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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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Synergistic Effect in Nanomaterials for Electrocatalytic Hydrogen and Oxygen Conversion

edited by

Ce Han

submission deadline 30 Sep 2026 | Viewed by 232 | Submission Open

Keywords: electrocatalysis; fuel cell catalysts; electrochemical carbon dioxide reduction; hydrogen evolution reaction; oxygen evolution reaction; water splitting

(This special issue belongs to the Section Electrochemistry)

Advancements and Applications of Organocatalysis in Sustainable Chemistry

edited by

Carmela De Risi

submission deadline 30 Sep 2026 | Viewed by 232 | Submission Open

Keywords: organocatalysis; synergistic organocatalysis; green synthesis; pharmaceutical and fine chemical synthesis; polymer synthesis; biomass and feedstock valorization; process intensification

(This special issue belongs to the Section Organic Chemistry)

Potential of Natural Extracts for Cosmetics

edited by

Elzbieta Sikora

and

Magdalena Anna Malinowska

submission deadline 30 Sep 2026 | Viewed by 230 | Submission Open

Keywords: natural extracts; cosmetic applications; delivery system; pharmacological activity; bioactive compounds; therapeutic potential; medicinal plants; drug discovery; phytochemistry

(This special issue belongs to the Section Medicinal Chemistry)

A Closer Look into Advanced Oxidation Processes for Water Remediation

edited by

Seshibe S. Makgato

submission deadline 30 Sep 2026 | Viewed by 221 | Submission Open

Keywords: advanced oxidation processes; water remediation; photocatalysis; hydroxyl radicals; emerging contaminants; pharmaceutical pollutants; fenton and photo-Fenton; ozonation; persulfate activation; electrochemical oxidation; catalyst development; reaction kinetics; degradation mechanisms; toxicity assessment; hybrid treatment systems; sustainable water treatment

(This special issue belongs to the Section Green Chemistry)

The Chemistry of Honey and Other Bee Products: Novel Applications and Quality, 2nd Edition

edited by

Soraia I. Falcão

submission deadline 30 Sep 2026 | Viewed by 219 | Submission Open

Keywords: bee products; food; cosmetic and pharmaceutical applications; beehive as a source of functional ingredients; health-promoting food; quality criteria and standards; botanical and geographical origin; target compounds for quality assessment; phenolic compounds

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

Photochemical Attenuation of Contaminants

edited by

Davide Vione

submission deadline 30 Sep 2026 | Viewed by 218 | 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)

Physicochemical and Bioactive Properties of Foods: Structure, Function, and Technological Potential

edited by

Jackline Freitas Brilhante De Sao Jose

submission deadline 30 Sep 2026 | Viewed by 211 | Submission Open

Keywords: physicochemical properties; bioactive compounds; food structure; characterization methods; processing technologies; encapsulation; bioavailability; food rheology

(This special issue belongs to the Section Food Chemistry)

Advances and Challenges in Luminescent Nanomaterials: From Synthesis to Applications

edited by

Vesna Lojpur

and

Tijana Stamenković

submission deadline 30 Sep 2026 | Viewed by 207 | Submission Open

Keywords: spectroscopy of luminescent materials; fundamental properties of luminescent materials; luminescence mechanisms; characterization of luminescent materials; luminescence thermometry; bio-sensors

(This special issue belongs to the Section Nanochemistry)

Lignin–Chemistry & Materials: An Update

edited by

Heiko Lange

, Luca Zoia and Federica Ferruti

submission deadline 30 Sep 2026 | Viewed by 204 | Submission Open

Keywords: biorefinery; lignin; structural characterisation; fractionation; aromatics; nanomaterials; performance (co-)polymers

(This special issue belongs to the Section Green Chemistry)

Biomedical Applications of Natural and Synthetic Antioxidants

edited by

Giovanni N. Roviello

and

Valentina Mittova

submission deadline 30 Sep 2026 | Viewed by 201 | Submission Open

Keywords: oxidative stress; natural antioxidants; synthetic antioxidant molecules; antioxidant application

(This special issue belongs to the Section Medicinal Chemistry)

New Insights in Pharmaceutical Analytical Chemistry

edited by

Van Schepdael Ann

submission deadline 30 Sep 2026 | Viewed by 198 | Submission Open

Keywords: entire drug life cycle; separation techniques; spectrometric techniques; sensors; multidisciplinary tools; emerging trends

(This special issue belongs to the Section Analytical Chemistry)

Green and Bio-Based Materials for Environmental Remediation, Protection, and Sustainable Technologies: Feature Reviews

edited by

Jesús Porcayo-Calderón

and

Aurora Margarita Pat Espadas

submission deadline 30 Sep 2026 | Viewed by 198 | Submission Open

Keywords: green materials; bio-based materials; environmental remediation; sustainable materials; green corrosion inhibitors; biomass-derived compounds; eco-friendly coatings

(This special issue belongs to the Section Applied Chemistry)

Biomedical Applications of Hydrogels: Current Status and Advances

edited by Miriam Di Martino and

Simona Concilio

submission deadline 30 Sep 2026 | Viewed by 180 | Submission Open

Keywords: hydrogels; injectable hydrogels; stimuli-responsive hydrogels; drug delivery; gene delivery; wound healing; tissue engineering; regenerative medicine; 3D bioprinting; biosensing

(This special issue belongs to the Section Macromolecular Chemistry)

QSAR and QSPR: Recent Developments and Applications, 5th Edition

edited by

Bono Lučić

submission deadline 1 Oct 2026 | 1 articles | Viewed by 847 | Submission Open

Keywords: QSAR/QSPR modelling; development of molecular descriptors; molecular structure representation; data mining; machine learning; regression QSAR/QSPR modelling; classification QSAR/QSPR modelling; model optimization protocols; model validation algorithms; model quality metrics; random accuracy; ensemble QSAR/QSPR modelling; applicability domain; QSAR/QSPR model interpretation; comparative modelling; drug design; drug discovery; environmentally-relevant activity; biological activity; physicochemical property

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

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 391 | 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

Sae-Ock Oh

submission deadline 10 Oct 2026 | 2 articles | Viewed by 1821 | 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)

Biologically Active Compounds in Functional Foods

edited by

Dominika Średnicka-Tober

submission deadline 15 Oct 2026 | 2 articles | Viewed by 3837 | Submission Open

Keywords: functional foods; bioactive compounds; vitamins; antioxidants; phenolics; functional ingredients; functional properties; fortified foods; enriched foods; food chemistry; bioavailability; food matrix

(This special issue belongs to the Section Food Chemistry)

Bioactive Compounds from Fruits and Vegetables

edited by

Simona Fabroni

Krystian Marszałek

and

Aldo Todaro

submission deadline 15 Oct 2026 | 3 articles | Viewed by 1790 | Submission Open

Keywords: fruit and veggie products; bioactive compounds; food supplements and formulations; natural compounds; in vitro and in vivo bioavailability; antioxidant efficacy; green extraction and purification

(This special issue belongs to the Section Food Chemistry)

Computationally Guided Medicinal Chemistry: Molecular Modeling, Scaffold Design, and Multi-Target Drug Discovery

edited by

Vassilios Myrianthopoulos

Alessia Bono

Annamaria Martorana

and

Antonino Lauria

submission deadline 15 Oct 2026 | 2 articles | Viewed by 1276 | Submission Open

Keywords: rational drug design; multi-target drug discovery; drug repurposing; scaffold design; computer-aided drug design (CADD); molecular modeling; predictive modeling

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

Ultrasounds and Microwave Assisted Reactions as Modern Eco-Friendly Useful Tools in Medicinal Chemistry

edited by

Ionel Mangalagiu

submission deadline 15 Oct 2026 | Viewed by 300 | Submission Open

Keywords: microwave; microwave and ultrasounds; synthesis; cycloadditions; heterocycles; anticancer; antituberculosis; antimicrobials; anti-HIV; other biological activities; fluorescent derivatives for medicinal chemistry

(This special issue belongs to the Section Medicinal Chemistry)

Microfluidics: Applications for Analytical Purposes in Chemistry

edited by

Jiao Zhai

and

Yanwei Jia

submission deadline 15 Oct 2026 | Viewed by 289 | Submission Open

Keywords: microfluidics; chemical analysis; lab-on-a-chip; biosensing

(This special issue belongs to the Section Analytical Chemistry)

Advances in Valorization Strategies for Grape By-Products

edited by

Tzonka Ivanova Godjevargova

and Yavor Lukanov Ivanov

submission deadline 15 Oct 2026 | Viewed by 245 | Submission Open

Keywords: grape by-products; valuable biologically active substances; biological activity; antioxidant, anti-inflammatory, antimicrobial and anticancer; green extraction; storage conditions; plant extracts, providing synergistic action; stabilization of purified extracts; cosmetics, food industry, medicine; biodegradable packaging films

(This special issue belongs to the Section Food Chemistry)

Phenolic Compounds from Plants

edited by

Concepción Pérez-Lamela

and

Pawel Gornas

submission deadline 16 Oct 2026 | Viewed by 337 | Submission Open

Keywords: phenolic compounds; analytical methods; chemical structure; biological activities; bioavailability

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

Advances in Organic Synthesis in Pharmaceuticals, Agrochemicals and Materials—2nd Edition

edited by Zhao-Yang Wang and Le Li

submission deadline 30 Oct 2026 | 2 articles | Viewed by 1633 | Submission Open

Keywords: organic synthetic methods; synthesize pharmaceuticals, agrochemicals, and materials; organic photosynthesis; organic electrochemical synthesis; biocatalysis; AI-based organic synthesis

(This special issue belongs to the Section Organic Chemistry)

Radiochemistry: Present Status and Future Perspectives

edited by Gregory P. Holmbeck and

Travis S. Grimes

submission deadline 30 Oct 2026 | 1 articles | Viewed by 1341 | Submission Open

Keywords: actinides; isotope production; nuclear energy; nuclear medicine; radioisotopes; radiolysis; separations; waste management

(This special issue belongs to the Section Medicinal Chemistry)

Bioactive Compounds from Natural Sources: Novel Extraction Methods, Protection and Therapeutic Potential

edited by

Rosalva Mora-Escobedo

Cristian Jiménez Martínez

and Liliana Alamilla

submission deadline 30 Oct 2026 | 1 articles | Viewed by 844 | Submission Open

Keywords: bioactive compounds; natural products; green extraction; purification; separation techniques; encapsulation; nanoencapsulation; therapeutic potential; drug discovery; nutraceuticals; stability; bioavailability

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

Emerging Contaminants in Environmental and Biological Systems: Analytical Challenges and Solutions

edited by

Agnese Giacomino

and

Paolo Inaudi

submission deadline 30 Oct 2026 | Viewed by 311 | Submission Open

Keywords: emerging contaminants; trace analysis; new analytical methods and techniques; food; environmental matrices; sample preparation

(This special issue belongs to the Section Analytical Chemistry)

Thermodynamics of Metal Cation Coordination: From Fundamental Equilibria to Biological and Environmental Systems

edited by Clemente Bretti and Rosita Cappai

submission deadline 30 Oct 2026 | Viewed by 287 | Submission Open

Keywords: chemical speciation; metal cations; thermodynamic; stability constants; complexes; solution equilibria

Synthesis and Chemoenzymatic Approaches to Pharmaceutically Relevant Products and Intermediates

edited by

Elena Pini

, Raffaella Gandolfi and

Giorgio Facchetti

submission deadline 30 Oct 2026 | Viewed by 271 | Submission Open

Keywords: organic synthesis; chemoenzymatic synthesis; active pharmaceutical ingredients (APIs); pharmaceutical intermediates; drug development; organometallic catalysis; stereo-controlled reactions

(This special issue belongs to the Section Organic Chemistry)

Drug Metabolism in Personalized Oncology: From Molecular Mechanisms to Clinical Translation

edited by

Gianluca Catucci

submission deadline 30 Oct 2026 | Viewed by 239 | Submission Open

Keywords: drug metabolism; anticancer drugs; polymorphisms; enzymes; drug biotransformation

(This special issue belongs to the Section Medicinal Chemistry)

Research on Chemical Composition and Activity of Natural Products, 2nd Edition

edited by

Stela Dimitrova

Ana M. Dobreva

and

Petko Denev

submission deadline 31 Oct 2026 | 17 articles | Viewed by 19613 | Submission Open

Keywords: natural bioactive compounds; isolation and analysis; metabolism; in vitro and in vivo experiments; pharmacological study

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

5th Anniversary of Section "Flavours and Fragrances" and 30th Anniversary of Molecules

edited by

Henryk H. Jeleń

submission deadline 31 Oct 2026 | 8 articles | Viewed by 19146 | Submission Open

Keywords: flavor; aroma; taste; fragrances; volatilomics; flavoromics; sensomics; food flavors; analysis of flavor compounds

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

Anti-Aging and Skin Rejuvenation Ingredients: Design and Research

edited by

Anca Maria Juncan

Luca-Liviu Rus

and Daniela Lucia Muntean

submission deadline 31 Oct 2026 | 7 articles | Viewed by 13450 | Submission Open

Keywords: anti-aging ingredients; skin rejuvenation; nutricosmetics and cosmeceuticals; bioactive compounds; formulation and delivery systems; extracellular matrix and skin biology; in silico, in vitro and in vivo assessment

(This special issue belongs to the Section Applied Chemistry)

Design, Synthesis and Biological Evaluation of Medicinal Potential Compounds—2nd Edition

edited by

Renato Emanuel Felix Boto

and

Samuel Martins Silvestre

submission deadline 31 Oct 2026 | 8 articles | Viewed by 8868 | Submission Open

Keywords: bioactive compounds; design; synthesis; biological evaluation; in silico evaluation; in vitro evaluation; in vivo evaluation

(This special issue belongs to the Section Medicinal Chemistry)

Green Chemistry and Molecular Tools in Agriculture

edited by

Ewa Szpunar-Krok

and

Maria Czernicka

submission deadline 31 Oct 2026 | 7 articles | Viewed by 8743 | Submission Open

Keywords: sustainable agriculture; green chemistry; agri-food by-products; bioactive compounds; biostimulants; circular economy; molecular tools; eco-friendly agrochemicals; soil health; precision agriculture

(This special issue belongs to the Section Green Chemistry)

Synthesis and Derivatization of Heterocyclic Compounds

edited by Philipp Natho and

Marco Colella

submission deadline 31 Oct 2026 | 7 articles | Viewed by 8010 | Submission Open

Keywords: heterocyclic compounds; spirocyclic compounds; enabling technology; synthetic methodologies; strained heterocycles; medicinal chemistry; fused compounds

(This special issue belongs to the Section Organic Chemistry)

Functional Foods: Bioactive Compounds, Antioxidants and Anti-Inflammatory Activities, 2nd Edition

edited by

Mirjana B. Pešić

Bojana Vidović

and

Danijel D. Milinčić

submission deadline 31 Oct 2026 | 10 articles | Viewed by 7862 | Submission Open

Keywords: functional foods; bioactive compounds; antioxidants; anti-inflammatory; nutraceuticals; isolation of bioactives; interactions of bioactives; food matrix; bioaccessibility; bioavailability

(This special issue belongs to the Section Food Chemistry)

Bioactive Properties and Chemical Composition of Wild Edible Species, 2nd Edition

edited by Spyridon Petropoulos

submission deadline 31 Oct 2026 | 5 articles | Viewed by 6516 | Submission Open

Keywords: wild edible species; bioactive properties; polyphenols; antioxidant activity; antimicrobial properties; carotenoids; vitamins

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

NMR and MRI in Materials Analysis: Opportunities and Challenges

edited by

Igor Serša

submission deadline 31 Oct 2026 | 6 articles | Viewed by 6416 | Submission Open

Keywords: molecular dynamics and transport phenomena in polymers; hardening reactions in materials; magnetic resonance in analysis of pharmaceutical products; contrast agents; chemistry of wood and its products; thermal and other types of processing of foods; electrochemistry and transport phenomena in batteries and other energy storage devices

Natural Products with Pharmaceutical Activities, 2nd Edition

edited by

Sokcheon Pak

and

Soo Liang Ooi

submission deadline 31 Oct 2026 | 4 articles | Viewed by 6262 | Submission Open

Keywords: bioactive compounds; drug discovery; natural product chemistry; pharmacological evaluation; structure–activity relationship

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

Catalytic Materials for Energy and Environment: Preparation, Properties and Applications

edited by

Ana Paula Da Costa Ribeiro

and Yanfei Xu

submission deadline 31 Oct 2026 | 3 articles | Viewed by 5433 | Submission Open

Keywords: biomass conversion; CO2 hydrogenation; plastic degradation; alkane dehydrogenation; syngas conversion; methane reforming; catalysts for energy and environment; catalytic mechanism

(This special issue belongs to the Section Materials Chemistry)

Nanochemistry in Asia

edited by Lei Huang and

Feng Hu

submission deadline 31 Oct 2026 | 5 articles | Viewed by 5236 | Submission Open

Keywords: nanochemistry; nanomaterials; nanomedicine; nanotoxicity; nanocatalysis

(This special issue belongs to the Section Nanochemistry)

Plant Metabolites: Isolation, Phytochemistry, and Biological Activities

edited by

Dagmara Wróbel-Biedrawa

, Karolina Grabowska and

Luca Rastrelli

submission deadline 31 Oct 2026 | 3 articles | Viewed by 4710 | Submission Open

Keywords: isolation; plant metabolites; plant extracts; medicinal plants; biological activity assessment

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

Recent Advances in Catalysts for Biomass Conversion

edited by

Minghao Li

and Chunlin Chen

submission deadline 31 Oct 2026 | 1 articles | Viewed by 4314 | Submission Open

Keywords: biomass utilization; biomass platform chemicals; lignocellulose model compounds; catalysis; bio-based materials

Terpenes and Their Derivatives: From Nature to Medical Applications

edited by

Linfu Liang

Anwar Rayan

and

Barbara De Filippis

submission deadline 31 Oct 2026 | 2 articles | Viewed by 3555 | Submission Open

Keywords: terpenes; plants; animals; microbes; extraction technologies; structure elucidation; chemical synthesis and biosynthesis; biological investigation

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

Novel Antiparasitic Molecules for Neglected Tropical Diseases

edited by

Carlos Monteiro

submission deadline 31 Oct 2026 | 5 articles | Viewed by 3547 | Submission Open

Keywords: neglected tropical diseases; antiparasitic agents; drug design and discovery; structure–activity relationships; drug resistance

(This special issue belongs to the Section Medicinal Chemistry)

Advanced Oxidation of Emerging Pollutants in Water

edited by Rongfang Yuan

submission deadline 31 Oct 2026 | 1 articles | Viewed by 3379 | Submission Open

Keywords: advanced oxidation; photocatalytic oxidation; photoelectrocatalytic processes; ultrasonic irradiation; peroxymonosulfate activation; emerging pollutants; water treatment

(This special issue belongs to the Section Green Chemistry)

Plant and Animal Bioreactors: Insights into Bioactive Molecules for Therapeutic Innovation

edited by

Katarzyna Wiktorska

and

Agata Kućko

submission deadline 31 Oct 2026 | 1 articles | Viewed by 3181 | Submission Open

Keywords: plant bioreactors; animal bioreactors; bioproduction; plant metabolites; plant hormones; biologics; biosimilars; drug research and development; nutraceuticals; plant engineering; pharmaceutical biotechnology; agricultural biotechnology; bioactive molecules

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

Advances in Textile Coloration and Finishing for Sustainable and Smart Textiles

edited by