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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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Chemical Composition and Biological Evaluation of Essential Oils

edited by

Renata Nurzyńska-Wierdak

submission deadline 15 Feb 2026 | 2 articles | Viewed by 2491 | 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 896 | 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 249 | 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 1184 | 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 | 6 articles | Viewed by 4570 | 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)

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 42430 | 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)

Antioxidant, and Anti-Inflammatory Activities of Natural Plants

edited by Zofia Niziol-Lukaszewska and Aleksandra Ziemlewska

submission deadline 28 Feb 2026 | 6 articles | Viewed by 18641 | 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)

Electroanalysis of Biochemistry and Material Chemistry—2nd Edition

edited by Guangjin Wang

submission deadline 28 Feb 2026 | 10 articles | Viewed by 18373 | Submission Open

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

(This special issue belongs to the Section Electrochemistry)

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 | 7 articles | Viewed by 15018 | 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)

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 14363 | 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)

Molecular Modeling: Advancements and Applications, 3rd Edition

edited by

Teobald Kupka

submission deadline 28 Feb 2026 | 8 articles | Viewed by 13945 | 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 11709 | 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)

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 11505 | Submission Open

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

(This special issue belongs to the Section Analytical 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 11087 | Submission Open

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

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

Chemiluminescence and Photoluminescence of Advanced Compounds

edited by

Beata Zadykowicz

and

Karol Krzyminski

submission deadline 28 Feb 2026 | 7 articles | Viewed by 9986 | 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 8252 | 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)

Bioactive Compounds in Foods and Their By-Products

edited by

Irene Dini

submission deadline 28 Feb 2026 | 8 articles | Viewed by 7934 | Submission Open

Keywords: circular economy; food analytical method; food analytical method validation; bioactives bioavailability; suitable agronomic technique; food toxicology

(This special issue belongs to the Section Food 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 7850 | 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)

Bioactive Compounds and Antioxidant Activity of Extracts from Natural Plants, 2nd Edition

edited by

Aleksandra Sentkowska

submission deadline 28 Feb 2026 | 8 articles | Viewed by 7577 | Submission Open

Keywords: bioactive compounds; natural plant products; antioxidant activity; extraction methods; polyphenols; flavonoids

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

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 7553 | 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)

Research Progress of Fluorescent Probes

edited by

Yonglei Chen

submission deadline 28 Feb 2026 | 3 articles | Viewed by 7253 | 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)

Metallic Nanoclusters and Their Interaction with Light

edited by

Ludmila Otilia Cinteza

and

Vlad Neacșu

submission deadline 28 Feb 2026 | 3 articles | Viewed by 6420 | Submission Open

Keywords: nanoclusters; photophysics; photocatalysis; imaging; phototherapy

(This special issue belongs to the Section Applied Chemistry)

Advanced Materials for Environmental Remediation: Design and Applications

edited by Meijuan Chen and Yuru Wang

submission deadline 28 Feb 2026 | 3 articles | Viewed by 6269 | Submission Open

Keywords: advanced materials; environmental remediation; nanomaterials; biomaterials; porous materials; composites; water purification; air purification; soil remediation

(This special issue belongs to the Section Materials Chemistry)

Functional Porous Frameworks: Synthesis, Properties, and Applications

edited by

Raed Abu-Reziq

submission deadline 28 Feb 2026 | 4 articles | Viewed by 5972 | Submission Open

Keywords: metal– organic frameworks; covalent organic frameworks; mesoporous silica; periodic mesoporous organosilicas; catalysis; biomedical applications; energy storage; environmental remediation

(This special issue belongs to the Section Materials Chemistry)

Sustainable Chemical Approaches for Wastewater Treatment and Resource Utilization

edited by Jingtao Bi and

Panpan Zhang

submission deadline 28 Feb 2026 | 5 articles | Viewed by 5650 | Submission Open

Keywords: wastewater treatment; functional materials; green chemical processes; redox; adsorption; catalysis; membrane separation

(This special issue belongs to the Section Applied Chemistry)

Design, Synthesis and Biological Evaluation of Novel Small Molecules Inhibitors, 2nd Edition

edited by

Letizia Giampietro

submission deadline 28 Feb 2026 | 3 articles | Viewed by 5644 | Submission Open

Keywords: small molecules; inhibitors; natural products; drug design; synthetic strategies; structure– activity relationship; docking studies; drug delivery; in vivo; in vitro; and ex vivo evaluation; biological activity; molecular mechanisms

(This special issue belongs to the Section Medicinal Chemistry)

Nutritional Components of Non-Animal Origin Foods: Structure, Synthesis, Functions and Mechanisms

edited by

Jie Zhang

, Zhengyi Wei and Tiehua Zhang

submission deadline 28 Feb 2026 | 4 articles | Viewed by 5542 | Submission Open

Keywords: non-animal origin foods; nutritional components; bioactive compounds; human diseases; health benefits; epidemiological and clinical studies; action mechanism

(This special issue belongs to the Section Food Chemistry)

Chemical Biology of Antimicrobial Resistance, 2nd Edition

edited by

Qilin Yu

submission deadline 28 Feb 2026 | 2 articles | Viewed by 5278 | Submission Open

Keywords: antimicrobial resistance; resistance mechanism; antibiotics; diagnostics; new mode of action; antibiotic target; structure– activity relationship; molecular probe

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

Polymeric Liquid Crystals and Applications, 2nd Edition

edited by

Pedro Marques de Almeida

Anupam Sengupta

and

Mateusz Mrukiewicz

submission deadline 28 Feb 2026 | 3 articles | Viewed by 4979 | Submission Open

Keywords: phases; structures and ordering; self-assembly; colloids; instabilities; pattern formation and chaos; fibers; biological and bio-inspired liquid crystals; polymer-liquid crystal blends; conductive liquid crystals; switchable polymers; nanostructured systems; supramolecules; polymers; elastomers and gels; photosensitive liquid crystals; confined liquid crystals; molecular design; synthesis and new materials; sensors; actuators; O-LED and polymer LCD devices; conducting polymer liquid crystals; biopolymer liquid crystals; drug delivery; mathematical modelling; novel applications of liquid crystalline systems

(This special issue belongs to the Section Applied Chemistry)

Metal-Based Drugs: Past, Present and Future, 3rd Edition

edited by

Roxana Liana Lucaciu

and

Adriana Corina Hangan

submission deadline 28 Feb 2026 | 5 articles | Viewed by 4885 | Submission Open

Keywords: metal-based drugs; synthesis; characterization; docking; biological activity; diagnosis; therapeutic tool

(This special issue belongs to the Section Chemical Biology)

Antioxidant, Anti-Inflammatory Activities and Skin Protective Potential of Extractions from Natural Plants

edited by Gerardo Magela Vieira-Júnior and

Paulo Michel Pinheiro Ferreira

submission deadline 28 Feb 2026 | 4 articles | Viewed by 4274 | Submission Open

Keywords: antioxidants; anti-inflammatory; skin protection; phenolic compounds; extracts derived from plants; natural products

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

Lignocellulosic Materials, 2nd Edition

edited by

Bruno Medronho

and

Hugo Duarte

submission deadline 28 Feb 2026 | 2 articles | Viewed by 3995 | Submission Open

Keywords: biomass valorization; biopolymers; lignocellulose; green chemistry; bio-based materials; environmental remediation

(This special issue belongs to the Section Materials Chemistry)

Molecular Insights into Bioluminescence and Chemiluminescence

edited by

Stefan Schramm

submission deadline 28 Feb 2026 | 3 articles | Viewed by 3892 | Submission Open

Keywords: bioluminescence; chemiluminescence; chemical mechanism; luminescence; photophysics; photochemical processes; bioluminescent enzymes; luminescent sensing and imaging

(This special issue belongs to the Section Photochemistry)

Synthesis and Crystal Structure Studies of Metal Complexes

edited by Anna Świtlicka

submission deadline 28 Feb 2026 | 3 articles | Viewed by 3811 | Submission Open

Keywords: synthesis; crystal structure; physical properties; X-ray diffraction; coordination complexes; d- and f-block metal atoms; functional materials; applications

(This special issue belongs to the Section Inorganic Chemistry)

Advances in Metal/Oxide Interfacial Catalysts: Design, Properties, and Applications

edited by Mausumi Mahapatra

submission deadline 28 Feb 2026 | 3 articles | Viewed by 3703 | Submission Open

Keywords: oxides; metal– oxide interface; catalysts; active sites; heterogeneous catalysis

(This special issue belongs to the Section Physical Chemistry)

Applied Innovative Insights in Selective Organic Hetero-Synthesis

edited by

Mircea Darabantu

and

Ionel Mangalagiu

submission deadline 28 Feb 2026 | 2 articles | Viewed by 3345 | Submission Open

Keywords: hetarenes; hetero-alycycles; regioisomerism; diastereomerism; enantiomerism; biomimetics and new chemical entities (NCEs); “ intelligent” molecules

(This special issue belongs to the Section Organic Chemistry)

Nutritional Properties, Sensory Profile and Bioactive Components of Food, 3rd Edition

edited by

Aldona Sobota

and

Grażyna Cacak-Pietrzak

submission deadline 28 Feb 2026 | 3 articles | Viewed by 2829 | Submission Open

Keywords: food analysis; bioactive compounds; sensory characteristics; food composition; functional food ingredients

(This special issue belongs to the Section Food Chemistry)

Advanced Nanomaterials for Fluorescence Imaging and Phototherapy

edited by Zhourui Xu and

Jiandong Huang

submission deadline 28 Feb 2026 | 3 articles | Viewed by 2637 | Submission Open

Keywords: phototheranostics; fluorescence imaging; photothermal therapy; photodynamic therapy; NIR-II region; nanoformulation

(This special issue belongs to the Section Photochemistry)

Advances in Metallocene Chemistry

edited by

Karlheinz Sünkel

submission deadline 28 Feb 2026 | 2 articles | Viewed by 2629 | Submission Open

Keywords: metallocene; macromolecular chemistry; bio-organometallic chemistry; catalysis

(This special issue belongs to the Section Organometallic Chemistry)

Analytical Technologies and Intelligent Applications in Future Food

edited by

Chang-Wei Hsieh

, Chunhuan Liu, Shipeng Yin and Xiuhang Chai

submission deadline 28 Feb 2026 | 2 articles | Viewed by 2617 | Submission Open

Keywords: artificial intelligence (AI) in food chemistry; machine learning for food analysis; intelligent sensing systems for food; food quality; safety; and authenticity; non-targeted screening in food; detection of food adulteration and contaminants; big data analytics in food science; smart food processing and quality control

(This special issue belongs to the Section Food Chemistry)

Research on Changes in Nutritional Components and Structure During Food Processing

edited by

Jinhu Tian

, Wei Qin and Natthawuddhi Donlao

submission deadline 28 Feb 2026 | 2 articles | Viewed by 2602 | Submission Open

Keywords: food structure; nutritional components; bioactive compounds; food processing; phytochemicals; health benefits

(This special issue belongs to the Section Food Chemistry)

Advanced Electrode Materials for Electrochemical Energy Storage and Conversion, 3rd Edition

edited by

Jin Niu

Nannan Guo

Yaxin Chen

and Juzhe Liu

submission deadline 28 Feb 2026 | 1 articles | Viewed by 2557 | Submission Open

Keywords: clean energy; advanced electrode material; morphology and structural regulation; electrocatalysis; battery; supercapacitor; electrochemical energy storage; electrochemical energy conversion

(This special issue belongs to the Section Electrochemistry)

Nanomaterials and Nanocomposites: Synthesis, Characterization and Applications in Environmental and Biomedical Sciences

edited by

Rita Patakfalvi

and

Ravichandran Manisekaran

submission deadline 28 Feb 2026 | 3 articles | Viewed by 2313 | Submission Open

Keywords: nanomaterials; diagnostics; therapy; anticancer; antimicrobial; adsorption; photocatalysis; sensor

(This special issue belongs to the Section Nanochemistry)

Density Functional Theory: From Fundamentals to Applications

edited by

Yingang Gui

submission deadline 28 Feb 2026 | 2 articles | Viewed by 2302 | Submission Open

Keywords: DFT; theoretical and computational chemistry; new functional materials; surface modification; structural optimization; electronic proprieties; chemical bond; structure; and reactivity; gas sensing; adsorption and desorption; nanomaterials and nanotechnology

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

Molecular Magnetic Response and Aromaticity

edited by Mesías Orozco-Ic

submission deadline 28 Feb 2026 | 1 articles | Viewed by 2098 | Submission Open

Keywords: aromaticity; magnetic response calculations; magnetic shielding; magnetically induced current densities.

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

Advanced Removal of Emerging Pollutants and Its Mechanism

edited by

Daniela Roxana Popovici

Cătălina Călin

and Dorin Bombos

submission deadline 28 Feb 2026 | 2 articles | Viewed by 2090 | Submission Open

Keywords: emerging contaminants; adsorption interactions; microbial biodegradation; pollutant removal efficiency; innovative technologies

(This special issue belongs to the Section Green Chemistry)

Advanced Photocatalysts for Environmental Remediation and Contaminant Removal

edited by

Jingfei Luan

submission deadline 28 Feb 2026 | 2 articles | Viewed by 1998 | Submission Open

Keywords: nonbiodegradable organic contaminants; antibiotic contaminants; dye contaminants; pesticide pollutants; photocatalytic degradation; advanced photocatalysts; oxidic radicals; degradation pathways; degradation mechanism; photophysical property; photochemical property

(This special issue belongs to the Section Applied Chemistry)

Chemistry and Applications of Compounds Containing Quinoline or Isoquinoline Structure

edited by

Stanislav Kafka

and

José Carlos Menéndez

submission deadline 28 Feb 2026 | 1 articles | Viewed by 1973 | Submission Open

Keywords: quinoline; isoquinoline; synthesis; molecular structure; alkaloids; fluorescence; green chemistry; crystal structure; structure– activity relationship; antitumor agents

(This special issue belongs to the Section Organic Chemistry)

Natural Bioactive Compounds: Therapeutic Potential in the Management of Chronic Diseases

edited by

H. P. Vasantha Rupasinghe

submission deadline 28 Feb 2026 | 1 articles | Viewed by 1799 | Submission Open

Keywords: natural bioactives; phytochemicals; polyphenols; isoprenoids; alkaloids; bioactive lipids and peptides; prebiotics; postbiotics; chronic diseases; non-communicable diseases

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

Natural Product-Inspired Drug Discovery: From Molecular Design to Safety and Translational Pharmacology

edited by