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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 Chemical Research on Biomarkers—Experimental and Computational Approaches

edited by

Huixiao Hong

submission deadline 31 Oct 2026 | 1 articles | Viewed by 735 | Submission Open

Keywords: computational toxicology; QSAR modeling; machine learning; predictive toxicology; chemical risk assessment; in silico modeling

(This special issue belongs to the Section Chemical Biology)

Research Progress of Gemini Surfactants

edited by Iwona Kowalczyk and

Bogumil E. Brycki

submission deadline 31 Oct 2026 | 1 articles | Viewed by 730 | Submission Open

Keywords: gemini surfactants; biological activity; physicochemical analysis; smart material

(This special issue belongs to the Section Applied Chemistry)

Advances in Nanoscale Drug Delivery Technologies and Theranostics

edited by

Anne-Marie Caminade

and Valérie Maraval

submission deadline 31 Oct 2026 | 1 articles | Viewed by 724 | Submission Open

Keywords: drug delivery; theranostics; nanoparticles; dendrimers; nanovesicle; nanomicelles; polymers; nanomaterials

(This special issue belongs to the Section Nanochemistry)

Advanced Analytical Methods for Water Contaminant Detection

edited by

Vitor Cardoso

and

Cristina Almeida

submission deadline 31 Oct 2026 | 1 articles | Viewed by 712 | Submission Open

Keywords: water; contaminants; advanced analytical techniques; emerging pollutants; mass spectrometry; non-target screening; biosensors; chemical sensors; water quality monitoring

(This special issue belongs to the Section Analytical Chemistry)

Pharmacological Activity of Natural Bioactive Compounds for Better Human Health

edited by

Ilia Slavov

and

Kaloyan Georgiev

submission deadline 31 Oct 2026 | 1 articles | Viewed by 694 | Submission Open

Keywords: natural products; pharmacologically active substances; chemical analysis; therapeutic effects; molecular mechanisms

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

Starch: Chemistry, Technology, and Application—2nd Edition

edited by

Xu Lu

submission deadline 31 Oct 2026 | 1 articles | Viewed by 593 | Submission Open

Keywords: starch modification; starch complexes; resistant starch; digestibility; precision nutrition; green technology; structure–function relationship

(This special issue belongs to the Section Food Chemistry)

New Trends in Graphene Nanomaterials

edited by

Łukasz Kołodziejczyk

submission deadline 31 Oct 2026 | 1 articles | Viewed by 586 | Submission Open

Keywords: graphene; graphene-based nanomaterials; 2D; functionalization; synthesis methods; hybrid nanostructures; energy storage; catalysis

(This special issue belongs to the Section Materials Chemistry)

Study of Quadruplex Nucleic Acids and Beyond

edited by

Yan Xu

submission deadline 31 Oct 2026 | Viewed by 547 | Submission Open

Keywords: G-quadruplexes (G4s); i-Motifs; Z-DNA/RNA; triplex DNA; cruciforms; hairpins; chemical probes; nanomaterials; biosensors

Design and Synthesis of Organic Molecules as Antineoplastic Agents, 3rd Edition

edited by

Carla Boga

and

Gabriele Micheletti

submission deadline 31 Oct 2026 | 1 articles | Viewed by 490 | Submission Open

Keywords: organic compounds; organic synthesis; biological activity; biochemistry; antineoplastic; cancer; drug design; medicinal chemistry

(This special issue belongs to the Section Organic Chemistry)

Functional Coatings and Membranes: Design, Properties and Applications

edited by

Guiyong Xiao

submission deadline 31 Oct 2026 | 1 articles | Viewed by 438 | Submission Open

Keywords: surface modification; micro/nano structure; coating; membranes; functional design

(This special issue belongs to the Section Materials Chemistry)

Recent Advances in Radical Chemistry

edited by

Jia-Rong Chen

and Ying Cheng

submission deadline 31 Oct 2026 | Viewed by 400 | Submission Open

Keywords: radical chemistry; radical cross-coupling; photocatalysis; electrochemical synthesis; transition metal catalysis

(This special issue belongs to the Section Organic Chemistry)

Bioactive Phenolic and Polyphenolic Compounds, 4th Edition

edited by

Cristina Forzato

and

Federico Berti

submission deadline 31 Oct 2026 | Viewed by 397 | Submission Open

Keywords: food chemistry; natural products; antioxidants; polyphenols; chromatography; spectroscopy; mass spectrometry; extraction; biological activity; sensors

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

Analytical Chemistry: A Themed Issue in Honor of the Contributions of Professor Victoria Samanidou

edited by

Abuzar Kabir

and

Irene Panderi

submission deadline 31 Oct 2026 | Viewed by 394 | Submission Open

Keywords: analytical chemistry; separation science; sorbent materials; molecular recognition; sorptive extraction; microextraction; chromatography; hyphenated techniques; LC-MS/HRMS; green analytical chemistry; green sample preparation; metric tools

(This special issue belongs to the Section Analytical Chemistry)

Computational and Experimental Research on Materials for Environmental Applications

edited by

Sanja J. Armakovic

, Stevan Armaković and

Maria M. Savanović

submission deadline 31 Oct 2026 | Viewed by 394 | Submission Open

Keywords: environmental materials; DFT and MD simulations; wavefunction-based calculations; computational modeling; machine learning in materials science; data-driven materials design; environmental remediation; pollutant removal; nanomaterials; composite materials; hybrid computational–experimental studies

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

Chemical Identification and Biological Activity of Plant Phenolic Compounds

edited by Oscar Forero-Doria and

Christina Mitsi

submission deadline 31 Oct 2026 | Viewed by 393 | Submission Open

Keywords: plant phenolics; separation science; spectroscopy; hyphenated techniques; metabolomics; structure elucidation; bioactivity; quality control

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

Green Extraction, Characterization, and Biological Potential of Natural Phytochemicals

edited by Gustavo Castillo-Herrera

submission deadline 31 Oct 2026 | Viewed by 383 | Submission Open

Keywords: green extraction; chemical characterization; phytochemicals; bioactivity

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

Synthesis of Biologically Active Steroids

edited by

Vladimir N. Zhabinskii

submission deadline 31 Oct 2026 | Viewed by 372 | Submission Open

Keywords: synthesis; mechanisms; steroids; chemical structure; activity; cytotoxicity

(This special issue belongs to the Section Medicinal Chemistry)

Current Trends in Plant Phytochemicals: Analysis and Biological Activities

edited by

Nesibe Ebru Kafkas

and

Karla Ramirez-Estrada

submission deadline 31 Oct 2026 | Viewed by 359 | Submission Open

Keywords: phytochemicals; secondary metabolites; analytical techniques; plant metabolomics; nutraceuticals; bioactive compounds; medicinal plants; fruits; vegetables; field crops; ornamentals

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

Computational Catalysis: Mechanisms and Design

edited by

Xinglong Zhang

submission deadline 31 Oct 2026 | Viewed by 358 | Submission Open

Keywords: computational catalysis; reaction mechanisms; catalyst design; density functional theory; structure–activity relationships; homogeneous catalysis; heterogeneous catalysis; machine learning

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

Photobiology: Bioactive Compounds of Plants in Response to Light Conditions

edited by

Marina DellaGreca

and

Maria Michela Salvatore

submission deadline 31 Oct 2026 | Viewed by 354 | Submission Open

Keywords: light-dependent reactions; photoprotective substances; bioactive compounds; natural product engineering tool; response to light conditions

(This special issue belongs to the Section Photochemistry)

Material Synthesis and Green Catalysis: Innovations for Sustainable Chemistry

edited by Weiwei Guo and

Lu Lu

submission deadline 31 Oct 2026 | Viewed by 346 | Submission Open

Keywords: sustainable catalysis; renewable energy; materials design; green chemistry; catalysis

(This special issue belongs to the Section Nanochemistry)

Latest Review on Cyclizations and Ring-Opening Reactions in Organic Chemistry

edited by

Gianfranco Favi

submission deadline 31 Oct 2026 | Viewed by 335 | Submission Open

Keywords: annulation reaction; polar and radical cyclization; carbo and heterocyclic formation; ring-opening transformation; chemical bond formation and cleavage; complex molecular architectures

(This special issue belongs to the Section Organic Chemistry)

Spectroscopic and Spectrometric Techniques for Structural Analysis, 2nd Edition

edited by

Nives Galić

and

David Klarić

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

Keywords: NMR spectroscopy; mass spectrometry; vibrational spectroscopy; UV-Vis spectroscopy; spectrofluorimetry; EPR spectroscopy; structural analysis

(This special issue belongs to the Section Analytical Chemistry)

Featured Review in Wine Chemistry

edited by

Fernando M. Nunes

Fernanda Cosme

and

Luís Filipe-Ribeiro

submission deadline 31 Oct 2026 | Viewed by 331 | Submission Open

Keywords: wine chemistry; review; wine flavors; polyphenols; sensory; analytical techniques

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

Intramolecular Hydrogen Bonds

edited by

Xuefeng Wang

submission deadline 31 Oct 2026 | Viewed by 327 | Submission Open

Keywords: intramolecular hydrogen bonds; intramolecular proton transfer; charge-assisted hydrogen bonding; molecular conformation; supramolecular chemistry

(This special issue belongs to the Section Physical Chemistry)

Exploration of Organometallic Materials and Beyond for Sustainable Energy Applications

edited by

Zhen Zhang

and

Miao Zhang

submission deadline 31 Oct 2026 | Viewed by 326 | Submission Open

Keywords: metal complex; metallated polymer; organometallic materials; non-fullerene acceptor; triplet exciton; charge transfer; organic optoelectronic devices; organic photovoltaics; thick-film solar cell

(This special issue belongs to the Section Materials Chemistry)

Green Chemical and Intelligent Method for Lithium-Ion Battery Recycling

edited by

Muammer Kaya

submission deadline 31 Oct 2026 | Viewed by 319 | Submission Open

Keywords: LIB; e-waste; battery recycling; critical metals; black mass; cathode active material; automated sorting; hydrometallurgy; pyrometallurgy; direct recycling; bioleaching; green chemistry; discharge; dismantle; circular economy; sustainability; closed-loop recycling

(This special issue belongs to the Section Green Chemistry)

Synthesis, Characterization, and Catalytic Applications of Transition Metal Complexes

edited by Daniel Mendoza Espinosa

submission deadline 31 Oct 2026 | Viewed by 314 | Submission Open

Keywords: transition metal complexes; homogeneous catalysis; heterogeneous catalysis; catalytic cycles; organic synthesis; selectivity; efficiency; sustainability

(This special issue belongs to the Section Organometallic Chemistry)

Anti-Infective, Anti-Inflammatory, and Antiviral Activities of Natural Extracts

edited by

Luciana Scotti

and

Thalisson Amorim De Souza

submission deadline 31 Oct 2026 | Viewed by 311 | Submission Open

Keywords: natural products; natural extracts; bioactive compounds; anti-infective activity; antimicrobial activity; antiviral activity; anti-inflammatory activity

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

Advances in Petroleum Thermodynamics

edited by Carlos Lira-Galeana and

David Reyes-Gonzalez

submission deadline 31 Oct 2026 | Viewed by 310 | Submission Open

Keywords: petroleum thermodynamics; CCUS fluids; properties and phase behavior; experimental and theoretical studies

(This special issue belongs to the Section Physical Chemistry)

New Insights into Biomass Catalytic Conversion

edited by

Anna Katharina Beine

submission deadline 31 Oct 2026 | Viewed by 306 | Submission Open

Keywords: biomass conversion; catalyst development; mechanistic insights; green chemistry; biorefinery

(This special issue belongs to the Section Green Chemistry)

Cyclodextrin Polymers for Environmental Applications

edited by

Dina Maria Bairrada Murtinho

and

Gianluca Utzeri

submission deadline 31 Oct 2026 | Viewed by 298 | Submission Open

Keywords: cyclodextrins; cyclodextrin derivatives; hydrogels; membranes; nanosponges; environmental remediation; agriculture; sustainability

(This special issue belongs to the Section Materials Chemistry)

Recent Advances in Green and Enzymatic Catalysis for Synthesis of Functional Molecules

edited by

Lei Wang

submission deadline 31 Oct 2026 | Viewed by 290 | Submission Open

Keywords: green catalysis; enzymatic synthesis; sustainable chemistry; biocatalysis; functional molecules

(This special issue belongs to the Section Bioorganic Chemistry)

Natural Bioactive Compounds from Fruits, Herbs, and Vegetables as Health Promoters—Second Edition

edited by

Inga Kwiecien

and

Agnieszka Szewczyk

submission deadline 31 Oct 2026 | Viewed by 286 | Submission Open

Keywords: natural products; bioactive effects; structure-bioactivity relations; in vitro methods; in vivo tests; health benefits

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

Chemical Mechanisms and Applications of Plasma Technology in Environmental and Biomedical Sciences

edited by

Dehui Xu

submission deadline 31 Oct 2026 | Viewed by 284 | Submission Open

Keywords: cold atmospheric plasma (CAP); environmental pollution; formaldehyde degradation; reactive oxygen species (ROS); reactive nitrogen species (RNS); cancer therapy; wound healing; plasma-induced apoptosis; advanced oxidation

(This special issue belongs to the Section Applied Chemistry)

Research Progress of New Antimicrobial Drugs—2nd Edition

edited by

Monika Wujec

Urszula Kosikowska

and

Sylwia Andrzejczuk

submission deadline 31 Oct 2026 | Viewed by 282 | Submission Open

Keywords: synthesis of new antimicrobials; bioactive compounds; antimicrobial derivatives; synthetic and natural compounds; pathogens and opportunistic microbes; prevention and treatment; antibiofilm; discovery of antimicrobials

(This special issue belongs to the Section Medicinal Chemistry)

Advanced Materials and Chemical Technologies for Solid Waste Resource Recycling

edited by Zehua Ji and Yang Chen

submission deadline 31 Oct 2026 | Viewed by 278 | Submission Open

Keywords: heavy metals; non-ferrous metals; adsorption; separation and purification; coagulation; spent catalyst; recovery; removal; advanced oxidation process; catalysis; battery materials; new energy materials

(This special issue belongs to the Section Green Chemistry)

Green Extraction and Valorization of Bioactive Compounds from Agri-Food Resources

edited by

Elena Arranz

and Maria De Las Nieves Siles-Sanchez

submission deadline 31 Oct 2026 | Viewed by 274 | Submission Open

Keywords: green extraction; agri-food resources; biological activity; bioactive compounds; valorization

(This special issue belongs to the Section Green Chemistry)

Featured Reviews on Bioactive Flavour and Fragrance Compounds, 2nd Edition

edited by

Riccardo Petrelli

submission deadline 31 Oct 2026 | Viewed by 270 | Submission Open

Keywords: essential oils; agriculture; food; formulations; crop protection; insecticides; extraction techniques; chemical characterization; biological activity

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

New Research on Novel Photo-/Electrochemical Materials—2nd Edition

edited by

Liangliang Feng

and

Yipu Liu

submission deadline 31 Oct 2026 | Viewed by 268 | Submission Open

Keywords: photo-/electrochemistry; water splitting; fuel cell; zinc air battery; nitrogen reduction reaction; CO2 reduction reaction; photocatalytic degradation; gas sensor

(This special issue belongs to the Section Materials Chemistry)

Trends in Biosensors for Biomedical Applications

edited by

Magdalena Stobiecka

and

Katarzyna Ratajczak

submission deadline 31 Oct 2026 | Viewed by 263 | Submission Open

Keywords: optical biosensors (SPR, SERS, fluorescence, colorimetric); electrochemical biosensors; nanogravimetric biosensors; immunosensors; DNA-based biosensors; aptamer-based biosensors; exosomal biomarkers; enzymatic-biosensors

(This special issue belongs to the Section Chemical Biology)

Electrochemical Sensors Modified with Nanomaterials

edited by

Giovanni Neri

and

Simona Crispi

submission deadline 31 Oct 2026 | Viewed by 262 | Submission Open

Keywords: electrochemical sensors; nanomaterials; nanostructured electrodes; carbon-based nanomaterials (graphene, CNTs, CDs); metal and metal oxide nanoparticles; quantum dots; sensor functionalization; biosensing applications; environmental monitoring; advanced analytical technologies

(This special issue belongs to the Section Electrochemistry)

Infrared Spectroscopy for Molecular Structure and Dynamics

edited by

Jianping Wang

submission deadline 31 Oct 2026 | Viewed by 258 | Submission Open

Keywords: vibrational dynamics; ATR; surface-enhanced IR; 2D IR; SFG; time-resolved IR; molecular dynamics

(This special issue belongs to the Section Molecular Structure)

Functional Materials and Chemical Technologies for Sustainable Water Treatment

edited by

Marija M. Vuksanović

and

Andrija Savić

submission deadline 31 Oct 2026 | Viewed by 256 | Submission Open

Keywords: water purification; separation processes; functional materials; environmental applications; adsorption; materials characterization; sustainable water treatment technologies

(This special issue belongs to the Section Green Chemistry)

Natural Extracts: Impact on Metabolic Diseases

edited by

Rosa Martha Pérez-Gutiérrez

and

Alethia Muñiz-Ramirez

submission deadline 31 Oct 2026 | Viewed by 255 | Submission Open

Keywords: natural extracts; secondary metabolites; phytochemical characterization; structure–activity relationships; metabolomics; green synthesis; biopolymers; nanoformulations; drug delivery systems; metabolic diseases

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

Review Papers on Molecular Dynamics Simulations

edited by Abdulkadir Koçak and

Ricardo L. Mancera

submission deadline 31 Oct 2026 | Viewed by 254 | Submission Open

Keywords: molecular dynamics simulations; free energy calculations; machine learning; neural network potentials; binding free energy; solvation free energy; non-covalent interactions; enhanced sampling

(This special issue belongs to the Section Physical Chemistry)

Green Analytical Methods for Halogen Determination

edited by

Paola A. Mello

and Marcia Foster Mesko

submission deadline 31 Oct 2026 | Viewed by 252 | Submission Open

Keywords: halogens; fluorine; chlorine; bromine; iodine; sample preparation; atomic spectrometry; mass spectrometry; sample preparation; combustion; extraction; ion chromatography; green analytical chemistry; white analytical chemistry

(This special issue belongs to the Section Analytical Chemistry)

Natural Products in Biomedical Science: Innovations in Anti-Inflammatory and Antioxidant Therapy

edited by Susan L. Bonnet and Charlene Marais

submission deadline 31 Oct 2026 | Viewed by 252 | Submission Open

Keywords: natural products; medicinal plants; secondary metabolites; drug discovery; anti-inflammatory activity; antioxidant; chronic inflammation; synthesis of anti-inflammatory natural products

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

Molecular Editing Through Skeletal Transformations

edited by

Gianfranco Favi

submission deadline 31 Oct 2026 | Viewed by 246 | Submission Open

Keywords: skeletal editing; rearrangement; transmutation; ring expansion/contraction; atom swapping; atom deletion/insertion; unimolecular fragment coupling; peripheral editing

(This special issue belongs to the Section Organic Chemistry)

Photoredox Catalysis for Sustainable Chemical Synthesis/Medicinal Chemistry, 2nd Edition

edited by

Steven Bloom

submission deadline 31 Oct 2026 | Viewed by 246 | Submission Open

Keywords: visible light; photoredox catalysis; radical; medicinal chemistry; single electron transfer

(This special issue belongs to the Section Organic Chemistry)

Displaying special issue 401-450 on page 9 of 27.

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