

submission deadline 30 Sep 2026 | 4 articles | Viewed by 3485 | 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)

Epoxy Resin Synthesis, Performance and Application Research: Second Edition

edited by

Jin Li

submission deadline 30 Sep 2026 | 1 articles | Viewed by 1068 | Submission Open

Keywords: synthesis; modification; and characterization; curing kinetics and mechanism; epoxy-based nanocomposites; interface characteristics; advanced hardeners; modifiers; and accelerators; thermal; mechanical; and dielectric properties; applications; quantum chemical calculations; molecular design

(This special issue belongs to the Section Macromolecular Chemistry)

New Materials for Gas Capture and Conversion

edited by Jie Xu and Yuandong Yang

submission deadline 30 Sep 2026 | 1 articles | Viewed by 918 | 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 473 | 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)

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 458 | 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)

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)

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 307 | 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)

Functional Adsorption Materials for Catalytic Degradation in Pollution Chemistry

edited by

Chirangano Mangwandi

submission deadline 30 Sep 2026 | Viewed by 305 | 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)

Innovative Nanostructures for Energy and Environmental Applications

edited by

Janardhan Reddy Koduru

submission deadline 30 Sep 2026 | Viewed by 247 | Submission Open

Keywords: nanostructures; energy conversion; environmental applications; quantum dots; nanowires; graphene; MXenes; metal nitrides; 2D materials; 3D materials; sustainable energy; pollutant removal; synthesis techniques; adsorbents; water purification; sustainable materials; green energy technologies; advanced nanomaterials; multifunctional materials; hydrogen production; catalysis

(This special issue belongs to the Section Materials 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 94 | 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)

Recent Research Progress of Novel Ion Adsorbents—2nd Edition

edited by

Elżbieta Grządka

and

Katarzyna Szymczyk

submission deadline 30 Sep 2026 | Viewed by 63 | 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)

Natural Compounds in Modern Therapies, 3rd Edition

edited by

Nina Rembiałkowska

and

Anna Choromańska

submission deadline 30 Sep 2026 | Viewed by 60 | 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)

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

edited by Aras Kartouzian

submission deadline 30 Sep 2026 | Viewed by 60 | 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)

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 59 | 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)

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 59 | 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)

Protein Kinase Inhibitors: Progress, Challenges and New Horizons

edited by

Simona Rapposelli

submission deadline 30 Sep 2026 | Viewed by 56 | 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 55 | 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)

Computational and Integrated Strategies for Natural-Product-Derived Antimicrobials

edited by

Pankaj Pandey

submission deadline 30 Sep 2026 | Viewed by 55 | 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 Biologically Active Compounds as Potential Antitumor, Antimalarial and Antituberculosis Drugs

edited by

Sandra Gemma

and Anna Ramunno

submission deadline 30 Sep 2026 | Viewed by 49 | 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)

Recent Advances in Analytical Methods for Drug Analysis

edited by

Anna Gumieniczek

submission deadline 30 Sep 2026 | Viewed by 44 | 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)

Displaying special issue 1051-1100 on page 22 of 24.

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