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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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Functional Molecules and Materials for CO₂ Capture and Utilization

edited by Lijuan Shi and Shangqing Chen

submission deadline 31 Oct 2026 | 1 articles | Viewed by 848 | Submission Open

Keywords: CO2 capture; CO2 utilization; functional molecules; functional materials; adsorption and separation; thermal catalysis; electrocatalysis; photocatalysis

(This special issue belongs to the Section Materials Chemistry)

Advances in Chemical and Biochemical Technologies for Water and Wastewater Treatment

edited by

Athanasia Tekerlekopoulou

Dimitris V. Vayenas

and

Christina Vasiliki Lazaratou

submission deadline 31 Oct 2026 | 2 articles | Viewed by 837 | Submission Open

Keywords: water; wastewater; treatment; contaminant; pollutant; removal pharmaceutical; personal care product; microplastic; advanced oxidation processes; AOPs; aerobic; anaerobic; electrochemical; physicochemical; membrane

(This special issue belongs to the Section Green Chemistry)

Near-Infrared Fluorescent Materials for Biological Imaging and Sensing

edited by Daliang Li and

Maged Henary

submission deadline 31 Oct 2026 | 1 articles | Viewed by 821 | Submission Open

Keywords: near-infrared fluorescent materials; biological imaging; material design; biosensing; theranostics; disease diagnosis

(This special issue belongs to the Section Materials Chemistry)

Chemical Approaches in Food Quality and Safety

edited by

Bulent Kabak

submission deadline 31 Oct 2026 | 1 articles | Viewed by 808 | Submission Open

Keywords: food safety; analytical chemistry; contaminants; mycotoxins; pesticides; heavy metals; process contaminants; environmental contaminants; food contact materials; emerging contaminants; adulteration; dietary exposure; risk assessment; chromatographic methods; mass spectrometry; chemometrics

(This special issue belongs to the Section Food Chemistry)

Electrochemical Reduction of CO₂: From Fundamentals to Practical Catalysis

edited by Younes Abghoui

submission deadline 31 Oct 2026 | 1 articles | Viewed by 793 | Submission Open

Keywords: electrochemical CO2 reduction; eco-friendly energy resources; reaction mechanism; net-zero emissions; computational catalysis; experimental catalysis; decarbonization technology

(This special issue belongs to the Section Electrochemistry)

Computational Approaches to Reaction Mechanisms

edited by Kaveh Farshadfar

submission deadline 31 Oct 2026 | 1 articles | Viewed by 762 | Submission Open

Keywords: computational chemistry; reaction mechanisms; density functional theory; machine learning; molecular modeling; structure–reactivity relationships

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

Phytochemicals and Their Anti-Inflammatory and Antioxidant Properties

edited by

Agnieszka Nawirska-Olszańska

and

Joanna Kolniak-Ostek

submission deadline 31 Oct 2026 | 1 articles | Viewed by 758 | Submission Open

Keywords: bioactive components; plant extracts; functional food; polyphenols; carotenoids; organic acids; vitamins

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

Advances in Metal Complexes: A Themed Issue in Honor of the Contributions of Professor Heinrich Lang

edited by Frank Uhlig, Yingzhong Shen,

Rainer Winter

and Konrad Kowalski

submission deadline 31 Oct 2026 | 1 articles | Viewed by 752 | Submission Open

Keywords: metal–organic chemistry; metal clusters; mixed-valent compounds; homogeneous catalysis; materials chemistry; molecular electronics

(This special issue belongs to the Section Organometallic Chemistry)

Micro- and Nanoplastics: Fundamental Research, Environmental and Health Risks, and Mitigation Strategies

edited by

Tomasz Pańczyk

and

Marcin Cichy

submission deadline 31 Oct 2026 | 1 articles | Viewed by 744 | Submission Open

Keywords: microplastics; nanoplastics; water purification; adsorption; molecular dynamics; computational methods; density functional theory; chemical methods; photodegradation; membrane filtration; biodegradation; environmental remediation

(This special issue belongs to the Section Green Chemistry)

Forensic Chemical Analysis

edited by Štěpán Urban and

Veronika Škeříková

submission deadline 31 Oct 2026 | 1 articles | Viewed by 740 | Submission Open

Keywords: forensic chemical analysis; crime scene traces; analytical techniques; gas chromatography; liquid chromatography; spectroscopy; mass spectrometry; elemental analysis; toxic substances; gunshot residue; explosives; arson accelerants

(This special issue belongs to the Section Analytical Chemistry)

Photocatalysts: Design, Synthesis, and Applications

edited by

Jianhao Qiu

submission deadline 31 Oct 2026 | 1 articles | Viewed by 729 | Submission Open

Keywords: photocatalysis; photocatalytic degradation; H2 production; CO2 reduction; H2O2 production

(This special issue belongs to the Section Photochemistry)

Adsorption for Potential Environmental Applications

edited by

Sanda Andrada Maicaneanu

submission deadline 31 Oct 2026 | 2 articles | Viewed by 708 | Submission Open

Keywords: adsorption; synthesis; treatment; mechanism; characterization; wastewater treatment; air pollution control; modelling; pilot and full-scale applications; reactor design; process control

(This special issue belongs to the Section Green Chemistry)

Natural Bioactive Molecules: Discovery, Mechanisms and Applications in Health and Agriculture

edited by

Antonella Locascio

and Sergio Chevilly Tena

submission deadline 31 Oct 2026 | 1 articles | Viewed by 685 | Submission Open

Keywords: bioactive molecules; natural products; oxidative stress and cellular signaling

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

Research Progress of Gemini Surfactants

edited by Iwona Kowalczyk and

Bogumil E. Brycki

submission deadline 31 Oct 2026 | 1 articles | Viewed by 678 | Submission Open

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

(This special issue belongs to the Section Applied Chemistry)

Advances in Chemical Research on Biomarkers—Experimental and Computational Approaches

edited by

Huixiao Hong

submission deadline 31 Oct 2026 | 1 articles | Viewed by 667 | 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)

Advanced Analytical Methods for Water Contaminant Detection

edited by

Vitor Cardoso

and

Cristina Almeida

submission deadline 31 Oct 2026 | 1 articles | Viewed by 655 | 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 638 | Submission Open

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

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

New Trends in Graphene Nanomaterials

edited by

Łukasz Kołodziejczyk

submission deadline 31 Oct 2026 | 1 articles | Viewed by 563 | 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 527 | 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 399 | 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)

Advances in Nanoscale Drug Delivery Technologies and Theranostics

edited by

Anne-Marie Caminade

and Valérie Maraval

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

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

(This special issue belongs to the Section Nanochemistry)

Recent Advances in Radical Chemistry

edited by

Jia-Rong Chen

and Ying Cheng

submission deadline 31 Oct 2026 | Viewed by 387 | Submission Open

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

(This special issue belongs to the Section Organic 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 385 | 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 375 | 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)

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 374 | 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)

Green Extraction, Characterization, and Biological Potential of Natural Phytochemicals

edited by Gustavo Castillo-Herrera

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

Keywords: green extraction; chemical characterization; phytochemicals; bioactivity

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

Bioactive Phenolic and Polyphenolic Compounds, 4th Edition

edited by

Cristina Forzato

and

Federico Berti

submission deadline 31 Oct 2026 | Viewed by 369 | 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)

Computational Catalysis: Mechanisms and Design

edited by

Xinglong Zhang

submission deadline 31 Oct 2026 | Viewed by 349 | 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)

Synthesis of Biologically Active Steroids

edited by

Vladimir N. Zhabinskii

submission deadline 31 Oct 2026 | Viewed by 343 | 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 341 | 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)

Material Synthesis and Green Catalysis: Innovations for Sustainable Chemistry

edited by Weiwei Guo and

Lu Lu

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

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

(This special issue belongs to the Section Nanochemistry)

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 332 | 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)

Recent Progress in the Field of Sulfur and Selenium Organic Chemistry

edited by Ewa Dresler and

Magdalena Ciechańska

submission deadline 31 Oct 2026 | Viewed by 330 | Submission Open

Keywords: organosulfur; organoselenium; synthesis; organic chemistry

(This special issue belongs to the Section Organic 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 320 | 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)

Spectroscopic and Spectrometric Techniques for Structural Analysis, 2nd Edition

edited by

Nives Galić

and

David Klarić

submission deadline 31 Oct 2026 | Viewed by 320 | 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)

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

edited by

Gianfranco Favi

submission deadline 31 Oct 2026 | Viewed by 315 | 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)

Green Chemical and Intelligent Method for Lithium-Ion Battery Recycling

edited by

Muammer Kaya

submission deadline 31 Oct 2026 | Viewed by 308 | 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)

Intramolecular Hydrogen Bonds

edited by

Xuefeng Wang

submission deadline 31 Oct 2026 | Viewed by 307 | 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)

Featured Review in Wine Chemistry

edited by

Fernando M. Nunes

Fernanda Cosme

and

Luís Filipe-Ribeiro

submission deadline 31 Oct 2026 | Viewed by 304 | Submission Open

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

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

Advances in Petroleum Thermodynamics

edited by Carlos Lira-Galeana and

David Reyes-Gonzalez

submission deadline 31 Oct 2026 | Viewed by 301 | Submission Open

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

(This special issue belongs to the Section Physical Chemistry)

Synthesis, Characterization, and Catalytic Applications of Transition Metal Complexes

edited by Daniel Mendoza Espinosa

submission deadline 31 Oct 2026 | Viewed by 297 | 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 293 | 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)

New Insights into Biomass Catalytic Conversion

edited by

Anna Katharina Beine

submission deadline 31 Oct 2026 | Viewed by 291 | 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 282 | Submission Open

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

(This special issue belongs to the Section Materials Chemistry)

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

edited by

Dehui Xu

submission deadline 31 Oct 2026 | Viewed by 277 | 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)

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 270 | 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)

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 266 | Submission Open

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

(This special issue belongs to the Section Green Chemistry)

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

edited by

Lei Wang

submission deadline 31 Oct 2026 | Viewed by 265 | Submission Open

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

(This special issue belongs to the Section Bioorganic Chemistry)

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

edited by

Xu Lu

submission deadline 31 Oct 2026 | Viewed by 262 | 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 Research on Novel Photo-/Electrochemical Materials—2nd Edition

edited by

Liangliang Feng

and

Yipu Liu

submission deadline 31 Oct 2026 | Viewed by 259 | 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)

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