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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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Understanding the Structure and Properties of Adaptable Solvents via Computational Methods and Their Application

edited by Richard P. Matthews

submission deadline 31 Oct 2026 | Viewed by 235 | Submission Open

Keywords: solvent design; ionic liquids; deep eutectic solvents; density functional theory (DFT); non-covalent interactions; structure–property relationships

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

Recent Progress of AI-Based Electrochemical Biosensors

edited by Zihni Onur Uygun and Ferhan Sağın

submission deadline 31 Oct 2026 | Viewed by 230 | Submission Open

Keywords: biosensors; artificial intelligence in biosensing; smart point-of-care diagnostics; intelligent signal processing; environmental monitoring

(This special issue belongs to the Section Electrochemistry)

Rational Design and Optimization of Catalysts for Biomass Valorization

edited by Muhammad Saeed Akhtar and

Eun Duck Park

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

Keywords: biomass valorization; catalytic biomass conversion; catalyst design; green chemistry; renewable resources; electrocatalysis; photocatalysis; reaction mechanisms

(This special issue belongs to the Section Green Chemistry)

Photosensitizers and Photodynamic Therapy

edited by

Vanya Mantareva

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

Keywords: photosensitizers; porphyrinoids; natural photosensitive compounds; photophysics and photochemistry; singlet oxygen; photodynamic therapy

(This special issue belongs to the Section Photochemistry)

Next-Generation Photochromic and Photofunctional Materials

edited by Junbiao Wu

submission deadline 31 Oct 2026 | Viewed by 228 | Submission Open

Keywords: photochromism; photofunctional materials; light-induced electron and ion transfer; proton-coupled; photoresponses; excited-state processes; solid-state photochemistry; inorganic–organic hybrid materials; metal–organic frameworks (MOFs); hydrogen-bonded organic frameworks (HOFs); zeolites and porous materials; low-dimensional and nanostructured materials; photonic and plasmonic materials; optical memory and data storage; radiation and UV dosimetry; photothermal conversion; luminescence modulation; smart sensing

(This special issue belongs to the Section Materials Chemistry)

Cannabinoids in Drug Discovery

edited by

Lakshmi Kotra

submission deadline 31 Oct 2026 | Viewed by 225 | Submission Open

Keywords: cannabinoids; cannabinoid receptors; endocannabinoid system; chemical modifications

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

Emerging Analytical Chemistry Techniques in Toxicology: Detection, Characterization, and Risk Assessment

edited by Dilek Battal

submission deadline 31 Oct 2026 | Viewed by 222 | Submission Open

Keywords: analytical toxicology; advanced analytical techniques; mass spectrometry (MS); chromatographic methods; biomarker detection; toxicant identification; environmental and biological monitoring; trace-level analysis; exposure assessment; risk assessment; metabolomics in toxicology; forensic toxicology

(This special issue belongs to the Section Analytical Chemistry)

Recent Advances in Water-in-Salt (WiS) Electrolytes: Properties and Applications

edited by Horacio R. Corti

submission deadline 31 Oct 2026 | Viewed by 218 | Submission Open

Keywords: water-in-Salt; electrolytes; lithium; batteries; supercapacitors; nanostructure

(This special issue belongs to the Section Physical Chemistry)

The Applications of Lignin-Based Functional Materials

edited by Marta Goliszek-Chabros

submission deadline 31 Oct 2026 | Viewed by 216 | Submission Open

Keywords: lignin; modification; fractionation; polymer; green chemistry; sustainability

(This special issue belongs to the Section Green Chemistry)

Proteomics in Autoimmune Disorders: From Immune Dysregulation to Therapeutic Targets

edited by Layla Kamareddine,

Shona Pedersen

and

Gulsen Guliz Anlar

submission deadline 31 Oct 2026 | Viewed by 214 | Submission Open

Keywords: proteomics; autoimmune disorders; biomarkers; mass spectrometry; immune profiling; translational research; molecular mechanisms; precision medicine

(This special issue belongs to the Section Chemical Biology)

Advanced Flexible Sensing Materials: Design, Mechanisms, and Applications

edited by Tianxue Zhu and Lifang Liu

submission deadline 31 Oct 2026 | Viewed by 214 | Submission Open

Keywords: flexible sensing materials; polymer- and hydrogel-based sensing materials; nanocomposites for flexible sensors; stretchable and self-healing materials; scalable fabrication of flexible sensing materials; wearable and implantable devices; durability and environmental stability of sensing materials

(This special issue belongs to the Section Materials Chemistry)

Advanced Biopolymer-Based Nanocomposites: From Sustainable Design to Environmental and Biomedical Applications

edited by Şükrü Gökhan Elçi and

Aylin Altınışık Tağaç

submission deadline 31 Oct 2026 | Viewed by 213 | Submission Open

Keywords: biopolymer nanocomposites; natural fiber composites; chitosan-based materials; cellulose nanostructures; surface functionalization; adsorption; environmental remediation; green synthesis; hybrid nanocomposites; sustainable materials

(This special issue belongs to the Section Nanochemistry)

Modern Chemical Bond Theory: Methodological Advances and Computational Implementation

edited by

Marco Antonio Chaer Nascimento

and Thiago Messias Cardozo

submission deadline 31 Oct 2026 | Viewed by 210 | Submission Open

Keywords: chemical bond; valence bond; weak bonding; interference analysis; NBO; EDA; AIM

(This special issue belongs to the Section Physical Chemistry)

Design, Synthesis and Biological Evaluation of Dual-Target Inhibitors

edited by

Vera L. M. Silva

submission deadline 31 Oct 2026 | Viewed by 205 | Submission Open

Keywords: dual-target inhibitors; medicinal chemistry; rational drug design; chemical synthesis; computational drug discovery; molecular docking; pharmacokinetics; drug resistance; biological evaluation; targeted therapy

(This special issue belongs to the Section Medicinal Chemistry)

Next-Generation Biocatalysis in Organic Synthesis: Cascades and Hybrid Catalysis for High-Value Molecules

edited by Rodrigo Octávio Mendonça Alves de Souza

submission deadline 31 Oct 2026 | Viewed by 204 | Submission Open

Keywords: biocatalysis; chemoenzymatic synthesis; enzyme cascades; multi-enzymatic cascades; one-pot synthesis; chemoenzymatic cascades; photobiocatalysis; electrobiocatalysis; cofactor regeneration

(This special issue belongs to the Section Organic Chemistry)

Energy Materials: Preparation and Application in Electrochemical Energy Storage

edited by Lina Chen

submission deadline 31 Oct 2026 | Viewed by 203 | Submission Open

Keywords: battery; energy materials; energy conversion; electrochemical energy storage; material preparation; renewable energy; novel electrode materials; sustainable materials

(This special issue belongs to the Section Applied Chemistry)

Chemical Approaches for Nanoplastic Removal: Mechanisms, Materials and Technologies

edited by Maocai Shen and

Wenjun Wang

submission deadline 31 Oct 2026 | Viewed by 200 | Submission Open

Keywords: nanoplastics; chemical methods; photocatalysis adsorption; nanoenzyme catalysis; magnetic separation; enzymatic depolymerization; fenton-like technology

(This special issue belongs to the Section Green Chemistry)

Research on Photocatalytic Materials and Mechanisms

edited by

Yanrong Zhang

submission deadline 31 Oct 2026 | Viewed by 199 | Submission Open

Keywords: photocatalysis; semiconductor photocatalysts; heterojunctions; CO2 photoreduction; water splitting; photocatalytic synthesis; environmental remediation; charge carrier dynamics; DFT calculations; visible-light photocatalysis; reaction mechanisms

(This special issue belongs to the Section Photochemistry)

Volatile Compounds: Analysis and Contribution to Food Flavor/Off-Flavor

edited by Zehra Güler

submission deadline 31 Oct 2026 | Viewed by 199 | Submission Open

Keywords: volatile compound determination; food flavor and off-flavor; food processing; gas chromatography-mass spectrometry; solid-phase microextraction; food authentication; sensory quality

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

Regulatory Mechanisms and Applications of Dietary Functional Components in Metabolic Health

edited by

Chunxiu Lin

and

Liqing Zhao

submission deadline 31 Oct 2026 | Viewed by 199 | Submission Open

Keywords: dietary functional components; bioactive compounds; metabolic health; molecular mechanisms; gut microbiota; oxidative stress and inflammation; obesity and type 2 diabetes; lipid and glucose metabolism; functional foods; bioavailability

(This special issue belongs to the Section Food Chemistry)

Design, Synthesis and Evaluation of Antimicrobial Agents for Emerging Pathogens

edited by

Dustin Duncan

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

Keywords: bacteria; chemical biology; drug discovery; emerging pathogens; fungi; mechanism of interest; natural products; protists; synthesis; viruses

(This special issue belongs to the Section Medicinal Chemistry)

Computational Design of Photocatalysts and Electrocatalysts

edited by Büşra Dereli

submission deadline 31 Oct 2026 | Viewed by 191 | Submission Open

Keywords: density functional theory (DFT); photocatalysis; electrocatalysis; reaction mechanisms; catalyst design

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

Functional Nanozymes: Design, Catalytic Mechanisms, and Bioanalytical Applications

edited by

Boggavarapu Kiran

and

Janak Paudyal

submission deadline 31 Oct 2026 | Viewed by 190 | Submission Open

Keywords: nanozymes; catalytic mechanisms; biosensing; biomedical diagnostics; bioimaging; biomarker detection; nanomaterials; hybrid nanozymes; point-of-care diagnostics

(This special issue belongs to the Section Nanochemistry)

Functional Hydrogels: Design, Synthesis, and Applications

edited by

Ying Pei

submission deadline 31 Oct 2026 | Viewed by 189 | Submission Open

Keywords: functional hydrogels; drug delivery; stimuli-responsive; structure–property; conductive; self-healing; nanocomposite; synthesis; design; tissue engineering

(This special issue belongs to the Section Materials Chemistry)

Tailoring Carbon-Based Materials from Lignocellulosic Waste: Synthesis, Characterization, and High-End Applications

edited by

Grace F. Ghesti

submission deadline 31 Oct 2026 | Viewed by 185 | Submission Open

Keywords: waste to energy; waste to biomaterials; circular economy; biorefinery

(This special issue belongs to the Section Materials Chemistry)

Advances in SERS and Vibrational Spectroscopy: Chemometric Approaches for Bioanalytical and Environmental Applications

edited by

Stefano Fornasaro

submission deadline 31 Oct 2026 | Viewed by 173 | Submission Open

Keywords: surface-enhanced Raman scattering (SERS); vibrational spectroscopy; chemometrics; machine learning; bioanalytical applications; environmental analysis; biomolecule and biofluid detection; pathogen identification; pollutant and pesticide monitoring; spectral data analysis

(This special issue belongs to the Section Analytical Chemistry)

Synthesis of Functional (Nano)Material and Applications in Catalysis & Energy Storage

edited by Yongxiao Tuo and Jun Zhang

submission deadline 31 Oct 2026 | Viewed by 172 | Submission Open

Keywords: functional nanomaterials; heterogeneous catalysis; electrochemical energy storage; sustainable synthesis; advanced composites

(This special issue belongs to the Section Materials Chemistry)

Multiscale Computational Studies on Amphiphilic Systems

edited by

Heng Zhang

and Shiling Yuan

submission deadline 31 Oct 2026 | Viewed by 166 | Submission Open

Keywords: multiscale simulation; molecular dynamics; quantum mechanics; amphiphilic; colloids; interfaces

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

Biosynthesis, Metabolism, and Biological Activities of Secondary Metabolites

edited by Changhao Zhang

submission deadline 31 Oct 2026 | Viewed by 156 | Submission Open

Keywords: secondary metabolites; biosynthesis; metabolic regulation; bioactivity; molecular mechanism; chemical characterization

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

Recent Advances in MOFs: Synthesis, Characterization, and Applications

edited by Jiangtao Jia

submission deadline 31 Oct 2026 | Viewed by 154 | Submission Open

Keywords: metal–organic frameworks; controllable synthesis; advanced characterization; structure-property relationship; functional applications

(This special issue belongs to the Section Materials Chemistry)

Animal and Plant Protein Hydrolysates: Novel Functions and Food Applications

edited by

Mustafa Yaman

and

Hatice Bekiroglu

submission deadline 31 Oct 2026 | Viewed by 126 | Submission Open

Keywords: protein hydrolysates; bioactive peptides; peptide sequencing; peptide characterization; molecular mechanisms; structure–activity relationship; functional foods; techno-functional properties; enzymatic hydrolysis; microbial fermentation; fermentation-assisted hydrolysis; plant-based proteins; nutraceutical ingredients; sustainable food innovation

(This special issue belongs to the Section Food Chemistry)

Functional Metal-Based Composite Coatings and Films: Synthesis and Applications

edited by

Harun Gül

and

Mehmet Uysal

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

Keywords: functional materials; corrosion and wear resistance; multi-alloy coatings; electroless coating; vapor deposition (PVD/CVD); nanocomposite materials; electrodeposition

(This special issue belongs to the Section Materials Chemistry)

Natural Antioxidants in Food and Human Health

edited by

Adriano Costa de Camargo

submission deadline 1 Nov 2026 | 2 articles | Viewed by 1330 | Submission Open

Keywords: natural antioxidants; plant bioactive compounds; oxidative stress; lipid oxidation; antioxidant mechanisms; food quality

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

Chemobrain and Polyphenols: Mechanism and Therapeutic Perspective

edited by

Manuela Leri

and

Monica Bucciantini

submission deadline 1 Nov 2026 | 1 articles | Viewed by 885 | Submission Open

Keywords: oxidative stress; neuroinflammation; mitochondrial dysfunction; phenolic compounds; flavonoids; lignans; phytoestrogens; structure–activity relationships (SAR)

(This special issue belongs to the Section Medicinal Chemistry)

Recent Advances in Marine-Derived Nanomaterials for Cancer Therapy

edited by

Susana C. M. Fernandes

and

Seyed Hesamoddin Bidooki

submission deadline 1 Nov 2026 | Viewed by 213 | Submission Open

Keywords: marine-derived nanomaterials; nanomedicine; cancer nanotherapeutics; targeted cancer therapy; marine natural products; theranostic nanoplatforms; anticancer drug delivery systems; tumor microenvironment targeting; nanotoxicology

(This special issue belongs to the Section Nanochemistry)

Plant-Based Green Synthesis of Nanoparticles and Their Bioactivity Study

edited by

Yougasphree Naidoo

and

Clarissa Naidoo

submission deadline 6 Nov 2026 | 2 articles | Viewed by 1315 | Submission Open

Keywords: green nanotechnology; plant-mediated nanoparticle synthesis; medicinal plants; phytochemicals; nanoparticle characterization; metabolomics; structure–activity relationships; bioactivity-driven nanomaterials; antimicrobial and antiviral nanoparticles; dermo-cosmetic and biomedical applications

(This special issue belongs to the Section Green Chemistry)

Chemical Composition and Bioactivities of Essential Oils, 3rd Edition

edited by

Manuela Labbozzetta

submission deadline 10 Nov 2026 | 13 articles | Viewed by 19187 | Submission Open

Keywords: bioactive natural compounds; essential oils; chemical characterization; the essential oil mechanism of action; biological activities in vitro and in vivo; antitumor; antimicrobials; antioxidant; EO delivery strategies

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

Exploring the Antioxidant Activity of Natural Extracts: New Findings and Potential Food- and Non-Food-Related Applications

edited by

Victoria V. Volkis

submission deadline 15 Nov 2026 | 7 articles | Viewed by 14217 | Submission Open

Keywords: natural antioxidants; superfruits; specialty crops; polyphenols; flavonoids; tannins; anthocyanins; carotenoids; vitamins; phytochemistry; extraction techniques; processing; functional food; sustainable technology; technical applications; antifouling; obesity; inflammation; diabetes; cosmetics; pharmaceuticals; environmental protection; material science; radical scavenging; nutraceuticals

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

Metal Complexes and Their Medicinal Applications

edited by

Hanna Lewandowska

submission deadline 15 Nov 2026 | 2 articles | Viewed by 4972 | Submission Open

Keywords: metal complexes; medicinal chemistry; anticancer agents; antimicrobial activity; diagnostic imaging; therapeutic design; coordination chemistry; supplements; clinical dietetics

(This special issue belongs to the Section Medicinal Chemistry)

Trends of Drug Synthesis in Medicinal Chemistry

edited by

Cheng-Hua Jin

submission deadline 15 Nov 2026 | 3 articles | Viewed by 4352 | Submission Open

Keywords: drug synthesis; anticancer agents; antimicrobial resistance; green chemistry; AI-driven design; targeted delivery systems; continuous-flow technology; structure–activity optimization; multidisciplinary collaboration

(This special issue belongs to the Section Medicinal Chemistry)

Innovations and Breakthroughs in Bifunctional Molecules

edited by

Xiaoli Xu

submission deadline 15 Nov 2026 | 1 articles | Viewed by 4123 | Submission Open

Keywords: bifunctional molecules; PROTAC; molecular glues; LYTAC; AUTAC; RIBOTAC

(This special issue belongs to the Section Medicinal Chemistry)

Role of Natural Products in Inflammation, 2nd Edition

edited by

Katarína Bauerová

submission deadline 15 Nov 2026 | 3 articles | Viewed by 2680 | Submission Open

Keywords: inflammation; natural compounds; terrestrial plants; marine plants; NF-kappaB; hemoxygenase and cyclooxygenase pathways

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

Medicinal Value of Natural Bioactive Compounds and Plant Extracts, 4th Edition

edited by

Magdalena Wojciak-Kosior

Marcin Feldo

and

Ireneusz Sowa

submission deadline 15 Nov 2026 | 3 articles | Viewed by 1529 | Submission Open

Keywords: secondary plant metabolites; plant extracts; biological activity; polyphenols; alkaloids; cosmetology; ethnopharmacology; isolation and structure elucidation of plant metabolites

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

Chemistry of Nucleic Acids: From Structure to Biological Interactions, Second Edition

edited by

Claudia Riccardi

and Federica D'Aria

submission deadline 15 Nov 2026 | 1 articles | Viewed by 1306 | Submission Open

Keywords: nucleic acid structures and functions; modified nucleic acids; nucleic acid-targeting ligands; physicochemical studies of nucleic acids; thermodynamics and kinetics of nucleic acid structures; structure–function relationship of nucleic acids; nucleic acid–protein interactions; aptamers

(This special issue belongs to the Section Chemical Biology)

Future Edible Oils: Green Extraction, Analytical Techniques and Food Industry Applications

edited by

Ying Li

and Anne Sylvie Fabiano-Tixier

submission deadline 15 Nov 2026 | 1 articles | Viewed by 1151 | Submission Open

Keywords: edible oils; green extraction; sustainable processing; analytical techniques; functional lipids; circular bioeconomy

(This special issue belongs to the Section Green Chemistry)

Synthesis, Reaction Mechanism and Application of Photocatalysts

edited by

Víctor Hugo Castrejón-Sánchez

submission deadline 15 Nov 2026 | 1 articles | Viewed by 997 | Submission Open

Keywords: photocatalysis; material synthesis; reaction mechanism; pollutant degradation; solar fuels; heterostructures; renewable energy; sustainable catalysis; semiconductors; water purification

(This special issue belongs to the Section Photochemistry)

Advances in Antibacterial and Antifungal Peptide-Based Agents

edited by

Ewa Ciszkowicz

and

Aleksandra Bocian

submission deadline 15 Nov 2026 | Viewed by 402 | Submission Open

Keywords: antimicrobial compounds; antifungal compounds; natural products; synthetic compounds; novel antibiotics; antifungal and antimicrobial drugs; antimicrobial peptides (AMPs)

(This special issue belongs to the Section Medicinal Chemistry)

Multicomponent Reactions for the Synthesis of Bioactive Heterocyclic Hybrids

edited by

Carlos J. Cortes-García

and Luis Chacón

submission deadline 15 Nov 2026 | Viewed by 314 | Submission Open

Keywords: multicomponent reactions; one-pot reactions; molecular hybridization; bioactive heterocycles; drug discovery; medicinal chemistry

(This special issue belongs to the Section Organic Chemistry)

Active Food Packaging Materials: From Physical–Chemical Interactions to Preservation

edited by

Marcia Regina de Moura Aouada

and Ana María Chaux-Gutiérrez

submission deadline 15 Nov 2026 | Viewed by 239 | Submission Open

Keywords: bioactive compounds; shelf-life; essential oil; biopolymer; nanoemulsion; hydrogels; controlled release; antioxidant activity; antimicrobial activity; nanoparticles; nanocomposites

(This special issue belongs to the Section Materials Chemistry)

Advanced Chemical Strategies for Sustainable Environmental Remediation and Resource Recovery

edited by Martín Muñoz-Morales

submission deadline 16 Nov 2026 | 1 articles | Viewed by 841 | Submission Open

Keywords: environmental remediation; biowaste valorization; catalysts; thermal treatments; sustainability; biorefinery; heavy metals

(This special issue belongs to the Section Green Chemistry)

Displaying special issue 451-500 on page 10 of 27.

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