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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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Analytical Insights into Bioactive Compounds in Pharmaceutical Formulations

edited by

Anna Gumieniczek

submission deadline 31 Jan 2026 | 5 articles | Viewed by 6069 | Submission Open

Keywords: bioactive compounds; drug quality control; new pharmaceutical formulations; advanced analytical techniques; falsified medicines; methodologies

(This special issue belongs to the Section Analytical Chemistry)

Molecular Spectroscopy and Molecular Structure in Europe

edited by

Vincent Boudon

submission deadline 31 Jan 2026 | 3 articles | Viewed by 4223 | Submission Open

Keywords: high-resolution molecular spectra; high-resolution experimental techniques; theory of molecular spectra; theory of molecular structure; effective Hamiltonians; quantum chemistry calculations; atmospheric applications; astrophysical applications

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

Multifunctional Crystalline Porous Materials: Design, Synthesis and Applications

edited by Liangliang Zhang

submission deadline 31 Jan 2026 | 4 articles | Viewed by 3456 | Submission Open

Keywords: crystalline porous materials; design; synthesis and applications

(This special issue belongs to the Section Materials Chemistry)

Emerging Topics in Luminescent Materials

edited by Dineshkumar Sengottuvelu and Mohammed Majdoub

submission deadline 31 Jan 2026 | 2 articles | Viewed by 2500 | Submission Open

Keywords: luminous materials; light-emitting devices; photoluminescence properties; quantum dots; perovskite LEDs; sensing materials; biomedical devices; photocatalysis

(This special issue belongs to the Section Materials Chemistry)

Antibacterial Agents: Present and Future

edited by

Aura Rusu

Livia Uncu

and

Octavia-Laura Oancea

submission deadline 31 Jan 2026 | 1 articles | Viewed by 2157 | Submission Open

Keywords: antibacterial resistance; antibacterials; bacteria; bioactive compounds; drug repositioning; drug repurposing; hybrid antibacterials; Infectious diseases; metal complexes; nanoparticles

(This special issue belongs to the Section Chemical Biology)

Influence of Solvent Molecules in Coordination Chemistry

edited by Ingmar Persson

submission deadline 31 Jan 2026 | 3 articles | Viewed by 2049 | Submission Open

Keywords: hydration; solvation; coordination chemistry; chemical property; solid state; aqueous solution; non-aqueous solvents; space demanding at coordination

(This special issue belongs to the Section Inorganic Chemistry)

Synthesis and Derivatization of Heterocyclic Compounds

edited by Philipp Natho and

Marco Colella

submission deadline 31 Jan 2026 | 2 articles | Viewed by 1509 | Submission Open

Keywords: heterocyclic compounds; spirocyclic compounds; enabling technology; synthetic methodologies; strained heterocycles; medicinal chemistry; fused compounds

(This special issue belongs to the Section Organic Chemistry)

Advances in Chemical Research on Biomarkers, Drugs of Abuse, Medicines, and Computational Approaches

edited by

Huixiao Hong

submission deadline 31 Jan 2026 | 2 articles | Viewed by 1492 | Submission Open

Keywords: biomarker discovery; drugs of abuse; therapeutic agents; protein structure analysis; computational drug design; bioanalytical methods; mass spectrometry; molecular dynamics simulations

(This special issue belongs to the Section Medicinal Chemistry)

Green Chemistry Strategies for the Production of Biofuels and Biochemicals from Biomass

edited by

Maryline Abert-Vian

submission deadline 31 Jan 2026 | 1 articles | Viewed by 1251 | Submission Open

Keywords: green chemistry; biomass; biorefinery; bioeconomy; byproduct

(This special issue belongs to the Section Green Chemistry)

Water Electrolysis

edited by Linjing Yang

submission deadline 31 Jan 2026 | 2 articles | Viewed by 1150 | Submission Open

Keywords: electrocatalysts; hydrogen production; water splitting

(This special issue belongs to the Section Electrochemistry)

Advances in Oxide-Based Materials for (Photo)Catalysis

edited by

Dora Alicia Solís-Casados

submission deadline 31 Jan 2026 | 1 articles | Viewed by 1066 | Submission Open

Keywords: oxide-based materials; catalytic materials; synthesis methods; characterization techniques; photocatalysis; heterostructures; sustainable photocatalysis

(This special issue belongs to the Section Photochemistry)

Computational Study and Molecular Modeling in Materials Chemistry

edited by

Andrés Aracena

Osvaldo Yáñez

and Kerry Wrighton-Araneda

submission deadline 31 Jan 2026 | 1 articles | Viewed by 769 | Submission Open

Keywords: computational materials; materials design; molecular modeling; quantum mechanical calculations; molecular dynamics simulations; molecular properties; molecular interactions

(This special issue belongs to the Section Materials Chemistry)

Advances in the Preparation and Application of Cellulose

edited by

Bin Wang

and Chengliang Duan

submission deadline 31 Jan 2026 | 1 articles | Viewed by 622 | Submission Open

Keywords: cellulose; chemical modification; nanofibers; physical modification; biological modification; preparation; application; composite materials

(This special issue belongs to the Section Materials Chemistry)

New Insights in Electrode Materials for Energy Storage and Electrocatalysis

edited by

Sumanta Sahoo

and

Ganesh Dhakal

submission deadline 31 Jan 2026 | 1 articles | Viewed by 583 | Submission Open

Keywords: biomass-derived carbon; transitional metal oxides/sulfides; supercapacitor; oxygen evolution reaction (OER); hydrogen evolution reaction (HER); oxygen reduction reaction (ORR)

(This special issue belongs to the Section Electrochemistry)

Design, Synthesis, and Application of Zeolite Materials

edited by Chengyi Dai, Junjie Li, Jiaxing Zhang and Qingrun Meng

submission deadline 31 Jan 2026 | 1 articles | Viewed by 578 | Submission Open

Keywords: zeolite design; synthetic methodologies; catalytic applications; structure– activity relationships; zeolite nanoscale engineering; interdisciplinary applications; diffusion; selectivity

(This special issue belongs to the Section Applied Chemistry)

Recent Advances in Synthesis of Antiviral Compounds

edited by

Roberta Costi

and Francesco Saccoliti

submission deadline 31 Jan 2026 | Viewed by 518 | Submission Open

Keywords: antiviral; drug design; medicinal chemistry; antiviral small molecules; synthesis; synthetic drugs; antimicrobial

(This special issue belongs to the Section Organic Chemistry)

From Biodiversity to the Modern Use of Medicinal Plants

edited by

Luigi Menghini

, Raimundo Gonçalves De Oliveira Junior,

Claudio Ferrante

and

Simonetta Cristina Di Simone

submission deadline 31 Jan 2026 | Viewed by 432 | Submission Open

Keywords: rational phytotherapy; phytochemical composition; pharmaco-toxicological evaluation; composition/activity relationship; unexplored plant extract; plant biodiversity

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

Progress in CO₂ Storage Materials

edited by

Liang Huang

and Tianshan Xue

submission deadline 31 Jan 2026 | 1 articles | Viewed by 422 | Submission Open

Keywords: carbon capture and storage; mineral carbonation; CO2 sorbents; metal-organic frameworks; porous polymers; catalytic conversion

Vitrimers and Sustainable Polymers: Pioneering Recycling and Controlled Degradation

edited by

Sylvain Caillol

and Marc Guerre

submission deadline 31 Jan 2026 | Viewed by 334 | Submission Open

Keywords: vitrimers; polymer recycling; debonding technologies; circular economy; controlled biodegradation; sustainable polymers; environmental impact

(This special issue belongs to the Section Macromolecular Chemistry)

Advances in High-Performance Liquid Chromatography and Novel Applications

edited by

Adriana Arigò

Petr Česla

and

Emanuela Trovato

submission deadline 31 Jan 2026 | Viewed by 242 | Submission Open

Keywords: HPLC; mass spectrometry; fundamentals; stationary phase; artificial intelligence; sampling; sample preparation; hyphenation; hyphenated techniques; green chemistry

(This special issue belongs to the Section Analytical Chemistry)

Synthesis, Crystal Structure, and Application of Schiff Base Complexes

edited by

Beata Cristóvao

and

Agata Bartyzel

submission deadline 31 Jan 2026 | Viewed by 160 | Submission Open

Keywords: Schiff base; metal complexes; coordination compounds; applications; crystal structure

(This special issue belongs to the Section Organometallic Chemistry)

Emerging Trends in Microextraction Techniques for Bioanalytical Applications

edited by

Constantinos K. Zacharis

submission deadline 31 Jan 2026 | Viewed by 144 | Submission Open

Keywords: sorbent-based microextraction (i.e.; solid phase microextraction (SPME); matrix solid phase dispersion (MSPD); pipette-tip micro solid phase extraction; fabric sorptive phase extraction (FPSE); capsule phase microextraction (CPME); stir bar sorptive extraction (SBSE); etc.); liquid-phase microextraction (dispersive liquid– liquid microextraction; single-drop microextraction; electromembrane extraction; etc.); automation; new materials/sorbents (MOF; COFs; nanomaterials; conductive polymers; magnetic materials; etc.); miniaturization in sample preparation

(This special issue belongs to the Section Analytical Chemistry)

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 139 | 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)

Crystal Structures of Tricky, Unexpected, Labile or Difficult Molecular Structures by Diffraction Methods

edited by

Marco Milanesio

submission deadline 31 Jan 2026 | Viewed by 131 | Submission Open

Keywords: molecular structures; single-crystal diffraction; powder diffraction; unexpected reactions; labile compounds; intermediates; crystallography; molecular complexes; multi-technique approaches

(This special issue belongs to the Section Molecular Structure)

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 131 | 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)

Innovative Green and Photochemical Approaches for Sustainable Organic Synthesis

edited by

Petros Gkizis

submission deadline 31 Jan 2026 | Viewed by 121 | 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)

Analytical Studies of Bioactive Natural Products in Food

edited by

Constantinos Tsiafoulis

submission deadline 31 Jan 2026 | Viewed by 104 | Submission Open

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

(This special issue belongs to the Section Food 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 103 | 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)

Research on Chemical Composition and Activity of Natural Products, 2nd Edition

edited by

Stela Dimitrova

Ana M. Dobreva

and

Petko Denev

submission deadline 31 Jan 2026 | Viewed by 97 | Submission Open

Keywords: natural bioactive compounds; isolation and analysis; metabolism; in vitro and in vivo experiments; pharmacological study

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

Rare Earth Luminescent Materials and Complexes: Structure, Properties and Applications

edited by

Joana Zaharieva

Dimitar Todorovsky

and Vladimira S. Videva

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

Keywords: rare earth elements; lanthanide complexes; luminescent materials; photophysical properties; upconversion; downshifting; coordination compounds; hybrid materials; optical materials; bioimaging; photonics; sensing; nanomaterials; structure– property relationships

(This special issue belongs to the Section Photochemistry)

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 86 | 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)

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

edited by Lara Bianchi and

Massimo Maccagno

submission deadline 31 Jan 2026 | Viewed by 85 | 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)

Featured Review on Essential Oils

edited by

Antoni Szumny

submission deadline 31 Jan 2026 | Viewed by 80 | Submission Open

Keywords: essential oil; aromatic plant; GC-MS; bioactivity

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

Advanced Nanomaterials for Energy Storage Devices, 2nd Edition

edited by

Sudeshna Chandra

submission deadline 31 Jan 2026 | Viewed by 78 | 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)

Exclusive Feature Papers in Electrochemistry—2nd Edition

edited by

Jacek Ryl

and

Tomasz Swebocki

submission deadline 31 Jan 2026 | Viewed by 75 | 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)

Advances in Textile Coloration and Finishing for Sustainable and Smart Textiles

edited by

Joonseok Koh

submission deadline 31 Jan 2026 | Viewed by 71 | Submission Open

Keywords: sustainable dyeing; eco-friendly dyes; functional finishing; smart textiles; green finishing processes

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 70 | 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)

Green Chemistry and Molecular Tools in Agriculture

edited by

Ewa Szpunar-Krok

and

Maria Czernicka

submission deadline 31 Jan 2026 | Viewed by 68 | Submission Open

Keywords: sustainable agriculture; green chemistry; agri-food by-products; bioactive compounds; biostimulants; circular economy; molecular tools; eco-friendly agrochemicals; soil health; precision agriculture

(This special issue belongs to the Section Green Chemistry)

Aroma and Volatile Compounds from Foods

edited by

Tao Feng

submission deadline 31 Jan 2026 | Viewed by 62 | 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)

Novel Electrode Materials for Rechargeable Batteries, 3rd Edition

edited by

Jian Peng

and

Xiaojie Yang

submission deadline 31 Jan 2026 | Viewed by 55 | Submission Open

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

(This special issue belongs to the Section Electrochemistry)

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 50 | 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 50 | 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)

Biologically Active Molecules from Microbes and Plants

edited by

Ritesh Raju

submission deadline 31 Jan 2026 | Viewed by 49 | 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)

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 49 | 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)

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

edited by

Liwen Tan

and

Jianjun Zhang

submission deadline 31 Jan 2026 | Viewed by 49 | 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)

Beyond Convention: Novel Sources, Strategies, and Technologies for Researching Fungal Bioactives

edited by

Karl Wah-Keung Tsim

Xinyu Wang

and

Meixia Yang

submission deadline 31 Jan 2026 | Viewed by 48 | Submission Open

Keywords: fungal bioactives; genome mining; metagenomics; synthetic biology; AI-driven discovery; structure elucidation; extremophilic fungi; drug discovery pipelines

Advances in Medicinal Chemistry for Age-Related Diseases

edited by

Maria João Matos

submission deadline 31 Jan 2026 | Viewed by 46 | Submission Open

Keywords: age-related diseases; neurodegenerative diseases; cardiovascular diseases; bioactive molecules; biomolecules; synthesis; computational studies; medicinal chemistry; chemical biology; drug discovery

(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 42 | 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

Wine Chemistry: From Flavor Profiling to Sensory Quality

edited by

Veronica Sanda Chedea

submission deadline 31 Jan 2026 | Viewed by 40 | Submission Open

Keywords: wine; volatile organic compounds (VOCs); flavor; aroma; phenolic compounds; chemical composition; sensory; fermentation process

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

One Health Drugs Against Vector-Borne Parasitic Diseases—a Sustainable Chemical/Biological Approach

edited by

, Slavica Vaselek and

Gülsah Bayraktar

submission deadline 31 Jan 2026 | Viewed by 32 | Submission Open

Keywords: vector-borne diseases; parasitic diseases; antiparasitic drugs; transmission-blocking drugs; chemotherapy; drug resistance; drug repurposing; pharmacokinetics; natural products; organic production; host-directed therapy; combination therapy; in vitro/in vivo models; drug delivery systems; nanomedicine; pharmacodynamics

(This special issue belongs to the Section Medicinal Chemistry)

Displaying special issue 701-750 on page 15 of 20.

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