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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 in Heterocyclic Synthesis, 2nd Edition

edited by

Francesca Marini

submission deadline 30 Nov 2025 | 1 articles | Viewed by 2196 | Submission Open

Keywords: heterocycles; stereoselective synthesis; sustainable synthesis; one-pot reactions; multicomponent reactions; catalysis

(This special issue belongs to the Section Organic Chemistry)

Metal Complexes: Synthesis, Characterization and Applications

edited by

Raquel G. Soengas

and

Sara M. Soto

submission deadline 30 Nov 2025 | 2 articles | Viewed by 2163 | Submission Open

Keywords: coordination compounds; synthetic strategies; magnetic properties; optical properties; metallodrugs; catalysis

(This special issue belongs to the Section Organometallic Chemistry)

Novel Membranes and Coatings for Biomedical and Food Applications

edited by

Jurak Małgorzata

submission deadline 30 Nov 2025 | 2 articles | Viewed by 1902 | Submission Open

Keywords: model cell membranes; biocompatible and edible coatings; bioactive compounds; nutrients; biomaterials; surface characteristics; dispersion systems

(This special issue belongs to the Section Applied Chemistry)

Exploring the Therapeutic Potential of Peptides in Anti-Cancer Treatments

edited by

Anna Lucia Tornesello

and

Giancarlo Morelli

submission deadline 30 Nov 2025 | 1 articles | Viewed by 1860 | Submission Open

Keywords: anticancer peptides; antimicrobial peptides; cell-penetrating peptides; therapeutic peptides; cancer vaccine; theranostics; peptidomimetics; anticancer drugs; metal– peptide drugs

(This special issue belongs to the Section Medicinal Chemistry)

Nanomaterials for Biomedicine: Innovations and Challenges

edited by

Jianxun Ding

and

Guanqing Yang

submission deadline 30 Nov 2025 | 2 articles | Viewed by 1806 | Submission Open

Keywords: nanomaterial; targeted drug delivery; bio-imaging; antimicrobial application; cancer immunotherapy; nanovaccine

(This special issue belongs to the Section Nanochemistry)

Advances in Anticancer Activity of Natural Products and Related Compounds

edited by

Alexandra Mioc

submission deadline 30 Nov 2025 | 2 articles | Viewed by 1662 | Submission Open

Keywords: natural compounds; anticancer activity; bioactive compounds; cancer therapeutics; drug resistance; synergistic effect

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

Novel Antimicrobial Molecules Derived from Natural Sources

edited by

Guadalupe Virginia Nevárez-Moorillón

submission deadline 30 Nov 2025 | 1 articles | Viewed by 1660 | Submission Open

Keywords: antibiotics; mechanism of action; plant antimicrobials; animal antimicrobials; chemical characterization; bacteriocins

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

Inorganic Photoelectric Functional Materials: Design, Synthesis and Applications

edited by Luyi Zou

submission deadline 30 Nov 2025 | 2 articles | Viewed by 1651 | Submission Open

Keywords: photoelectric material; molecular structure; molecular composition; structural performance

(This special issue belongs to the Section Inorganic Chemistry)

Bioactive Compounds Encapsulation System: Design and Applications

edited by

Yong-Jiang Xu

and

Gangcheng Wu

submission deadline 30 Nov 2025 | 1 articles | Viewed by 1635 | Submission Open

Keywords: bioactive compounds; encapsulation; nanocarriers; bioavailability; targeted delivery; drug delivery; functional foods

(This special issue belongs to the Section Food Chemistry)

Advances in Transition Metal Catalysis for Organic Synthesis

edited by

Haibo Ge

and

Chong Liu

submission deadline 30 Nov 2025 | 1 articles | Viewed by 1630 | Submission Open

Keywords: transition metal catalysis; organometallic chemistry; organic synthesis; alkene functionalization; C-H functionalization

(This special issue belongs to the Section Organometallic Chemistry)

Advanced Oxidation of Emerging Pollutants in Water

edited by Rongfang Yuan

submission deadline 30 Nov 2025 | 1 articles | Viewed by 1628 | Submission Open

Keywords: advanced oxidation; photocatalytic oxidation; photoelectrocatalytic processes; ultrasonic irradiation; peroxymonosulfate activation; emerging pollutants; water treatment

(This special issue belongs to the Section Green Chemistry)

Advances in Electrochemical Reactions, Mechanisms and Sensing Applications

edited by

Angel A. J. Torriero

submission deadline 30 Nov 2025 | 1 articles | Viewed by 1621 | Submission Open

Keywords: electrochemical reactions; reaction mechanisms; electrocatalysis; electrochemical sensing; organic and organometallic compounds; analytical electrochemistry

(This special issue belongs to the Section Electrochemistry)

Applications of EPR Spectroscopy in Various Fields of Scientific Research

edited by

Yordanka Karakirova

submission deadline 30 Nov 2025 | 1 articles | Viewed by 1364 | Submission Open

Keywords: EPR spectroscopy; free radicals; paramagnetic species; dosimetry; food technology; archeology; environmental; catalysis

(This special issue belongs to the Section Analytical Chemistry)

Natural Bioactive Compounds from Traditional Asian Plants—Second Edition

edited by

Mikio Nishizawa

submission deadline 30 Nov 2025 | 1 articles | Viewed by 1287 | Submission Open

Keywords: natural product; medicinal plants; traditional medicine; bioactive molecules; crude drugs

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

Recent Developments in Chromatographic Applications in Medicine

edited by Anna Tsantili-Kakoulidou and Fotios Tsopelas

submission deadline 30 Nov 2025 | 1 articles | Viewed by 1221 | Submission Open

Keywords: chromatography; drug development; quality control; quantitative structure– retention relationships (QSRRs); quantitative retention– property relationships (QRPRs); chemometrics; adsorption– distribution– metabolism– excretion– toxicity (ADMET properties)

(This special issue belongs to the Section Analytical Chemistry)

Design, Synthesis and Evaluation of Novel Anticancer Agents, 2nd Edition

edited by

Gheorghita Zbancioc

submission deadline 30 Nov 2025 | 1 articles | Viewed by 1209 | Submission Open

Keywords: anticancer agents; medicinal chemistry; heterocycles; azines; azoles

(This special issue belongs to the Section Medicinal Chemistry)

Biopolymers for Drug Delivery Systems

edited by

Ildikó Bácskay

and Petra Arany

submission deadline 30 Nov 2025 | 2 articles | Viewed by 1179 | Submission Open

Keywords: drug delivery systems; biopolymers; personalized medication; nanoparticle; hydrogel; 3D printing

(This special issue belongs to the Section Medicinal Chemistry)

Extraction of Plant-Derived Bioactives: Impacts on Human Health and Pharmacological Applications

edited by

Roman Paduch

submission deadline 30 Nov 2025 | 1 articles | Viewed by 1164 | Submission Open

Keywords: plant extracts; bioactivity; pharmacology; human health; natural compounds extraction; natural compounds activity; pharmacokinetics

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

Physical–Chemical Interactions and Composition–Structure–Property Modifications During Food Processing

edited by

Emilia Janiszewska-Turak

Anna Gramza-Michałowska

and

Karolina Szulc

submission deadline 30 Nov 2025 | 1 articles | Viewed by 1164 | Submission Open

Keywords: structure; food; thermal properties; chemical composition

(This special issue belongs to the Section Food Chemistry)

From Biomass to High-Value Products: Processes and Applications

edited by

Sung Phil Mun

submission deadline 30 Nov 2025 | 2 articles | Viewed by 988 | Submission Open

Keywords: biomass valorization; biorefineries; green chemistry; bio-based products; catalysis; thermochemical conversion; sustainable materials

(This special issue belongs to the Section Applied Chemistry)

Bioactive Properties and Chemical Composition of Wild Edible Species, 2nd Edition

edited by Spyridon Petropoulos

submission deadline 30 Nov 2025 | 1 articles | Viewed by 986 | Submission Open

Keywords: wild edible species; bioactive properties; polyphenols; antioxidant activity; antimicrobial properties; carotenoids; vitamins

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

Purposeful Assembly and Versatile Applications of Advanced Crystalline Frameworks

edited by

Liming Fan

submission deadline 30 Nov 2025 | 1 articles | Viewed by 969 | Submission Open

Keywords: metal– organic frameworks; covalent organic frameworks; hydrogen-bonded organic frameworks; post-synthetic modification strategy; composite materials

(This special issue belongs to the Section Inorganic Chemistry)

Advanced Removal of Emerging Pollutants and Its Mechanism

edited by

Daniela Roxana Popovici

Cătălina Călin

and Dorin Bombos

submission deadline 30 Nov 2025 | 1 articles | Viewed by 879 | Submission Open

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

(This special issue belongs to the Section Green Chemistry)

Chemical Research on Photosensitive Materials, 2nd Edition

edited by Shengjie Wang

submission deadline 30 Nov 2025 | 1 articles | Viewed by 865 | Submission Open

Keywords: photosensitive materials; photochromic materials; photoluminescence materials; photothermal materials; photovoltaic materials; photocatalysts

(This special issue belongs to the Section Materials Chemistry)

Cross-Coupling Strategies for the Synthesis of Functionalized Organic Compounds

edited by Xiaobo Pang and Han-jun Ai

submission deadline 30 Nov 2025 | 1 articles | Viewed by 804 | Submission Open

Keywords: cross-coupling; transition metal catalysis; palladium catalysis; copper catalysis; nickel catalysis; C– N bond formation; C– C bond formation; photoredox; electrochemistry; organic synthesis; functionalized molecules; catalytic mechanisms; green chemistry

(This special issue belongs to the Section Organic Chemistry)

Role of Computer Aided Drug Design in Drug Development, Second Edition

edited by

Murilo Lamim Bello

submission deadline 30 Nov 2025 | Viewed by 491 | Submission Open

Keywords: computer-aided drug design; molecular modeling and simulations; machine learning and artificial intelligence; drug synthesis pathway design; drug carriers design; drug crystal structures modeling

(This special issue belongs to the Section Medicinal Chemistry)

30th Anniversary of Molecules—Recent Advances in Ultrasound Chemistry

edited by

and

submission deadline 30 Nov 2025 | Viewed by 476 | Submission Open

Keywords: ultrasound; hydrodynamic cavitation; sonochemistry; sonocrystallisation; sono processing; sono extraction; applications in chemical engineering

(This special issue belongs to the Section Ultrasound Chemistry)

Photoelectrochemical Properties of Nanostructured Thin Films

edited by

Sadaf Bashir Khan

, Zheng Xie and Xiaofeng Zhao

submission deadline 30 Nov 2025 | 1 articles | Viewed by 469 | Submission Open

Keywords: photoelectrochemical water splitting; CO2 reduction; photocatalysis; surface engineering; co-catalyst integration; sustainable energy conversion; thin-film heterojunctions; advanced functional nanomaterials

(This special issue belongs to the Section Photochemistry)

Innovative and Sustainable Enzymatic Strategies Towards Chiral Products

edited by Enikő Forró and

László Poppe

submission deadline 30 Nov 2025 | Viewed by 339 | Submission Open

Keywords: dynamic kinetic resolution; enzyme catalyzed transformation; green technology; kinetic resolution; pharmaceutically important enantiomers; sequential kinetic resolution; sustainable enzymatic strategy

(This special issue belongs to the Section Green Chemistry)

Photo- and Electro-Catalysts for Carbon Neutrality

edited by Niantzu Suen and Jianhua Hou

submission deadline 30 Nov 2025 | Viewed by 305 | Submission Open

Keywords: photocatalyst; electrocatalyst; hydrogen evolution reaction; CO2 reduction; carbon neutrality; heterogeneous catalyst; renewable energy

(This special issue belongs to the Section Materials Chemistry)

New Perspective on Polysaccharides: From Isolation to Biological Evaluation

edited by

Peng Lei

and Zhiqiang Xiong

submission deadline 30 Nov 2025 | Viewed by 297 | Submission Open

Keywords: extraction methodology; separation technology; bioactivities; biological evaluation; polysaccharides

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

Anti-Inflammatory and Antimicrobial Compounds and Extracts from Plant Sources

edited by

Catherine C. Neto

and

Hang Ma

submission deadline 30 Nov 2025 | Viewed by 283 | Submission Open

Keywords: phytochemicals; anti-inflammatory; antimicrobial; plants; extracts; botanicals; metabolites; functional foods

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

Phytochemicals from Agricultural Production By-Products and Wastes and Their Re-Use

edited by

Ailton Cesar Lemes

Ivaldo Itabaiana Junior

and

Débora de Oliveira

submission deadline 30 Nov 2025 | Viewed by 277 | Submission Open

Keywords: phytochemical recovery; agricultural by-products; sustainable valorization; circular economy; bioactive compounds; biorefinery processes

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

Recent Advances in Charge-Transfer/Biomimetic Coordination Chemistry – Electrochemistry, Photochemistry, Catalysis, Biological Application and Theory

edited by

Frantisek Hartl

and Martin Pižl

submission deadline 30 Nov 2025 | Viewed by 245 | Submission Open

Keywords: electrochemistry; photochemistry; theoretical calculations; catalysis; biological application; synthesis

(This special issue belongs to the Section Inorganic Chemistry)

Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics, 4th Edition

edited by

Marco Tutone

Anna Maria Almerico

and

Giulia Culletta

submission deadline 30 Nov 2025 | Viewed by 244 | Submission Open

Keywords: QSAR and 3D-QSAR; unbiased and biased molecular dynamics; pharmacophore modeling; reverse modeling; ab initio calculations; protein– protein interactions; free energy profiling; modeling of nucleic acids (mRNA; rRNA; tRNA); molecular docking; virtual screening; multitarget approaches; ADMET prediction; similarity analysis; computational approaches applied to natural compounds and nutraceuticals

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

Design, Synthesis and Performance Evaluation of Advanced Metal Catalysts

edited by Xinbao Li

submission deadline 30 Nov 2025 | Viewed by 244 | Submission Open

Keywords: metal catalysts; catalyst design; innovative synthesis; performance evaluation; catalytic mechanism

(This special issue belongs to the Section Materials Chemistry)

Progress in Nanomaterials for Pollutant Removal

edited by

Sriram Ganesan

submission deadline 30 Nov 2025 | Viewed by 229 | Submission Open

Keywords: nanomaterials; high surface area; surface modification; high removal efficiency; emerging contaminants; single and/or binary mixture; adsorption; degradation

Antitumor Bioactive Compounds: Synthesis, Extraction and Evaluation

edited by

Fatima Cerqueira

and

Rui Medeiros

submission deadline 30 Nov 2025 | Viewed by 228 | Submission Open

Keywords: antitumor; synthetic compounds; natural compounds; mechanism of action

(This special issue belongs to the Section Medicinal Chemistry)

Photo- and Electro-Chemical Synthesis and Their Combined Processes

edited by

Carlos A. Martínez-Huitle

submission deadline 30 Nov 2025 | Viewed by 228 | Submission Open

Keywords: photoelectrochemical; electrochemical; synthesis; hydrogen; valuable compounds; energy production and conversion; CO2; fuels

(This special issue belongs to the Section Electrochemistry)

Bioinorganic Chemistry of Metal Ions

edited by

Ana D. Popović Bijelić

submission deadline 30 Nov 2025 | Viewed by 218 | Submission Open

Keywords: metalloproteins; metalloenzymes; metal clusters; metal– organic frameworks; oxygen-evolving Mn4CaO5 cluster; drug targets; metal-associated pathologies

(This special issue belongs to the Section Inorganic Chemistry)

Modern Sample Preparation Approaches for Separation Science, 2nd Edition

edited by

Nuno Neng

submission deadline 30 Nov 2025 | Viewed by 210 | Submission Open

Keywords: sample preparation; enrichment techniques; sorption-based methods; virtual sample preparation; microextraction techniques; new analytical strategies; separation techniques

(This special issue belongs to the Section Analytical Chemistry)

Development and Applications of Single-Atom Catalysts

edited by

Mingjun Xiao

and Jin Xie

submission deadline 30 Nov 2025 | Viewed by 175 | Submission Open

Keywords: single-atom catalysts; catalytic mechanisms; electrocatalysis; photocatalysis; biocatalysis; green catalysis; nanocatalysis; catalytic reactions; catalyst design and synthesis; selectivity and activity; energy conversion; environmental catalysis

(This special issue belongs to the Section Organic Chemistry)

Advances in Molecular Electric, Magnetic and Optical Properties

edited by

Marcos Augusto de Lima Nobre

submission deadline 30 Nov 2025 | Viewed by 168 | Submission Open

Keywords: optical properties; magnetic properties; electrical and dielectrical properties; molecular interactions; spectroscopic characterization; molecular vibrations; complex molecules

(This special issue belongs to the Section Molecular Structure)

Innovative Materials for Wastewater Treatment Applications

edited by

Anastasia D. Pournara

Manolis Manos

and

Dimosthenis Giokas

submission deadline 30 Nov 2025 | Viewed by 167 | Submission Open

Keywords: wastewater treatment; heavy metal removal; adsorption and ion exchange; metal– organic frameworks (MOFs); metal sulfide sorbents; nanomaterials; functionalized composites; emerging pollutants

(This special issue belongs to the Section Materials Chemistry)

DYRK Protein Kinases: Function and Inhibition

edited by

Isao Kii

submission deadline 30 Nov 2025 | Viewed by 141 | Submission Open

Keywords: DYRK1A; DYRK1B; DYRK2; DYRK3; DYRK4; Down syndrome; metabolic syndrome; cancer; cilia

(This special issue belongs to the Section Chemical Biology)

Chemical and Physical Interactions Between Food and Packaging: Safety, Stability, and Quality

edited by

Agnieszka Ciurzyńska

and

Monika Janowicz

submission deadline 30 Nov 2025 | Viewed by 141 | Submission Open

Keywords: packaging; coating; physical properites; chemical properties; food quality; food safety

(This special issue belongs to the Section Food Chemistry)

Nanotechnology in the Development of Battery Materials

edited by

Tao Wang

, Xiaoli Fan and Xianguang Meng

submission deadline 30 Nov 2025 | Viewed by 132 | Submission Open

Keywords: nanotechnology; batteries; Li/Na/K/Ca/Mg/Al battery; fuel cell; metal-air battery; solar cell; solid-state battery

(This special issue belongs to the Section Nanochemistry)

Biopolymer-Based Materials: Preparation, Properties and Applications

edited by

Gabriela Dudek

submission deadline 30 Nov 2025 | Viewed by 124 | Submission Open

Keywords: biopolymer; biopolymer based; material; preparation; processing; characterization; modification; physicochemical; mechanical; application; packaging; biomedical engineering; agriculture; environmental remediation

(This special issue belongs to the Section Green Chemistry)

Molecular Recognition for the Detection of Food Contaminants

edited by Wenlei Zhai and Zhiyong Yan

submission deadline 30 Nov 2025 | Viewed by 110 | Submission Open

Keywords: food contaminants; molecular recognition; antibodies and aptamers; molecular probe and molecularly imprinted polymers; pesticides and veterinary drugs; mycotoxins; illegal additives; heavy metal ions and organic pollutants

(This special issue belongs to the Section Analytical Chemistry)

Advances in Nonlinear Optical Molecular Materials

edited by Abdelkrim El-Ghayoury

submission deadline 30 Nov 2025 | Viewed by 104 | Submission Open

Keywords: nonlinear optics; organic materials; hybrid composites; optoelectronics; chromophores; polymer composites; electro-optic effects; molecular engineering; structure– property relationships

(This special issue belongs to the Section Materials Chemistry)

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