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

edited by

Jin Niu

Nannan Guo

Yaxin Chen

and Juzhe Liu

submission deadline 15 Aug 2025 | 1 articles | Viewed by 1026 | 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)

Synthesis and Crystal Structure Studies of Metal Complexes

edited by Anna Świtlicka

submission deadline 20 Aug 2025 | 2 articles | Viewed by 1948 | 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)

Green and Environmentally Friendly Visible-Light- and Transition Metal-Catalyzed Synthesis

edited by

Bogdan Štefane

submission deadline 30 Aug 2025 | 2 articles | Viewed by 3233 | Submission Open

Keywords: green synthesis; sustainable chemistry; transition metal catalysis; light induced transformations; photoredox catalysis; organic synthesis

(This special issue belongs to the Section Organic Chemistry)

Recent Experimental and Theoretical Advances of Corrosion Protection

edited by

Araceli Espinoza-Vázquez

, Miguel Castro, Guillermo E. Negrón-Silva and

Alan Joel Miralrio Pineda

submission deadline 30 Aug 2025 | 1 articles | Viewed by 1439 | Submission Open

Keywords: electrochemical techniques; synthesis of corrosion inhibitors; molecular dynamics; quantum theoretical modelling; coatings

(This special issue belongs to the Section Electrochemistry)

Advances in the Theoretical and Computational Chemistry

edited by

Aurora Costales

and

Fernando Cortés-Guzmán

submission deadline 31 Aug 2025 | 31 articles | Viewed by 88126 | Submission Open

Keywords: chemical reactivity; reaction mechanisms; potential energy surface exploration methods: ab-initio; monte-carlo; and meta molecular; dynamics; non-covalent interactions effects; solvent effects; electron transfer and redox processes; photochemical reactions; reaction forces analysis; reactivity prediction

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

Bioactivity of Natural Compounds: From Plants to Humans

edited by

Guglielmina Froldi

submission deadline 31 Aug 2025 | 16 articles | Viewed by 27118 | Submission Open

Keywords: natural compounds; blood vessel; endothelium dysfunction; advanced glycation end products (AGEs); ROS; cytokines; ADMET properties; pharmacokinetics; gender difference

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

Exploring Bioactive Organic Compounds for Drug Discovery, 2nd Edition

edited by

Wing-Leung Wong

submission deadline 31 Aug 2025 | 14 articles | Viewed by 25909 | Submission Open

Keywords: bioactive compounds; bioactivity evaluation; drug discovery; medicinal chemistry; chemical biology; natural products; lead compounds and pharmacophores; molecular design and organic synthesis

(This special issue belongs to the Section Chemical Biology)

Metal Ions in Supramolecular Chemistry: A Themed Issue in Honor of Professor Luigi Fabbrizzi

edited by

Franca Morazzoni

submission deadline 31 Aug 2025 | 8 articles | Viewed by 21615 | Submission Open

Keywords: supramolecular chemistry; noncovalent interactions; metal-promoted self-assembly; molecular recognition; molecular switches

(This special issue belongs to the Section Inorganic Chemistry)

Small Molecule Hybrids for Anticancer and Antiviral Therapy

edited by

Daniela Perrone

Maria Luisa Navacchia

and

Elisabetta Melloni

submission deadline 31 Aug 2025 | 7 articles | Viewed by 19184 | Submission Open

Keywords: hybrid compounds; bioconjugation; anticancer agents; small-molecule engineered hybrids; antiviral activity; drug development; chemical design and synthesis; biological activity; drug resistance

(This special issue belongs to the Section Medicinal Chemistry)

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

edited by Hazem Salaheldin Elshafie and

Lucia Caputo

submission deadline 31 Aug 2025 | 4 articles | Viewed by 18530 | 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)

Carbon-Based Electrochemical Materials for Energy Storage

edited by Huicong Xia

submission deadline 31 Aug 2025 | 10 articles | Viewed by 13648 | Submission Open

Keywords: carbon-based nanomaterials; energy storage; batteries; supercapacitors; fuel cells; electrochemical reactions

(This special issue belongs to the Section Electrochemistry)

Effects of Functional Foods and Dietary Bioactives on Human Health

edited by

Shaobo Zhou

Linhong Yuan

and Xiao Hu

submission deadline 31 Aug 2025 | 9 articles | Viewed by 13270 | Submission Open

Keywords: food science; bioactive peptides; nutrition and health science; bioactive compounds; drug discovery; synthesis; pharmacological activity; functional foods

(This special issue belongs to the Section Food Chemistry)

Metabolites of Biofunctional Interest from Plant Sources

edited by

Rosalva Mora-Escobedo

Cristian Jiménez Martínez

and

Mercedes Martín Pedrosa

submission deadline 31 Aug 2025 | 8 articles | Viewed by 12993 | Submission Open

Keywords: plant metabolites; biological activity; medicinal plants; functional plants; plant extracts

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

Advances in Molecular Modeling in Chemistry, 2nd Edition

edited by

Heng Zhang

and Shiling Yuan

submission deadline 31 Aug 2025 | 8 articles | Viewed by 12780 | Submission Open

Keywords: molecular modeling; applications; quantum chemistry calculation; molecular dynamic simulation; Monte Carlo simulation; combined experimental and simulation studies

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

Novel Adsorbents for Environmental Pollutants' Removal

edited by Jiwei Hu

submission deadline 31 Aug 2025 | 6 articles | Viewed by 9558 | Submission Open

Keywords: novel adsorbents; environmental pollutants removal; synthesis and self-assembly; characterization; low dimensional carbon-based nanocomposites; metal-organic framework-derived nanohybrids; adsorption isotherm; adsorption thermodynamics and kinetics; applications of artificial intelligence and molecular modeling

(This special issue belongs to the Section Applied 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 31 Aug 2025 | 4 articles | Viewed by 9439 | 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)

Two-Dimensional Materials: From Synthesis to Applications, 2nd Edition

edited by

Sake Wang

Nguyen Tuan Hung

and

Minglei Sun

submission deadline 31 Aug 2025 | 7 articles | Viewed by 8891 | Submission Open

Keywords: two-dimensional materials; graphene; transition-metal dichalcogenides; spintronics; valleytronics; twistronics; plasmonics; photonics

(This special issue belongs to the Section Materials Chemistry)

Porphyrin-Based Compounds: Synthesis and Application, 2nd Edition

edited by

Carlos Monteiro

M. Amparo F. Faustino

and

Carlos Serpa

submission deadline 31 Aug 2025 | 6 articles | Viewed by 7827 | Submission Open

Keywords: synthesis of porphyrins and derivatives; functionalization/structural modification of porphyrinoids; structural and photophysical characterization; porphyrinic functional materials; biomedical applications optoelectronic applications; porphyrin– protein interactions

(This special issue belongs to the Section Organic Chemistry)

Application of Spectroscopy for Drugs

edited by

Congbao Kang

submission deadline 31 Aug 2025 | 3 articles | Viewed by 7440 | Submission Open

Keywords: structure and dynamics; analytical techniques; biomolecular interactions; pharmacokinetics; metabolism; drug stability; drug discovery

(This special issue belongs to the Section Medicinal Chemistry)

Bioactive Compounds from Natural Sources: Discovery, Evaluation and Applications, 2nd Edition

edited by

Tao Liu

Clementina Manera

and

Francesca Gado

submission deadline 31 Aug 2025 | 6 articles | Viewed by 7346 | Submission Open

Keywords: bioactive compound; natural product; isolation; synthesis; structural elucidation; bioactivity evaluation

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

Research Progress and Application of Natural Compounds—2nd Edition

edited by

Claudiu N. Lungu

and

Ionel Mangalagiu

submission deadline 31 Aug 2025 | 4 articles | Viewed by 6869 | Submission Open

Keywords: natural products; primary and secondary metabolites; bioactive compounds; bioactive peptides; anticancer natural products; flavonoids; drug design

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

Current Research Status of Metal-Organic Frameworks and Covalent Organic Frameworks

edited by Teng Zhang and Wenju Wang

submission deadline 31 Aug 2025 | 5 articles | Viewed by 6592 | Submission Open

Keywords: gas separation; gas storage; catalyst; chemical sensing; biological application; energy storage

(This special issue belongs to the Section Materials Chemistry)

Bio-Based Polymers for Sustainable Future

edited by

Marija Gorjanc

submission deadline 31 Aug 2025 | 7 articles | Viewed by 6562 | Submission Open

Keywords: bio-based polymers; bio-based composites; bio-based textiles; bio-based polymers for 3D printing; bio-based packaging; functional bio-based polymers; recyclability and biodegradation of bio-based polymers; LCA of bio-based polymers; application of bio-based polymers

(This special issue belongs to the Section Materials Chemistry)

Biobased Materials for Tissue Engineering

edited by

Carlos David Grande Tovar

submission deadline 31 Aug 2025 | 3 articles | Viewed by 6512 | Submission Open

Keywords: biobased materials; biopolymers; scaffold development; tissue engineering; regenerative therapy; cell culture; stem cell therapy; drug delivery; hydrogels; wound dressing

(This special issue belongs to the Section Materials Chemistry)

Amphiphilic Molecules, Interfaces and Colloids: 2nd Edition

edited by

Plamen Tchoukov

and Khristo Khristov

submission deadline 31 Aug 2025 | 7 articles | Viewed by 6461 | Submission Open

Keywords: emulsions; foams; sols; gels; amphiphilic molecules; self-assembled structures; phase behavior; surface forces; intermolecular forces; adsorption; rheology; design of functionalized colloids; thin liquid films

(This special issue belongs to the Section Physical Chemistry)

Novel Analytical Methods to Evaluate and Monitor the Pollutants

edited by

Xiupei Yang

submission deadline 31 Aug 2025 | 3 articles | Viewed by 6457 | Submission Open

Keywords: environmental analytical chemistry; contaminants; environmental pollution; chemosensors; chromatography; analytical methods; detection; analysis

(This special issue belongs to the Section Analytical Chemistry)

New Achievements and Challenges in Food Chemistry

edited by

Jie Chen

and Qiuming Chen

submission deadline 31 Aug 2025 | 5 articles | Viewed by 5902 | Submission Open

Keywords: food processing innovations; alternative proteins; bioactive compounds; food safety; food storage; flavour chemistry; food enzyme design; AI-assisted technologies; novel analytical methods

(This special issue belongs to the Section Food Chemistry)

Recent Advances in Natural Compounds Research: Chemistry, Biology and Biotechnology

edited by

Simona Fabroni

Krystian Marszałek

and

Aldo Todaro

submission deadline 31 Aug 2025 | 4 articles | Viewed by 5261 | Submission Open

Keywords: bioactive constituents; phytoextract; biological activity

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

Advances in Organic Synthesis in Pharmaceuticals, Agrochemicals and Materials

edited by Zhaoyang Wang and Jiuzhong Huang

submission deadline 31 Aug 2025 | 5 articles | Viewed by 4480 | Submission Open

Keywords: organic synthetic methods; synthesize pharmaceuticals; agrochemicals; and materials; organic photosynthesis; organic electrochemical synthesis; biocatalysis; AI-based organic synthesis

(This special issue belongs to the Section Organic Chemistry)

Exclusive Feature Papers in Analytical Chemistry

edited by

João Pinto da Costa

and

Teresa A. P. Rocha-Santos

submission deadline 31 Aug 2025 | 6 articles | Viewed by 4123 | Submission Open

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

(This special issue belongs to the Section Analytical Chemistry)

Porous Carbon Materials: Preparation and Application

edited by

Jianxiao Yang

submission deadline 31 Aug 2025 | 6 articles | Viewed by 3740 | Submission Open

Keywords: porous carbon materials; energy storage; environmental science; sensors; adsorption; catalysis

(This special issue belongs to the Section Applied Chemistry)

New Insights into Flavour Chemistry

edited by

Yuan Liu

Wen Ma

and Jingya Ai

submission deadline 31 Aug 2025 | 2 articles | Viewed by 3722 | Submission Open

Keywords: flavor science; perception mechanisms; sensory perception; health; flavor analysis techniques

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

Advances in Phenolic Based Complexes

edited by

Kiril B. Gavazov

submission deadline 31 Aug 2025 | 4 articles | Viewed by 3541 | Submission Open

Keywords: phenolic compounds; complexes; structure; properties; applications; analysis

Organic Synthesis of Nitrogen-Containing Molecules

edited by

Guigen Li

and Guofu Zhong

submission deadline 31 Aug 2025 | 2 articles | Viewed by 2785 | Submission Open

Keywords: asymmetric synthesis; N-heterocycles; noncyclic amino compound; amino compound; new synthetic methodologies

(This special issue belongs to the Section Organic Chemistry)

Chemical Design and Synthesis of Antimicrobial Drugs

edited by Ma Su and

Diana I.S.P. Resende

submission deadline 31 Aug 2025 | 3 articles | Viewed by 2649 | 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)

Advances in the Application of Nanoparticles in Antimicrobial Research

edited by

Paulina Laura Páez

and

Maria Luisa Saladino

submission deadline 31 Aug 2025 | 2 articles | Viewed by 2399 | Submission Open

Keywords: nanoparticles; nanobiomaterials; antimicrobial activity; antimicrobial resistance; photodynamic antimicrobial therapy; innovation; drug delivery; sustainability

(This special issue belongs to the Section Nanochemistry)

Virgin Olive Oil: Processing, Byproducts, Quality Control, and Nutraceutical Profile—3rd Edition

edited by

Carlotta Breschi

Lorenzo Cecchi

and

Maria Bellumori

submission deadline 31 Aug 2025 | 3 articles | Viewed by 2244 | Submission Open

Keywords: virgin olive oil quality authentication; byproduct management; volatile compounds; phenolic compounds; sensory analysis; health-promoting properties; biological activity; authentication of origin; innovative extraction processes

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

Antioxidant Activity of Plant Phenolics, 2nd Edition

edited by

Dimitrios Kouretas

and

Zoi Skaperda

submission deadline 31 Aug 2025 | 1 articles | Viewed by 2145 | Submission Open

Keywords: antioxidants; plants; phytochemical compounds; polyphenols; oxidative stress; natural products; bioactive compounds; herbs; biomarkers

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

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

edited by

Letizia Giampietro

submission deadline 31 Aug 2025 | 1 articles | Viewed by 2114 | 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)

Ionic Liquids and Deep Eutectic Solvents in Green Chemistry

edited by Marina Cvjetko Bubalo,

Ivana Radojcic Redovnikovic

and

Ana Jurinjak Tušek

submission deadline 31 Aug 2025 | 1 articles | Viewed by 1874 | Submission Open

Keywords: ionic liquids; deep eutectic solvents; green chemistry

(This special issue belongs to the Section Green Chemistry)

Exclusive Feature Papers on Molecular Structure, 2nd Edition

edited by

Chan Kyung Kim

submission deadline 31 Aug 2025 | 3 articles | Viewed by 1827 | Submission Open

Keywords: molecular structure; chemical bonding; molecular clusters; molecular similarity; protein structure prediction; quantum chemistry; spectroscopy; molecular dynamics simulations

(This special issue belongs to the Section Molecular Structure)

Microwave-Assisted Synthesis and Extraction in Green Chemistry

edited by Yusuke Asakuma and Quan V. Vuong

submission deadline 31 Aug 2025 | 1 articles | Viewed by 1752 | Submission Open

Keywords: microwave extraction; synthesis; green chemistry; microwave engineering; microwave radiation effect; microwave extraction of natural products

(This special issue belongs to the Section Green Chemistry)

Synthesis, Characterization and Application of Photocatalytic Materials

edited by

Tiekun Jia

and

Fei Long

submission deadline 31 Aug 2025 | 1 articles | Viewed by 1633 | Submission Open

Keywords: nanomaterials; nanocomposites; morphology modulation; vacancy engineering; band alignment; atomic modulation; waste water treatment; organic pollutant; water splitting

(This special issue belongs to the Section Photochemistry)

Extraction, Isolation, and Identification of Bioactive Compounds from Plants

edited by

Gina Rosalinda De Nicola

and

Sabine Montaut

submission deadline 31 Aug 2025 | 1 articles | Viewed by 1564 | Submission Open

Keywords: natural products; extraction methods; isolation methods; chromatography; chemical characterization; bioactivity; antioxidant; antimicrobial; antiinflammation; bio-guided assay; biopesticides; biostimulants; nutraceuticals

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

5th Anniversary of Applied Chemistry Section

edited by

Shaojun Yuan

submission deadline 31 Aug 2025 | 2 articles | Viewed by 1530 | Submission Open

Keywords: applied chemistry; new molecules and natural materials; solar energy and photo-electro-catalysis; analytical methods and techniques; electrochemistry and energy; biodegradable materials and medicines; environment and green chemistry

(This special issue belongs to the Section Applied Chemistry)

Natural Products Biosynthesis: Present and Perspectives

edited by Dae-Yeon Suh

submission deadline 31 Aug 2025 | 1 articles | Viewed by 1237 | Submission Open

Keywords: natural products biosynthesis; secondary metabolism; biosynthetic pathway; enzyme mechanism; synthetic biology; bioinformatics; phylogenomics; genome mining

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

Methods and Applications of Cycloaddition Reactions

edited by

Agnieszka Łapczuk

submission deadline 31 Aug 2025 | 1 articles | Viewed by 1234 | Submission Open

Keywords: cycloaddition reactions; organic synthesis; quantum– chemical calculations; cycloaddition in medicinal chemistry; cycloaddition in polymer chemistry; cycloaddition in materials science; bioactive compounds; click chemistry

(This special issue belongs to the Section Organic Chemistry)

Mesoporous Materials for Electrochemical Energy Storage

edited by Shuge Dai and

Cunyue Guo

submission deadline 31 Aug 2025 | 1 articles | Viewed by 1063 | Submission Open

Keywords: mesoporous materials; energy storage; electrocatalyst; water splitting

(This special issue belongs to the Section Materials Chemistry)

Antioxidant, and Anti-Inflammatory Activities of Natural Plants

edited by Zofia Niziol-Lukaszewska and Aleksandra Ziemlewska

submission deadline 31 Aug 2025 | 1 articles | Viewed by 1035 | 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)

Chromatography—The Ultimate Analytical Tool, 3rd Edition

edited by

Victoria Samanidou

and

Natasa Kalogiouri

submission deadline 31 Aug 2025 | 1 articles | Viewed by 896 | Submission Open

Keywords: chromatography; high-performance liquid chromatography; ultra-high-performance liquid chromatography; gas chromatography; two-dimensional gas chromatography; two-dimensional liquid chromatography; paper chromatography; liquid chromatography; preparative chromatography; supercritical fluid chromatography; thin-layer chromatography

(This special issue belongs to the Section Analytical Chemistry)

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