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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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Innovative Chemical Pathways for CO₂ Conversion

edited by

Guillermo Díaz-Sainz

and Juqin Zeng

submission deadline 31 Dec 2025 | 3 articles | Viewed by 1579 | 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)

Development and Application of Environmentally Friendly Surfactants

edited by Christina Vakh

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1548 | Submission Open

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

(This special issue belongs to the Section Green Chemistry)

Food Bioactive Components in Functional Foods and Nutraceuticals

edited by

Maria Aspri

Dimitrios Tsaltas

and

Vlasios Goulas

submission deadline 31 Dec 2025 | 3 articles | Viewed by 1546 | Submission Open

Keywords: functional foods; nutraceuticals; bioactive compounds; health benefits; disease prevention; bioavailability

(This special issue belongs to the Section Food Chemistry)

Solar Energy Conversion and Information Interpretation Based on Novel Nanotechnologies

edited by

Ming-Yu Li

and

Sisi Liu

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1544 | 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)

Zeolites and Related Materials

edited by Svetlana Mintova and Eddy Dib

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1360 | Submission Open

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

(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 1349 | Submission Open

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

(This special issue belongs to the Section Organic Chemistry)

Essential Oils—Third Edition

edited by

Laura De Martino

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1346 | Submission Open

Keywords: essential oils; volatile organic compounds (VOCs); chemical fingerprinting; isoprenoids; gas chromatography-mass spectrometry (GC-MS); nuclear magnetic resonance (NMR) spectroscopy; physiological functions of essential oils in plants; molecular mechanisms of essential oils; in vitro and in vivo bioactivities; antimicrobial agents; anti-infective properties; antioxidant potential; allelopathic interactions; biosynthetic pathways; extraction techniques

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

30th Anniversary of Molecules—Recent Advances in Organic Chemistry

edited by

Maria G. P. M. S. Neves

, Antonia Di Mola and

Nuno M. M. Moura

submission deadline 31 Dec 2025 | 3 articles | Viewed by 1335 | Submission Open

Keywords: organic synthesis; organic chemistry research; theoretical study; reaction mechanisms; catalysis

(This special issue belongs to the Section Organic Chemistry)

Bioactive Compounds and Small Molecules with Neuroprotective and Anti-Inflammatory Functions

edited by

Chiara Porro

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1258 | Submission Open

Keywords: bioactive foods; small molecules; neuroprotection; anti-inflammatory; inflammasome; neurodegeneration

(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 1249 | Submission Open

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

Low-Dimensional Nanomaterials: Chemical Functionalization and Advanced Applications

edited by

Lin Wang

and

Jing Li

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1222 | 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)

Advances in Electrochemical Nanocomposites

edited by

Bishweshwar Pant

and

Gunendra Prasad Ojha

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1214 | Submission Open

Keywords: nanomaterials; nanocomposites; electrocatalysis; electrochemical properties

(This special issue belongs to the Section Applied Chemistry)

Phytochemical Investigation of Bioactive Constituents from Medicinal Plants

edited by

Agnieszka Szewczyk

and

Inga Kwiecien

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1053 | Submission Open

Keywords: primary metabolites; secondary metabolites; biological activity; phytochemistry; natural products; HPLC-analysis; spectral analysis; medicinal plants

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

Chemical Approaches in Water Treatment: Environmental Toxicology and Hygiene Perspectives

edited by

Antonietta Siciliano

and

Lorenzo Saviano

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1049 | Submission Open

Keywords: water treatment technologies; environmental toxicology; hygiene practices; chemical contaminants; eco-friendly water treatment; public health safety; toxicological risk assessment; pollutant removal methods

(This special issue belongs to the Section Green Chemistry)

Intermolecular Interaction Predictions for Large Molecular Systems

edited by

Shuhua Li

and Wei Li

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1030 | Submission Open

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

(This special issue belongs to the Section Physical Chemistry)

Functional Foods Enriched with Natural Bioactive Compounds

edited by

Natalia Drabińska

submission deadline 31 Dec 2025 | 1 articles | Viewed by 873 | 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)

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 831 | Submission Open

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

(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 822 | Submission Open

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

(This special issue belongs to the Section Physical Chemistry)

Vibrational Spectroscopy and Imaging for Chemical Application

edited by

Barry K. Lavine

and

Karl Booksh

submission deadline 31 Dec 2025 | 1 articles | Viewed by 740 | 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)

Enzyme Inhibitors: Design, Synthesis and Biological Evaluation—3rd Edition

edited by

Letizia Crocetti

and

Maris Cinelli

submission deadline 31 Dec 2025 | 1 articles | Viewed by 697 | Submission Open

Keywords: enzyme inhibitors; drug design; organic synthesis; biological evaluation; molecular modeling studies; kinetic experiment

(This special issue belongs to the Section Chemical Biology)

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 642 | 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)

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

edited by

Erika Andrea Levei

submission deadline 31 Dec 2025 | Viewed by 637 | 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)

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

edited by

Anna Puścion-Jakubik

submission deadline 31 Dec 2025 | 1 articles | Viewed by 594 | 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)

Analysis of Pesticide Residues in Food and Environmental Samples

edited by

Xu Jing

and Xueke Liu

submission deadline 31 Dec 2025 | 1 articles | Viewed by 583 | Submission Open

Keywords: analytical methods; green analytical chemistry; sample pretreatment; microextraction methods; detection techniques; quantitative determination; degradation pathways; metabolite analysis; toxicity evaluation

(This special issue belongs to the Section Analytical Chemistry)

New Insights into Electrochemical Energy Storage and Conversion: Aqueous Rechargeable Batteries

edited by

Hongpeng Li

and Ruizheng Zhao

submission deadline 31 Dec 2025 | 1 articles | Viewed by 581 | Submission Open

Keywords: aqueous batteries; electrochemical reactions; electrode materials; electrolyte; regulation

(This special issue belongs to the Section Electrochemistry)

Inorganic Chemistry in Europe 2025

edited by

Wolfgang Weigand

and

Sotiris K Hadjikakou

submission deadline 31 Dec 2025 | 1 articles | Viewed by 570 | 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)

Research on Functional Active Ingredients of Edible Fungi

edited by Tianqiao Yong,

Jia Song

and

Zhaojun Wei

submission deadline 31 Dec 2025 | 1 articles | Viewed by 555 | Submission Open

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

(This special issue belongs to the Section Food Chemistry)

Silymarin and Derivatives: From Biosynthesis to Health Benefits 2.0

edited by

Dominique Delmas

submission deadline 31 Dec 2025 | Viewed by 494 | Submission Open

Keywords: silymarin: sources and biosynthesis; secondary metabolites and silymarin derivatives; silymarin bioavailability; silymarin and cardiovascular diseases; silymarin and metabolic syndrome; silymarin and cancer; silymarin and inflammation and immune diseases; silymarin and degenerative age-related diseases

(This special issue belongs to the Section Natural Products 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 | 1 articles | Viewed by 459 | 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)

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

edited by

Ewa Skała

and

Agnieszka Kicel

submission deadline 31 Dec 2025 | 1 articles | Viewed by 408 | 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)

Peptide Chemistry: Recent Trends and Advancements

edited by Fa-Jie Chen and

Alicja Kluczyk

submission deadline 31 Dec 2025 | Viewed by 386 | Submission Open

Keywords: peptide synthesis; cyclic peptide; peptide ligation; peptide stapling; peptide library; peptide therapy; structure and activity

(This special issue belongs to the Section Medicinal Chemistry)

Microwave-Assisted Rapid Preparation and Processing of Nanostructured Materials and Their Applications

edited by

Ying-Jie Zhu

and Hanping Yu

submission deadline 31 Dec 2025 | Viewed by 386 | Submission Open

Keywords: microwave; synthesis; preparation; processing; nanostructured materials; nanomaterials; nanostructures; application

(This special issue belongs to the Section Microwave Chemistry)

Multifunctional Electrocatalysts for Overall Water Splitting

edited by Haeseong Jang

submission deadline 31 Dec 2025 | Viewed by 379 | Submission Open

Keywords: electrocatalysts; water splitting; oxygen evolution reaction; hydrogen evolution reaction; nanostructure

(This special issue belongs to the Section Electrochemistry)

Computational Chemistry Approach for Materials Design

edited by

Tianwei He

and Lei Zhang

submission deadline 31 Dec 2025 | Viewed by 322 | Submission Open

Keywords: computational materials; catalysts; DFT calculation; machine learning; energy conversion and storage materials

(This special issue belongs to the Section Computational and Theoretical 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 | 1 articles | Viewed by 315 | Submission Open

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

(This special issue belongs to the Section Nanochemistry)

Functional Foods: Chemical Challenges and Opportunities

edited by Yan Zhang and Haixia Wu

submission deadline 31 Dec 2025 | Viewed by 257 | Submission Open

Keywords: functional foods; chemical stability; advanced extraction methods; chemical modification; chemical bioavailability; food safety

(This special issue belongs to the Section Food Chemistry)

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

edited by Ernesto Santoro and

Antonio Evidente

submission deadline 31 Dec 2025 | Viewed by 216 | Submission Open

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

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

Applications of Solid-Phase Microextraction and Related Techniques, the Second Edition

edited by

Hiroyuki Kataoka

submission deadline 31 Dec 2025 | Viewed by 208 | Submission Open

Keywords: solid-phase microextraction; micriextraction techniques; extraction sorbents; pharmaceutical analysis; forensic analysis; bioanalysis; environmental analysis; food analysis

(This special issue belongs to the Section Analytical Chemistry)

Advances in Natural Fiber Composites

edited by

Pietro Russo

submission deadline 31 Dec 2025 | Viewed by 189 | Submission Open

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

(This special issue belongs to the Section Macromolecular Chemistry)

Advances in Nanomaterials for Biomedical Applications, 2nd Edition

edited by Xueen Jia and Ce Zhang

submission deadline 31 Dec 2025 | Viewed by 185 | Submission Open

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

(This special issue belongs to the Section Nanochemistry)

Exploring Schiff Base Ligands and Their Metal Complexes

edited by

Mihaela Badea

submission deadline 31 Dec 2025 | Viewed by 169 | Submission Open

Keywords: schiff base ligands; complexes; X-ray structure; antimicrobial; antitumor; antiviral activity; catalysts

(This special issue belongs to the Section Inorganic Chemistry)

Pharmaceuticals in the Environment: Micropollutants and Degradation Dynamics

edited by Agnieszka Nowak and

Urszula Guzik

submission deadline 31 Dec 2025 | Viewed by 156 | 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)

Degradation of Aromatic Compounds in the Environment

edited by

Urszula Guzik

and

Wojciech Smułek

submission deadline 31 Dec 2025 | Viewed by 155 | Submission Open

Keywords: aromatic compounds; microorganisms; biodegradation; biotransformation; advanced oxidation processes

(This special issue belongs to the Section Organic Chemistry)

Advances in Electrochemical Sensors

edited by

Yixi Xie

submission deadline 31 Dec 2025 | Viewed by 152 | Submission Open

Keywords: electrochemical sensor; modified electrodes; photoelectrochemical sensor; wearable sensor; environmental monitoring; food safety analysis

(This special issue belongs to the Section Electrochemistry)

Molecular Approaches to Drug Design: From Target Identification to Delivery

edited by

Michio Kurosu

submission deadline 31 Dec 2025 | Viewed by 150 | Submission Open

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

(This special issue belongs to the Section Medicinal Chemistry)

Advances in Ammonia Synthesis

edited by Wenbo Gao

submission deadline 31 Dec 2025 | Viewed by 147 | Submission Open

Keywords: ammonia synthesis; heterogeneous catalysis; nitrogen activation; ammonia energy; reaction mechanism; photo/electrochemical ammonia synthesis

(This special issue belongs to the Section Applied Chemistry)

Analytical Techniques in Environmental Chemistry, 2nd Edition

edited by

Marcin Frankowski

submission deadline 31 Dec 2025 | Viewed by 147 | Submission Open

Keywords: environmental analytical chemistry; contaminants; environmental impact assessment; analytical techniques; environmental pollution

(This special issue belongs to the Section Analytical Chemistry)

The Synthesis and Application of Rare-Earth-Doped Luminescent Materials

edited by

Liang Zhou

and Rui Wang

submission deadline 31 Dec 2025 | Viewed by 144 | Submission Open

Keywords: luminescent materials; molecular design; luminescent mechanisms and processes; display; lighting; detection

(This special issue belongs to the Section Materials Chemistry)

Innovative Nanostructures for Energy and Environmental Applications

edited by

Janardhan Reddy Koduru

submission deadline 31 Dec 2025 | Viewed by 136 | 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)

30th Anniversary of Molecules—Recent Advances in Food Chemistry

edited by