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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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Advances of Ionic Liquids in Organic, Polymer and Material Chemistry: Key Trends in Green Chemistry: 2nd Edition

edited by

Pradip K. Bhowmik

submission deadline 31 Jan 2026 | Viewed by 283 | Submission Open

Keywords: ionic liquids; green solvents; catalysts; polymer synthesis; advanced materials; electrochemical devices; separation process; nano-materials; biomolecules

(This special issue belongs to the Section Green Chemistry)

Natural Products in Antibacterial Research of Plant and Food Extracts

edited by

Wirginia Kukula-Koch

and

Anna Malm

submission deadline 31 Jan 2026 | Viewed by 279 | Submission Open

Keywords: natural compounds; new antibacterials; extraction methods; chemistry; mechanism of action; food preservatives; anti-infectious agents; food-borne bacterial pathogens

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

Innovative Green and Photochemical Approaches for Sustainable Organic Synthesis

edited by

Petros Gkizis

submission deadline 31 Jan 2026 | Viewed by 270 | Submission Open

Keywords: green chemistry; photochemistry; dual catalysis; photooxidation protocols; sustainable chemistry; material science; sustainable synthesis; green solvents; flow photochemistry; organic synthesis

(This special issue belongs to the Section Organic Chemistry)

Advances in Porphyrinoid-Based Functional Materials

edited by

Maria G. P. M. S. Neves

M. Amparo F. Faustino

Carla Isabel Madeira dos Santos

and

Nuno M. M. Moura

submission deadline 31 Jan 2026 | Viewed by 255 | Submission Open

Keywords: porphyrinoids; synthetic approaches; functional materials; medicine; environment; energy; sensing; catalysis

(This special issue belongs to the Section Organic Chemistry)

Advances in Synthesis and Biological Activity of Novel Derivatives Based on Five-Membered Heterocyclic Scaffolds and Their Intermediates, 3rd Edition

edited by

Theodora Venera Apostol

George Mihai Nitulescu

and

Laura Ileana Socea

submission deadline 31 Jan 2026 | Viewed by 250 | Submission Open

Keywords: bioactive heterocycles; heterocyclic scaffolds; bioisosteric heterocyclic skeletons; azoles; pyrazole; oxazole; triazole; oxadiazole; drug design; in silico studies

(This special issue belongs to the Section Organic Chemistry)

Cutting-Edge Developments in Antimicrobial Drug Discovery and Design

edited by

Wanda Mączka

Anna Duda-Madej

and

Katarzyna Wińska

submission deadline 31 Jan 2026 | Viewed by 240 | Submission Open

Keywords: antimicrobial activity; multidrug resistance; antibiotic resistance; pathogenic strains; phytochemicals; organic synthesis; computational drugs design; molecular modeling

(This special issue belongs to the Section Medicinal Chemistry)

Interactions of Plant-Derived Foods and Medicines with the Gut Microbiome

edited by

Ladislav Kokoska

and

Tomas Kudera

submission deadline 31 Jan 2026 | Viewed by 238 | Submission Open

Keywords: anti-inflammatory effect; antimicrobial activity; fermented foods; gut metabolism; gut microbiota; herbal product; immunomodulatory effect; microbiome therapy; phytochemical; plant-based diet; postbiotics; prebiotic effect; probiotic microorganisms

Analytical Studies of Bioactive Natural Products in Food

edited by

Constantinos Tsiafoulis

submission deadline 31 Jan 2026 | Viewed by 229 | Submission Open

Keywords: natural products; bioactive compound; food chemistry; spectroscopic analysis; analytical chemistry

(This special issue belongs to the Section Food Chemistry)

Novel Research and Applications of Aptasensors Based on Evolutional Selection of Aptamers

edited by

Yiyang Dong

Sai Wang

and Liling Hao

submission deadline 31 Jan 2026 | Viewed by 219 | Submission Open

Keywords: aptasensor; food contaminant analysis; environment pollutant analysis; medical analysis; point-of-care testing; nanomaterial functionalization; artificial intelligence-aided analysis; process monitoring

(This special issue belongs to the Section Analytical Chemistry)

Synthesis, Properties and Application of Five- and Six-Membered Heterocycles

edited by Lara Bianchi and

Massimo Maccagno

submission deadline 31 Jan 2026 | Viewed by 209 | Submission Open

Keywords: heterocycle synthesis; transition-metal catalysis; multicomponent reactions; structural characterization; computational chemistry; pharmacological activity; functional materials; benzofused heterocycles

(This special issue belongs to the Section Organic Chemistry)

Advanced Nanomaterials for Energy Storage Devices, 2nd Edition

edited by

Sudeshna Chandra

submission deadline 31 Jan 2026 | Viewed by 208 | Submission Open

Keywords: electrochemical energy storage; carbon nanomaterials; layered transition metal dichalcogenides; porous 1D nanomaterials; 2D transition metal carbides/nitride (MXene) nanomaterials; energy conversion and storage; fuel cells; batteries; flow batteries; supercapacitors; hydrogen production; storage and distribution; utilization of carbon dioxide

(This special issue belongs to the Section Inorganic Chemistry)

Biological Activity of Essential Oils, 2nd Edition

edited by

Ryszard Amarowicz

submission deadline 31 Jan 2026 | Viewed by 208 | Submission Open

Keywords: essential oil extraction and chemical analysis; biological potential of essential oils; aromatherapy; chemotypes (with/without biological potential variation); biofertilizers; postharvest preservatives

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

Biologically Active Molecules from Microbes and Plants

edited by

Ritesh Raju

submission deadline 31 Jan 2026 | Viewed by 202 | Submission Open

Keywords: isolation; structural characterization; biological profiling; biological activity; anti-inflammatory; anti-bacterial; anti-cancer; secondary metabolite; microbe; plant; natural product; drug discovery; bio-discovery

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

Aroma and Volatile Compounds from Foods

edited by

Tao Feng

submission deadline 31 Jan 2026 | Viewed by 198 | Submission Open

Keywords: aroma compounds; volatile organic compounds (VOCs); food flavor; gas chromatography– mass spectrometry (GC-MS); odor activity value (OAV); food quality; food processing; sensory analysis

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

Design and Synthesis of Antimicrobial and Antiviral Agents: From Molecular Targets to Therapeutic Strategies

edited by

Sameh Abdelwahed

submission deadline 31 Jan 2026 | Viewed by 186 | Submission Open

Keywords: antimicrobial drug discovery; antiviral agents; structure-based design; resistance mechanisms; medicinal chemistry; target identification; lead optimization; synthetic methodology; mechanism of action; therapeutic strategies

(This special issue belongs to the Section Medicinal Chemistry)

Recent Advances of Hydrogel Materials for Biomedical Applications

edited by

Tze Wen Chung

and

Maria del Carmen Morán

submission deadline 31 Jan 2026 | Viewed by 167 | Submission Open

Keywords: hydrogels; biomedical applications; hydrogel synthesis; tissue engineering; drug delivery systems

(This special issue belongs to the Section Medicinal Chemistry)

Computational Approaches in Drug Discovery and Design, 2nd Edition

edited by

Shijun Zhong

submission deadline 31 Jan 2026 | Viewed by 164 | Submission Open

Keywords: combined and integrated approaches in CADD; QM/MM and quantum chemical computations for protein–ligand binding; scoring function; binding free energy; target identification; molecular docking; molecular dynamics simulation; machine learning or deep learning; data fitting; database; pattern recognition; druglikeness; drug design or drug discovery

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

Exclusive Feature Papers in Electrochemistry—2nd Edition

edited by

Jacek Ryl

and

Tomasz Swebocki

submission deadline 31 Jan 2026 | Viewed by 155 | Submission Open

Keywords: electrochemical science; energy conversion; electrocatalysis; electrooxidation and electroreduction; (bio)sensors; corrosion science; environmental applications; new materials; green electrochemistry

(This special issue belongs to the Section Electrochemistry)

Modern Trends of Biocatalysis in Organic Chemistry and Enzyme Engineering—3rd Edition

edited by

Gang Xu

and

Yi Hu

submission deadline 31 Jan 2026 | 1 articles | Viewed by 147 | Submission Open

Keywords: enzyme engineering; biocatalytic promiscuity; enzyme immobilization; directed evolution; biocatalysis; enzymatic reactions

(This special issue belongs to the Section Bioorganic Chemistry)

Transition Metal Complexes for Small Molecule Bond Activation

edited by

Rebeca Arevalo Seco

and

Michael Findlater

submission deadline 31 Jan 2026 | Viewed by 140 | Submission Open

Keywords: transition metal complex; bond activation; small molecule; functionalization; oxidative addition; metal– ligand and metal– metal cooperation; second coordination sphere interactions

(This special issue belongs to the Section Organic Chemistry)

Recent Advances in the Synthesis and Structural Elucidation of Bioactive Lipid Mediators

edited by Robert Nshimiyimana and

Hong Yong Peh

submission deadline 31 Jan 2026 | Viewed by 137 | Submission Open

Keywords: total synthesis; stereochemistry; resolution of inflammation; lipid mediators; structural elucidation; biosynthesis; eicosanoids; docosanoids

(This special issue belongs to the Section Organic Chemistry)

Recent Advances in Supramolecular and Surface Photochemistry

edited by

Shipra Gupta

and

Mahesh Pattabiraman

submission deadline 31 Jan 2026 | Viewed by 132 | Submission Open

Keywords: supramolecular photochemistry; organic photochemistry; photochemical synthesis; medicinal uses of photochemistry; biomolecular photochemistry; photochemical reaction mechanisms; photochemistry in confined spaces

(This special issue belongs to the Section Photochemistry)

Novel Electrode Materials for Rechargeable Batteries, 3rd Edition

edited by

Jian Peng

and

Xiaojie Yang

submission deadline 31 Jan 2026 | Viewed by 129 | Submission Open

Keywords: energy; batteries; electrode materials; synthesis; characterization; practical application

(This special issue belongs to the Section Electrochemistry)

Battery Chemistry: Recent Advances and Future Opportunities, the Third Edition

edited by

Liwen Tan

and

Jianjun Zhang

submission deadline 31 Jan 2026 | Viewed by 121 | Submission Open

Keywords: electrochemistry; surface/interface chemistry; electrocatalytic reaction; oxygen reduction reaction; oxygen evolution reaction; quantum chemistry; materials chemistry; rechargeable batteries

(This special issue belongs to the Section Electrochemistry)

Advanced Oxidation and Nanotechnology Treatment Methods of Pollutants

edited by

Changbo Zhang

, Weijie Xue and

Wenyu Huang

submission deadline 31 Jan 2026 | Viewed by 117 | Submission Open

Keywords: advanced oxidation technology; heavy metal pollution; emerging contaminants; pollutant remediation; nanotechnology; micro-nano plastics; toxicity; water treatment; perfluorinated compounds

(This special issue belongs to the Section Green Chemistry)

Advanced Electrode Materials for Aqueous Batteries

edited by

Feng Yu

submission deadline 31 Jan 2026 | Viewed by 116 | Submission Open

Keywords: aqueous batteries; electrode materials; energy storage; electrochemical stability; ion intercalation; nanostructured materials

(This special issue belongs to the Section Materials Chemistry)

Advances in Proton Exchange Membrane Technology for Fuel Cells

edited by

Tung-Li Hsieh

and

Wen-Yao Huang

submission deadline 31 Jan 2026 | Viewed by 94 | Submission Open

Keywords: proton exchange membrane (PEM); fuel cells; advanced membrane materials; proton conductivity; hydrogen energy technology; membrane– electrode interface; nanostructured composite membranes

(This special issue belongs to the Section Electrochemistry)

Metal–Oxygen Interfaces in Catalysis and Surface Chemistry: Interactions, Reactivity, and Modeling

edited by

Nicholas Jaegers

and Houqian Li

submission deadline 31 Jan 2026 | Viewed by 90 | Submission Open

Keywords: metal– oxide interfaces; surface chemistry; heterogeneous catalysis; reaction mechanisms; computational modeling; oxide-supported catalysts; structure– reactivity relationships

(This special issue belongs to the Section Cross-Field Chemistry)

Natural Bioactives for Health: Therapeutic Promise and Safety Considerations

edited by

Thiago Henrique Napoleão

submission deadline 31 Jan 2026 | Viewed by 82 | Submission Open

Keywords: natural bioactive compounds; drug discovery and development; pharmacological activities; toxicological evaluation; analytical and screening methods; human health

Recent Advances in Functionalized Nanofiber Materials

edited by

Lifeng Zhang

submission deadline 31 Jan 2026 | Viewed by 77 | Submission Open

Keywords: nanofiber; electrospinning; sustainability; functionalization; surface and Interface; practical application

(This special issue belongs to the Section Materials Chemistry)

Chemical Composition and Biological Evaluation of Essential Oils

edited by

Renata Nurzyńska-Wierdak

submission deadline 15 Feb 2026 | 2 articles | Viewed by 1899 | Submission Open

Keywords: essential oils; biological evaluation; chemical composition; therapies; natural products

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

Excited State Dynamics, Photokinetics and Photochemistry

edited by

Mounir Maafi

submission deadline 15 Feb 2026 | 1 articles | Viewed by 659 | Submission Open

Keywords: photodegradation; excited-state properties; photocatalysis; photochromes; therapeutic photo-drugs; photokinetics; actinometry

Design, Fabrication, and Applications of Nano-Membrane Materials

edited by

Shuping Wu

and

Minjia Meng

submission deadline 16 Feb 2026 | Viewed by 151 | Submission Open

Keywords: nanomembranes; membrane fabrication; separation; waste purification; nanomaterials; advanced materials

(This special issue belongs to the Section Applied Chemistry)

Quantum-Chemical Studies for Superspecies—in Celebration of Professor Jean-François Gal’s 80th Birthday

edited by

Ewa Raczyńska

submission deadline 20 Feb 2026 | 1 articles | Viewed by 1073 | Submission Open

Keywords: structure of superspecies; neutral; ionic; and/or radical forms; isomerism; electron delocalization; energetic parameters of electron transfer; thermochemistry of proton transfer; quantum-chemical studies

Exploring Microorganisms and Their Bioactive Secondary Metabolites: From Nature to Application

edited by

Monika Elżbieta Jach

Ewa Sajnaga

and

Adrian Wiater

submission deadline 27 Feb 2026 | 1 articles | Viewed by 2917 | Submission Open

Keywords: natural products; bioactive compounds; microbial secondary metabolites; biological activity; chemical composition; biosynthetic pathways; strategies for discovery; mechanisms of action; biotechnological potential; therapeutic applications

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

Chromatographic Characterization of Food Using Analytical Methods

edited by

Hongyan Bi

submission deadline 27 Feb 2026 | Viewed by 118 | Submission Open

Keywords: food analysis; chromatography; gas chromatography; high-performance liquid chromatography (HPLC); sample preparation (SPE; SPME; derivatization); mass spectrometry; chemometrics; food authenticity and adulteration; green analytical chemistry; artificial intelligence

(This special issue belongs to the Section Food Chemistry)

Natural Products: Isolation, Analysis and Biological Activity, 2nd Edition

edited by Hazem Salaheldin Elshafie and

Lucia Caputo

submission deadline 28 Feb 2026 | 4 articles | Viewed by 38258 | Submission Open

Keywords: essential oils; plant extracts; biological activities; antiproliferative activity; enzymatic inhibitor activity; phytotoxic activity; bioactive compounds in natural products; secondary metabolites; structure– activity relationships; antimicrobial activity; phytopathogens

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

Electroanalysis of Biochemistry and Material Chemistry—2nd Edition

edited by Guangjin Wang

submission deadline 28 Feb 2026 | 10 articles | Viewed by 16734 | Submission Open

Keywords: voltammetry; potentiometry; conductometry; electrolytic method; electrochemical bio-sensors; fuel cells; batteries; supercapacitors

(This special issue belongs to the Section Electrochemistry)

Antioxidant, and Anti-Inflammatory Activities of Natural Plants

edited by Zofia Niziol-Lukaszewska and Aleksandra Ziemlewska

submission deadline 28 Feb 2026 | 5 articles | Viewed by 14581 | Submission Open

Keywords: antioxidant activities; anti-inflammatory activities; extraction methods; isolation of active compounds; biological activity; cosmetic application; plant extracts; natural compounds

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

Potential of Natural Products as Drug Leads Possessing Antioxidant, Antiaging and Anticancer Properties

edited by

Justyna Stefanowicz-Hajduk

and

Renata J. Ochocka

submission deadline 28 Feb 2026 | 5 articles | Viewed by 13614 | Submission Open

Keywords: natural compounds; plant extracts; plant secondary metabolites; oxidative stress; tumor; skin; aging; phytochemistry

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

Molecular Modeling: Advancements and Applications, 3rd Edition

edited by

Teobald Kupka

submission deadline 28 Feb 2026 | 8 articles | Viewed by 12576 | Submission Open

Keywords: quantum mechanics; molecular mechanics (MM); molecular dynamics (MD); semi-empirical calculations; Ab initio methods; post-Hartree– Fock methods; density functional theory (DFT); software development; achieving chemical accuracy; thermochemistry and reactivity; interaction energy; covalent bonding and non-covalent interactions; large molecular systems; IR; Raman; and NMR; drug design; nanomaterials and nanotechnology; material sciences

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

Pharmacological Effects of Natural Products: Antioxidant, Anti-Inflammatory and Anticancer Activities

edited by

Juan Carlos Sepúlveda-Arias

and Ramón Enrique Robles Zepeda

submission deadline 28 Feb 2026 | 5 articles | Viewed by 10571 | Submission Open

Keywords: natural products; plant extracts; phytochemical inflammatory diseases; oxidative stress; cancer; biological activity; drug discovery

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

Natural Compounds for Disease and Health, 3rd Edition

edited by

George P.H. Leung

and

Jingjing Li

submission deadline 28 Feb 2026 | 8 articles | Viewed by 10398 | Submission Open

Keywords: natural products; phytochemistry; structure– activity relationship; mechanisms of action; anti-aging; cancer; cardiovascular diseases; digestive diseases; endocrine disorders; immune diseases; infections; inflammation; liver diseases; metabolic diseases; musculoskeletal diseases; neurodegenerative diseases; pain; psychiatric diseases; renal diseases; respiratory diseases

(This special issue belongs to the Section Medicinal Chemistry)

Natural Products in Anticancer Activity: 2nd Edition

edited by

Marcus Tullius Scotti

and

Luciana Scotti

submission deadline 28 Feb 2026 | 5 articles | Viewed by 10301 | Submission Open

Keywords: natural products; anticancer; drug; nature; molecule

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

Exclusive Feature Papers in Analytical Chemistry

edited by

João Pinto da Costa

and

Teresa A. P. Rocha-Santos

submission deadline 28 Feb 2026 | 8 articles | Viewed by 9853 | Submission Open

Keywords: analytical chemistry; instrumentation; environment and food; pharmaceutical industry; green chemistry

(This special issue belongs to the Section Analytical Chemistry)

Chemiluminescence and Photoluminescence of Advanced Compounds

edited by

Beata Zadykowicz

and

Karol Krzyminski

submission deadline 28 Feb 2026 | 6 articles | Viewed by 8554 | Submission Open

Keywords: chemiluminescence; photoluminescence; luminescent molecules; luminescent probes; luminescent indicators; bioimaging; immunoassay; sensing; luminescence mechanism

(This special issue belongs to the Section Photochemistry)

New Horizons in Deep Eutectic Solvents (DESs): Synthesis, Characterization and Applications

edited by

Dorota Warmińska

Iwona Cichowska-Kopczyńska

and

Maciej Smiechowski

submission deadline 28 Feb 2026 | 6 articles | Viewed by 6964 | Submission Open

Keywords: deep eutectic solvent; methods of synthesis; physicochemical and thermal properties; extraction and separation; catalysis; pharmaceuticals; energy storage

(This special issue belongs to the Section Molecular Liquids)

Research Progress of Fluorescent Probes

edited by

Yonglei Chen

submission deadline 28 Feb 2026 | 3 articles | Viewed by 6891 | Submission Open

Keywords: one-photon fluorescent probes; two-photon fluorescent probes; multi-photon fluorescent probes; upconverting fluorescent probes; AIE fluorescent probes

(This special issue belongs to the Section Photochemistry)

Chemical Design and Synthesis of Antimicrobial Drugs

edited by Ma Su and

Diana I.S.P. Resende

submission deadline 28 Feb 2026 | 5 articles | Viewed by 6850 | Submission Open

Keywords: antimicrobial drugs; rational design; drug resistance; ESKAPE pathogens; structure– activity relationship; advanced skeleton

(This special issue belongs to the Section Medicinal Chemistry)

Biochemically Active Natural and Semisynthetic Products: Extraction, Characterization, and Application

edited by

Emmanoel Vilaça Costa

submission deadline 28 Feb 2026 | 6 articles | Viewed by 6833 | Submission Open

Keywords: natural and semisynthetic products; extraction; isolation; and purification; identification and structural elucidation; biological properties; multidisciplinary applications

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

Displaying special issue 251-300 on page 6 of 24.

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