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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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Heterocyclic Chemistry with Applications (Second Edition)

edited by Hachemi Kadri and

Fawaz Aldabbagh

submission deadline 31 Dec 2025 | 4 articles | Viewed by 7296 | Submission Open

Keywords: heterocycles; medicinal chemistry; natural products; organic synthesis; synthetic methods; drug discovery; nucleosides; biologically active heterocycles

(This special issue belongs to the Section Organic Chemistry)

Anticancer Natural Products

edited by Zongtao Tom Lin

submission deadline 31 Dec 2025 | 3 articles | Viewed by 7240 | Submission Open

Keywords: anticancer; drug discovery; chemical biology; natural products; analytical methods; bioactive compounds; cancer therapy

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

Innovative Chemical Pathways for CO₂ Conversion

edited by

Guillermo Díaz Sainz

and Juqin Zeng

submission deadline 31 Dec 2025 | 4 articles | Viewed by 6720 | Submission Open

Keywords: CO2 conversion; chemical reactions; CO2 utilization; CO2 reduction; green chemistry; sustainable chemistry; CO2 recycling; carbon neutrality; renewable energy; carbon footprint reduction; environmental impact; carbon-based fuels; sustainable processes; climate change mitigation; CO2 emissions; energy transition

(This special issue belongs to the Section Green Chemistry)

Synthesized and Functionalized Nanoparticles in Natural Compounds

edited by

Federica Valentini

submission deadline 31 Dec 2025 | 2 articles | Viewed by 6566 | Submission Open

Keywords: nanoparticles; green synthesis; two step-based mechanism growth for nanostructures; template synthetic approach; essential oil (EO); functionalized nanoparticles; shape factor (SF); antibacterial features; cytotoxicity properties; cultural heritage reparation; drug delivery and discovery; nano-carrier in biotechnologies

(This special issue belongs to the Section Materials Chemistry)

Synthesis and Applications of Natural Polymers and Their Derivatives

edited by

Misu Moscovici

Guibin Wang

and

Alejandro Rodríguez Pascual

submission deadline 31 Dec 2025 | 3 articles | Viewed by 6529 | Submission Open

Keywords: biological synthesis; semisynthetic derivatives; polysaccharides and polyhydroxyalkanoates; fungal proteins; processing techniques; composites; nanoparticles; biomedical; pharmaceutical; drug delivery systems; food protection applications

(This special issue belongs to the Section Macromolecular Chemistry)

Feature Papers in Photochemistry and Photocatalysis—2nd Edition

edited by

Barbara Bonelli

submission deadline 31 Dec 2025 | 6 articles | Viewed by 6494 | Submission Open

Keywords: photocatalytic processes; quantum yield; solar light; upconversion; heterojunctions

(This special issue belongs to the Section Photochemistry)

Innovative Technologies for Functional Foods Development

edited by

Maria Ciudad-Mulero

Patricia Morales

and

Virginia Fernández-Ruiz

submission deadline 31 Dec 2025 | 3 articles | Viewed by 6423 | Submission Open

Keywords: nutraceuticals; functional foods; plant ingredients; phytochemicals; health claims; in vitro and in vivo studies

(This special issue belongs to the Section Food Chemistry)

Corrosion Electrochemistry: A Themed Issue in Honor of the Many Contributions of Prof. Dr. Changjian Lin

edited by Jiming Hu and Guozhe Meng

submission deadline 31 Dec 2025 | 6 articles | Viewed by 6348 | Submission Open

Keywords: corrosion electrochemistry; corrosion and protection; anti-corrosion coatings; electrochemical test

(This special issue belongs to the Section Electrochemistry)

Exclusive Feature Papers in Inorganic Chemistry, 3rd Edition

edited by

Andrea Bencini

Vito Lippolis

and

Matteo Savastano

submission deadline 31 Dec 2025 | 6 articles | Viewed by 6270 | Submission Open

Keywords: coordination chemistry; metal complexes; metal-based assemblies; inorganic anions; inorganic materials; coordination polymers; functional materials; chemosensors

(This special issue belongs to the Section Inorganic Chemistry)

Advanced Oxidation/Reduction Processes in Water Treatment

edited by Fuxiang Tian and Yuqiong Gao

submission deadline 31 Dec 2025 | 4 articles | Viewed by 6263 | Submission Open

Keywords: advanced oxidation processes; advanced reduction processes; disinfection byproducts; hybrid treatment processes; micropollutant removal; emerging contaminant removal

(This special issue belongs to the Section Green Chemistry)

Small-Molecule Drug Design and Discovery

edited by Qiuqin He

submission deadline 31 Dec 2025 | 4 articles | Viewed by 6170 | Submission Open

Keywords: small-molecule drug design; structure-based drug design; fragment-based drug discovery; PROTAC technology; artificial intelligence technology; biological evaluation

(This special issue belongs to the Section Medicinal Chemistry)

Exclusive Contributions by the Editorial Board Members (EBMs) of the Inorganic Chemistry Section of Molecules 2025

edited by

Athanassios C. Tsipis

submission deadline 31 Dec 2025 | 6 articles | Viewed by 6123 | 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)

Chemistry and Health: Nitrogen Heterocycle Chemistry and Medicinal Chemistry, 2nd Edition

edited by

Costel Moldoveanu

submission deadline 31 Dec 2025 | 4 articles | Viewed by 6037 | Submission Open

Keywords: heterocycles; azines; azoles; anticancer; anti-tuberculosis; antimicrobial; growth factors

(This special issue belongs to the Section Medicinal Chemistry)

Inorganic Chemistry in Europe 2025

edited by

Wolfgang Weigand

and

Sotiris K Hadjikakou

submission deadline 31 Dec 2025 | 4 articles | Viewed by 5889 | Submission Open

Keywords: inorganic chemistry (main group and transition metal chemistry); coordination and organometallic chemistry; bioinorganic chemistry; sustainable catalysis and green chemistry; nanotechnology and smart materials; energy storage and conversion; metallodrugs and imaging agents; computational chemistry and AI in material science

(This special issue belongs to the Section Inorganic Chemistry)

Chemical Profiling of Plant Extracts with Antioxidant Activity: Identification of Bioactive Compounds

edited by

Marcos Soto-Hernández

submission deadline 31 Dec 2025 | 2 articles | Viewed by 5796 | Submission Open

Keywords: flavonoids; phenolic acids; terpenoids; anthocyanins; antioxidant activity; chemical profiling

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

New Sights in Nanomaterials for Photoelectrochemistry

edited by Yibo Yan

submission deadline 31 Dec 2025 | 2 articles | Viewed by 5778 | Submission Open

Keywords: photoelectrochemical catalysis; photoelectrochemical cells; photoelectrochemical sensors; photoelectrochemical characterizations; photoelectrochemical conversion; photoelectrochemical transformations; optoelectronic devices; photoelectrochemical CO2 reduction

(This special issue belongs to the Section Nanochemistry)

Synthesis and Applications of Nanoparticles and Multifunctional Nanocomposites

edited by

Alexandru Mihai Grumezescu

Florian V. Dumitrache

and Iulia Ioana Lungu

submission deadline 31 Dec 2025 | 5 articles | Viewed by 5778 | Submission Open

Keywords: nanoparticles; nanocomposites; synthesis; multifunctional platforms

(This special issue belongs to the Section Nanochemistry)

Advances in Photocatalytic Degradation of Organic Pollutants

edited by Qianqian Liu, Quan Zhang and

Jing Ding

submission deadline 31 Dec 2025 | 3 articles | Viewed by 5698 | Submission Open

Keywords: photocatalysis; photocatalytic degradation of organic pollutants; functional materials; semiconductor photocatalysts; DFT

(This special issue belongs to the Section Green Chemistry)

Plant Volatile Organic Compounds: Extraction, Characterization and Biological Activities

edited by

Ana Lima

and

Elisabete Maria de Castro Lima

submission deadline 31 Dec 2025 | 3 articles | Viewed by 5515 | Submission Open

Keywords: plant volatile organic compounds; biosynthesis and emission; essential oils; biological activities; green extraction; omics technologies; circular bioeconomy

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

Women’s Special Issue Series: Molecules

edited by

Laura Zaccaro

Simona Golič Grdadolnik

Li Du

and

Mariana Ghica

submission deadline 31 Dec 2025 | 3 articles | Viewed by 5413 | Submission Open

Keywords: organic chemistry; medicinal chemistry; natural products chemistry; inorganic chemistry; physical chemistry; material chemistry; chemical biology; analytical chemistry; supramolecular chemistry; theoretical chemistry; green chemistry; photochemistry

Bioactive Molecules in Foods: From Sources to Functional Applications

edited by

Anna Jakubczyk

Kamila Rybczyńska-Tkaczyk

and

Katarzyna Lisiecka

submission deadline 31 Dec 2025 | 3 articles | Viewed by 5325 | Submission Open

Keywords: food compounds; biological activity; nutrition; health; food products; diet supplementary

(This special issue belongs to the Section Food Chemistry)

The Design, Synthesis, and Biological Activity of New Drug Candidates, 2nd Edition

edited by Carolina S. Marques,

Pedro Brandão

and

Anthony J. Burke

submission deadline 31 Dec 2025 | 4 articles | Viewed by 5115 | Submission Open

Keywords: bioactive; in silico; in vitro; in vivo; ADMET; synthesis; privilege scaffold; active pharmaceutical ingredients

(This special issue belongs to the Section Medicinal Chemistry)

Active Ingredients in Functional Foods and Their Impact on Health, 2nd Edition

edited by

Anna Puścion-Jakubik

submission deadline 31 Dec 2025 | 3 articles | Viewed by 4956 | Submission Open

Keywords: functional foods; active ingredients; bioactive compounds; health impact; nutraceuticals; dietary patterns; personalized nutrition

(This special issue belongs to the Section Food Chemistry)

Vibrational Spectroscopy and Imaging for Chemical Application

edited by

Barry K. Lavine

and

Karl Booksh

submission deadline 31 Dec 2025 | 4 articles | Viewed by 4896 | Submission Open

Keywords: Raman spectroscopy; infrared spectroscopy; Raman image analysis; infrared image analysis; chemometrics; multiway analysis; multivariate curve resolution; alternating least squares; multivariate image analysis; classification; machine learning

(This special issue belongs to the Section Analytical Chemistry)

Design, Synthesis, and Catalytic Applications of Metal Complexes

edited by

Mei Wang

submission deadline 31 Dec 2025 | 3 articles | Viewed by 4637 | Submission Open

Keywords: metal complex; metal-based material; catalysis: electrocatalysis; photocatalysis; thermocatalysis

(This special issue belongs to the Section Applied Chemistry)

Between Solid-State NMR and Nanoscience—a Long Journey with Great Perspectives: A Themed Issue in Honor of Professor Jacek Klinowski

edited by Leszek Stobinski and

Teobald Kupka

submission deadline 31 Dec 2025 | 3 articles | Viewed by 4629 | Submission Open

Keywords: solid-state NMR; NMR; zeolites; ordered carbon nanostructures; MOFs; mathematics in crystallography

(This special issue belongs to the Section Physical Chemistry)

Ionic Liquids and Deep Eutectic Solvents in Catalysis: Current Status and Future Outlook

edited by

Ignacio López-Coca

and Peter A. Goodrich

submission deadline 31 Dec 2025 | 3 articles | Viewed by 4600 | Submission Open

Keywords: ionic liquids; deep eutectic solvents; green chemistry; catalysis; sustainable synthesis; homogeneous catalysis; heterogeneous catalysis; enzymatic catalysis; microwave irradiation; ultrasonic activation

(This special issue belongs to the Section Green Chemistry)

Discovery of Microbial Natural Products

edited by

Yun Kwon

and

Sang-Jip Nam

submission deadline 31 Dec 2025 | 3 articles | Viewed by 4391 | Submission Open

Keywords: microbial natural products; determination of structure; microorganism; drug candidate; bioactive secondary metabolites; microbial biotechnology

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

Low-Dimensional Nanomaterials: Chemical Functionalization and Advanced Applications

edited by

Lin Wang

and

Jing Li

submission deadline 31 Dec 2025 | 3 articles | Viewed by 4242 | Submission Open

Keywords: low-dimensional materials; nanomaterials; surface characterization; chemical functionalization; surface spectroscopy; interface engineering; two-dimensional materials; surface modification; nanotechnology; surface reactivity

(This special issue belongs to the Section Materials Chemistry)

Cross-Coupling and Related Reactions: Past and New Reactions for the Future

edited by

Viktor Iaroshenko

and Satenik Mkrtchyan

submission deadline 31 Dec 2025 | 1 articles | Viewed by 4224 | Submission Open

Keywords: C-C- cross coupling reactions; C-C bond formation by transition metal catalysis; C-C bond formation by organocatalysis; C-C bond formation by photoredox catalysis; C-C bond formation by enzymatic catalysis; sustainability; green chemistry; new trends in C-C bond formation

(This special issue belongs to the Section Organic Chemistry)

Biological Evaluation of Plant Extracts

edited by

Rumyana Simeonova

submission deadline 31 Dec 2025 | 6 articles | Viewed by 3991 | Submission Open

Keywords: medicinal plants; phytochemistry; phytopharmacology; metabolomics; proteomics; cell signalization

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

Solar Energy Conversion and Information Interpretation Based on Novel Nanotechnologies

edited by

Ming-Yu Li

and

Sisi Liu

submission deadline 31 Dec 2025 | 2 articles | Viewed by 3991 | Submission Open

Keywords: catalytic materials and applications; solar cells; photodetection; materials synthesis and characterizations; materials theory and principles; nanostructures and nanomaterials; optoelectronic materials; photovoltaics photocatalysis materials; plasmonics and applications; sensors and applications

(This special issue belongs to the Section Materials Chemistry)

Exploring the Therapeutic Potential of Natural Antioxidants

edited by

Dong Wook Shin

submission deadline 31 Dec 2025 | 3 articles | Viewed by 3929 | Submission Open

Keywords: oxidant stress; antioxidants; age; age-related disease; natural plants; polyphenol; fermentation

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

Advances in Natural Fiber Composites

edited by

Pietro Russo

submission deadline 31 Dec 2025 | 1 articles | Viewed by 3816 | Submission Open

Keywords: natural fibers; polymer composites; natural fiber-reinforced polymers; heterogeneous structures; complex interfaces

(This special issue belongs to the Section Macromolecular Chemistry)

Functional Heterocyclic Compounds with Outstanding Biological Activities

edited by

Oana Maria Dragostin

and

Maria Luisa Di Gioia

submission deadline 31 Dec 2025 | 2 articles | Viewed by 3771 | Submission Open

Keywords: pharmaceutical chemistry; bioactive heterocyclic compounds; antitumor extracts; plant extract– synthetic substances associations; biocompatibility; nontoxicity

(This special issue belongs to the Section Medicinal Chemistry)

Magnetic Targeted Nanomaterials and Applications in Drug Delivery and Diagnostics

edited by

Athanasios Skouras

Sophia G. Antimisiaris

and

Alexandru Mihai Grumezescu

submission deadline 31 Dec 2025 | 3 articles | Viewed by 3723 | Submission Open

Keywords: magnetic targeting; theranostics; drug delivery; nanomaterials; magnetic hyperthermia

(This special issue belongs to the Section Nanochemistry)

BODIPYs: State of the Art and Future Perspectives

edited by

Jorge Bañuelos Prieto

and

Edurne Avellanal-Zaballa

submission deadline 31 Dec 2025 | 3 articles | Viewed by 3517 | Submission Open

Keywords: BODIPYs; spectroscopy; synthesis; quantum mechanics; tunable laser; bioimaging; photodynamic therapy; optoelectronics

(This special issue belongs to the Section Colorants)

Synthesis of Nanomaterials and Their Applications in Biomedicine—2nd Edition

edited by

Nefeli Lagopati

submission deadline 31 Dec 2025 | 1 articles | Viewed by 3419 | Submission Open

Keywords: nanomaterials; biomaterials; synthesis; characterization; diagnosis; treatment; cytotoxicity; biocompatibility

(This special issue belongs to the Section Materials Chemistry)

Intermolecular Interaction Predictions for Large Molecular Systems

edited by

Shuhua Li

and Wei Li

submission deadline 31 Dec 2025 | 2 articles | Viewed by 3409 | Submission Open

Keywords: intermolecular interactions; low scaling quantum chemistry; machine learning; experimental techniques; computational predictions

(This special issue belongs to the Section Physical Chemistry)

Insight into Electrochemical and Photocatalysis/Photoelectrochemical Hydrogen Evolution

edited by

Yanxin Chen

submission deadline 31 Dec 2025 | 2 articles | Viewed by 3364 | Submission Open

Keywords: hydrogen evolution reactions (HER); hydrogen production; electrocatalysts (electrocatalysis); photocatalysts (photocatalysis); photoelectrochemical (PEC); energy conversion; (nano)materials

(This special issue belongs to the Section Materials Chemistry)

Innovations in Metal–Organic Frameworks: Their Synthesis, Properties and Multifaceted Applications

edited by

Francis Verpoort

and

Cheng-Xing Cui

submission deadline 31 Dec 2025 | 2 articles | Viewed by 3134 | Submission Open

Keywords: MOFs; heterogeneous catalysis; storage; adsorption; photocatalysis; fluorescent sensors; electronic devices

(This special issue belongs to the Section Materials Chemistry)

Anticancer Computational Drug Discovery: New Approaches, New Targets, and New Treatments

edited by

H. Andy Zhong

submission deadline 31 Dec 2025 | 1 articles | Viewed by 3010 | Submission Open

Keywords: anticancer; structure-based drug design; de novo drug design; artificial intelligence (AI); big data machine learning and virtual screening

(This special issue belongs to the Section Medicinal Chemistry)

Development and Application of Environmentally Friendly Surfactants

edited by Christina Vakh

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2817 | Submission Open

Keywords: surfactants; green analysis; synthesis of sustainable surfactants; application of sustainable surfactants

(This special issue belongs to the Section Green Chemistry)

Advances in Extraction, Biological Activity of Natural Products and Their Derivatives

edited by Ernesto Santoro and

Antonio Evidente

submission deadline 31 Dec 2025 | 3 articles | Viewed by 2781 | Submission Open

Keywords: novel extraction; absolute configuration; supercritical fluid; microwave-assisted extraction; natural products

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

Nanomaterials in Photochemical Devices: Advances and Applications

edited by

Braulio García-Cámara

submission deadline 31 Dec 2025 | 3 articles | Viewed by 2703 | Submission Open

Keywords: nanomaterials; photochemistry; photocatalysis; nanoparticles; energy conversion; environmental remediation; biomedical applications; photoacoustic imaging

(This special issue belongs to the Section Photochemistry)

Zeolites and Related Materials

edited by Svetlana Mintova and Eddy Dib

submission deadline 31 Dec 2025 | 1 articles | Viewed by 2504 | Submission Open

Keywords: zeolites; crystal growth; structures; molecular interactions; diffusion; in situ

(This special issue belongs to the Section Materials Chemistry)

Functional Hybrid Materials via Sol–Gel Processing: Design and Properties

edited by

Erika Andrea Levei

submission deadline 31 Dec 2025 | 1 articles | Viewed by 2489 | Submission Open

Keywords: sol– gel synthesis; hybrid materials; biomedicine; encapsulation of biomolecules; catalysis; magnetic behavior; structural properties; thermal behavior

(This special issue belongs to the Section Materials Chemistry)

Ionic Liquids and Molecular Materials: Advances in Functional Interfaces and Applications

edited by

José C. S. Costa

and

Yuji Matsumoto

submission deadline 31 Dec 2025 | 3 articles | Viewed by 2390 | Submission Open

Keywords: ionic fluids; bulk properties; surface and interfacial properties; thin films; vacuum engineering; energy harvesting and storage; functional materials

(This special issue belongs to the Section Physical Chemistry)

New Horizons in Heterogeneous Catalysts: From Design to Applications

edited by