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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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Discovery of Microbial Natural Products

edited by

Yun Kwon

and

Sang-Jip Nam

submission deadline 31 Dec 2025 | 3 articles | Viewed by 4056 | 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)

Vibrational Spectroscopy and Imaging for Chemical Application

edited by

Barry K. Lavine

and

Karl Booksh

submission deadline 31 Dec 2025 | 4 articles | Viewed by 4043 | 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)

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 3965 | 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)

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 3909 | 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)

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 3802 | 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)

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 | 2 articles | Viewed by 3787 | 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)

Low-Dimensional Nanomaterials: Chemical Functionalization and Advanced Applications

edited by

Lin Wang

and

Jing Li

submission deadline 31 Dec 2025 | 3 articles | Viewed by 3591 | 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)

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 3553 | 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 3422 | Submission Open

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

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

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

edited by

Nefeli Lagopati

submission deadline 31 Dec 2025 | 1 articles | Viewed by 3197 | Submission Open

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

(This special issue belongs to the Section Materials Chemistry)

Advances in Natural Products and Their Biological Activities—2nd Edition

edited by

Irwin Rose Alencar Menezes

Henrique Douglas Melo Coutinho

, Roseli Barbosa and Francisco Assis Bezerra Da Cunha

submission deadline 31 Dec 2025 | 3 articles | Viewed by 3141 | Submission Open

Keywords: phytochemical; natural product; phytotherapy; medicinal plants; biological activity; pharmaceutical formulations; biological activity; pharmacological or toxicology effects

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

Insight into Electrochemical and Photocatalysis/Photoelectrochemical Hydrogen Evolution

edited by

Yanxin Chen

submission deadline 31 Dec 2025 | 2 articles | Viewed by 3033 | 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)

Advances in Natural Fiber Composites

edited by

Pietro Russo

submission deadline 31 Dec 2025 | 1 articles | Viewed by 2978 | Submission Open

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

(This special issue belongs to the Section Macromolecular 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 2870 | Submission Open

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

(This special issue belongs to the Section Materials 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 2866 | Submission Open

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

(This special issue belongs to the Section Nanochemistry)

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 2822 | 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)

BODIPYs: State of the Art and Future Perspectives

edited by

Jorge Bañuelos Prieto

and

Edurne Avellanal-Zaballa

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2788 | Submission Open

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

(This special issue belongs to the Section Colorants)

Intermolecular Interaction Predictions for Large Molecular Systems

edited by

Shuhua Li

and Wei Li

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2784 | Submission Open

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

(This special issue belongs to the Section Physical Chemistry)

Isolation, Characterization, and Application of Anticancer Agents from Natural Products

edited by

Ewa Skała

and

Agnieszka Kicel

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2752 | Submission Open

Keywords: medicinal plants; bioactive phytochemicals; cytotoxic activity; oxidative stress; anticancer potential; mechanism of action; cancer cells

(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 Dec 2025 | 1 articles | Viewed by 2691 | Submission Open

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

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 2633 | 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)

Advances in Nanomaterials for Biomedical Applications, 2nd Edition

edited by Xueen Jia and Ce Zhang

submission deadline 31 Dec 2025 | 1 articles | Viewed by 2438 | Submission Open

Keywords: 2D nanomaterials; metal– organic frameworks (MOFs); metasurfaces; biosensor; drug delivery

(This special issue belongs to the Section Nanochemistry)

Functional Foods Enriched with Natural Bioactive Compounds

edited by

Natalia Drabińska

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2377 | Submission Open

Keywords: functional food; bioactive compounds; phytochemicals; fortification; valorization; by-products; polyphenols; glucosinolates; gluten-free; probiotics; prebiotics; health benefits; sensory analysis; bioavailability

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

Functional Materials for Small Molecule Electrocatalysis

edited by

Feng Hu

, Linlin Li and Qingxue Lai

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2242 | Submission Open

Keywords: electrocatalysis; nanomaterials; electrochemical conversion of H2O; CO2 and N2

(This special issue belongs to the Section Nanochemistry)

Zeolites and Related Materials

edited by Svetlana Mintova and Eddy Dib

submission deadline 31 Dec 2025 | 1 articles | Viewed by 2218 | 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 2190 | 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)

Recent Advances in Organochalcogen Chemistry

edited by

Francesca Mangiavacchi

Damiano Tanini

and

Claudio Santi

submission deadline 31 Dec 2025 | 1 articles | Viewed by 2132 | Submission Open

Keywords: sulfur; selenium; tellurium; chalcogen bond; materials science; synthetic methodologies; catalysis; heterocycles; biomimetics

(This special issue belongs to the Section Organic Chemistry)

Nanomaterials in Photochemical Devices: Advances and Applications

edited by

Braulio García-Cámara

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2083 | Submission Open

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

(This special issue belongs to the Section Photochemistry)

Research on Functional Active Ingredients of Edible Fungi

edited by Tianqiao Yong,

Jia Song

and

Zhaojun Wei

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2064 | Submission Open

Keywords: fungi; compounds; biological activities; uric acid; metabolism; diabetes; cancer; virus

(This special issue belongs to the Section Food Chemistry)

New Horizons in Heterogeneous Catalysts: From Design to Applications

edited by

Xingkun Chen

Yuan Tan

and Ziang Zhao

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1992 | Submission Open

Keywords: single-atom catalyst; nanocatalyst; heterogeneous catalyst; CO2; ester; alcohol; green chemistry

(This special issue belongs to the Section Green Chemistry)

Development and Application of Environmentally Friendly Surfactants

edited by Christina Vakh

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1976 | Submission Open

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

(This special issue belongs to the Section Green Chemistry)

Modern Trends and Solutions in Analytical Chemistry in Poland

edited by

Tomasz Tuzimski

submission deadline 31 Dec 2025 | 4 articles | Viewed by 1954 | Submission Open

Keywords: analytical and physical chemistry; separation sciences; chromatographic methods and related techniques (HPLC; SPE; SFC; GC; CZE; UPLC; GC × GC; and others); sample preparation and extraction techniques (SPE; QuEChERS/d-SPE; SPME; SBSE; HFLPME; DLLME; FUSLE; and others); detection techniques (DAD; FLD; MS; MS/MS; and others); spectrometry; bioanalytics; proteomics; metabolomics; and lipidomics; nanotechnology; environmental sciences; natural product chemistry (isolation; identification and quantification of bioactive compounds; and in vitro and then in vivo investigations on their biological activity); food analysis and food safety; xenobiotics analysis in environmental; biological; and food samples; chemometrics and statistical analysis

(This special issue belongs to the Section Analytical Chemistry)

Ab Initio Multireference Quantum Chemical Investigations of Molecules: Chemical Bonding, Spectroscopy, and Beyond

edited by Isuru R. Ariyarathna

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1934 | Submission Open

Keywords: quantum chemistry; ab initio multireference methods; spectroscopy; chemical bonding; transition metals; lanthanides; actinides

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

NUCLEO-OMICS24

edited by

Giovanni N. Roviello

and

Valentina Mittova

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1932 | Submission Open

Keywords: dynamics of biomacromolecule-ligand interactions; photoactivatable polymeric nanoconstructs for unconventional therapies; NMR-based metabolomics for bioactive natural products; supramolecular architectures and multivalent tools in biomedical applications

(This special issue belongs to the Section Chemical Biology)

Advances in Electrochemical Nanocomposites

edited by

Bishweshwar Pant

and

Gunendra Prasad Ojha

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1909 | Submission Open

Keywords: nanomaterials; nanocomposites; electrocatalysis; electrochemical properties

(This special issue belongs to the Section Applied Chemistry)

G-quadruplexes in Chemical Biology and Drug Discovery

edited by

Stefano D’Errico

, Gennaro Piccialli and Maria Marzano

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1889 | Submission Open

Keywords: DNA; G-quadruplex; telomeres; supramolecular chemistry; oligonucleotides; drug discovery; chemical biology

(This special issue belongs to the Section Medicinal Chemistry)

Molecular Approaches to Drug Design: From Target Identification to Delivery

edited by

Michio Kurosu

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1886 | Submission Open

Keywords: drug design; target identification; drug delivery; protein-based therapeutics; targeted therapy

(This special issue belongs to the Section Medicinal Chemistry)

Biological Evaluation of Plant Extracts

edited by

Rumyana Simeonova

submission deadline 31 Dec 2025 | 3 articles | Viewed by 1884 | Submission Open

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

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

Design and Application Based on Versatile Nano-Composites: Second Edition

edited by

Jingang Yu

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1829 | Submission Open

Keywords: nanoparticles; nanosheets; composites; preparation; application

(This special issue belongs to the Section Nanochemistry)

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 1820 | Submission Open

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

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

Molecular Spectroscopy and Computations of Solvation Phenomena of Bioorganic Molecules: New Insights and Applications

edited by

Teobald Kupka

and

Ioannis P. Gerothanassis

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1703 | Submission Open

Keywords: bioorganic molecules; solvation phenomena; spectroscopic methods; quantum chemical methods

(This special issue belongs to the Section Bioorganic Chemistry)

Advances in European Medicinal Chemistry

edited by

Jorge A. R. Salvador

and

Thomas Mavromoustakos

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1651 | Submission Open

Keywords: medicinal chemistry; drug design; natural compounds; synthesis and analysis; structure-activity relationships; biological screening; chemical biology and biological chemistry; biomaterials; excipients

(This special issue belongs to the Section Medicinal Chemistry)

Organometallic Chemistry in Europe

edited by

Gianpiero Cera

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1634 | 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; supramolecular chemistry; self-assembly; metal–organic assemblies; molecular architectures; supramolecular materials; chemosensors

(This special issue belongs to the Section Organometallic 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 | 2 articles | Viewed by 1606 | 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)

Pharmaceuticals in the Environment: Micropollutants and Degradation Dynamics

edited by Agnieszka Nowak and

Urszula Guzik

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1584 | Submission Open

Keywords: pharmaceuticals; microorganisms; toxicity; micropollutants; biodegradation; biotransformation; advanced oxidation processes; analysis; intermediate identification; chromatography

(This special issue belongs to the Section Green Chemistry)

Spectroscopic Insights into Innovative Materials

edited by Waldeci Paraguassu

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1529 | Submission Open

Keywords: spectroscopic techniques; materials science; electronic structure; chemical composition; surface analysis

(This special issue belongs to the Section Physical Chemistry)

Chemopreventive Activity of Natural Products

edited by

Dimitrios Stagos

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1516 | Submission Open

Keywords: plant extracts; natural compounds; antioxidants; anticancer; polyphenols; ROS-induced DNA damage

(This special issue belongs to the Section Medicinal Chemistry)

Determination of Trace Heavy Metals and Metalloids in Environmental and Food Samples, 3rd Edition

edited by

and Claude F. Boutron

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1504 | Submission Open

Keywords: environmental analytical chemistry; food analytical methods; trace heavy metals and metalloids; chemical speciation; instrumental analysis; new analytical methods and techniques; sample pre-treatment; extreme environments; reviews; emerging environmental issues; emerging food issues; food and “ novel foods” ; insects; climate change and biogeochemical cycles of trace heavy metal(loid)s

(This special issue belongs to the Section Analytical Chemistry)

NMR Spectroscopy in Structural Biology and Drug Discovery Research

edited by

Marilisa Leone

Flavia Anna Mercurio

and

Marian Vincenzi

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1490 | Submission Open

Keywords: solution-NMR; in cell-NMR; solid state-NMR; NMR screening (small molecules and peptides); fragment-based drug discovery; SAR by NMR; ligand-based approaches; target-based approaches; protein-ligand interactions; peptides as drugs; epitope mapping; 19F NMR; chemical shift mapping

(This special issue belongs to the Section Bioorganic Chemistry)

Heavy Metal Pollutants in Water, Wastewater and Sediments: From Occurrence and Determination to Removal and Recovery

edited by