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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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Plant-Based Food Chemistry: Composition, Technological and Functional Quality

edited by

Ana Novo Barros

and

Katarzyna Sujka

submission deadline 31 Oct 2026 | 3 articles | Viewed by 2528 | Submission Open

Keywords: plant-based food; food chemistry; food processing; bioactive compounds; chemical composition; structural characterization

(This special issue belongs to the Section Food Chemistry)

Development of Food Packaging Materials, 2nd Edition

edited by

Michael Kontominas

submission deadline 31 Oct 2026 | 2 articles | Viewed by 2525 | Submission Open

Keywords: plastics, glass, metals, paper/paperboard; biodegradable materials; recyclable materials; active and Intelligent materials; nanomaterials in packaging

(This special issue belongs to the Section Materials Chemistry)

New Perspectives on Analytical Methods in Food Products

edited by

Giovanni Caprioli

and

Gulzhan Khamitova

submission deadline 31 Oct 2026 | 2 articles | Viewed by 2414 | Submission Open

Keywords: analytical methods; food and plant analysis; chemical characterization of by-products; valorization and recovery of by-products; extraction methods; liquid chromatography–mass spectrometry; gas chromatography–mass spectrometry; spectrophotometer

(This special issue belongs to the Section Food Chemistry)

Functional Nanomaterials in Green Chemistry: Catalysis and Environmental Remediation

edited by

Carlos Bruno Barreto Luna

Zhaohui Liu

and Ingridy Dayane dos Santos Silva

submission deadline 31 Oct 2026 | 2 articles | Viewed by 2356 | Submission Open

Keywords: functional nanomaterials; green chemistry; nanocatalysis; environmental catalysts; environmental remediation; biomass conversion; heterogeneous catalysis

(This special issue belongs to the Section Green Chemistry)

Application of Bioenzyme Engineering and Enzyme Catalysis in the Food Industry

edited by

Binglin Li

, Ivan Kurtovic and

Roberto Fernandez-Lafuente

submission deadline 31 Oct 2026 | 3 articles | Viewed by 2272 | Submission Open

Keywords: enzyme; biotechnology; biocatalysis; metabolic engineering; food-grade supports; protein modification; protein design

C-H Bond Functionalization of Heterocyclic Compounds

edited by

Dong Wang

submission deadline 31 Oct 2026 | 1 articles | Viewed by 2169 | Submission Open

Keywords: heterocycles; C-H activation; transition metal catalysis; site-selectivity; sustainable synthesis; photoredox chemistry; electrochemical functionalization; biologically active molecules

(This special issue belongs to the Section Organic Chemistry)

Chemical Composition, Pharmacological and Therapeutic Activity of Plant Extracts

edited by

Jasmina Sretenovic

Jovana Bradic

and

Jovana Joksimovic Jovic

submission deadline 31 Oct 2026 | 3 articles | Viewed by 2064 | Submission Open

Keywords: plant extracts; natural product chemistry; in silico, in vitro, and in vivo studies; acute and chronic inflammation; cardiometabolic disorders; endocrine disorders; neurodegenerative disorders

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

Enzyme Catalysis: Recent Advances and Future Opportunities

edited by

Thiago Machado Pasin

and

Alex Graça Contato

submission deadline 31 Oct 2026 | 1 articles | Viewed by 1999 | Submission Open

Keywords: enzyme catalysis; protein structure; biophysical methods; enzyme engineering; computational enzymology; biocatalysis; mechanistic analysis

(This special issue belongs to the Section Bioorganic Chemistry)

Density Functional Theory (DFT): From Conceptual Developments to Practical Applications

edited by

Gerardo M. Casañola-Martin

Yoan Hidalgo-Rosa

, Manuel Treto-Suárez and

Karel Mena-Ulecia

submission deadline 31 Oct 2026 | 2 articles | Viewed by 1872 | Submission Open

Keywords: density functional theory (DFT) methods; Ab initio molecular dynamics; elucidation of detection mechanisms; electronic structure and binding energies; catalysis and photocatalysis; optical properties and excited-state dynamics; DFT benchmarking and perspectives; molecular descriptors based on density functional theory.

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

Discovering the Pharmacological and Medicinal Potentials of Plant Flavonoids and Other Polyphenols from Nature

edited by

Duangjai Tungmunnithum

submission deadline 31 Oct 2026 | 2 articles | Viewed by 1855 | Submission Open

Keywords: flavonoids; polyphenols; natural product; anti-aging; anti-oxidative stress; anti-cancer; pharmacological activity; medical application

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

Advanced Analytical Methods in Food Chemistry

edited by

Grażyna Neunert

and Katarzyna Walkowiak

submission deadline 31 Oct 2026 | 3 articles | Viewed by 1837 | Submission Open

Keywords: chromatography; mass spectrometry; spectroscopy techniques; food quality; food control; food adulteration; food allergens

(This special issue belongs to the Section Analytical Chemistry)

Sustainable Functional Coatings and Surface Engineering: Materials, Processes, and Applications

edited by

Kyueui Lee

submission deadline 31 Oct 2026 | 2 articles | Viewed by 1746 | Submission Open

Keywords: sustainable coatings; surface engineering; flame-retardant coatings; green chemistry; bioinspired materials; barrier coatings; anti-fouling; corrosion protection; multifunctional interfaces; scalable coating processes

(This special issue belongs to the Section Applied Chemistry)

Chemical Analyses and Applications of Essential Oils—2nd Edition

edited by

Francisco Les

submission deadline 31 Oct 2026 | 1 articles | Viewed by 1662 | Submission Open

Keywords: essential oils; bioactive compounds; liquid phase; vapor phase; potential applications

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

New Insights Into Porous Materials in Adsorption and Catalysis, 2nd Edition

edited by Marcia G. Ventura,

Ines Matos

and

Maria Bernardo

submission deadline 31 Oct 2026 | 2 articles | Viewed by 1649 | Submission Open

Keywords: catalysis; adsorption; environmental remediation; water and air purification; soil remediation; gas storage/upgrade; carbon dioxide capture; biomass to biofuel conversion

(This special issue belongs to the Section Applied Chemistry)

Excited State Dynamics, Photokinetics and Photochemistry

edited by

Mounir Maafi

submission deadline 31 Oct 2026 | 1 articles | Viewed by 1609 | Submission Open

Keywords: photodegradation; excited-state properties; photocatalysis; photochromes; therapeutic photo-drugs; photokinetics; actinometry

Advances in the Detection and Removal of Organic Residue from Water

edited by

Tamara Lazarevic-Pasti

Tamara Terzić

and

Vedran Milanković

submission deadline 31 Oct 2026 | 2 articles | Viewed by 1551 | Submission Open

Keywords: pollutants; water treatment; sustainable remediation; functionalized materials; adsorption; photocatalysis; advanced oxidation processes; environmental health

(This special issue belongs to the Section Applied Chemistry)

Emerging Analytical Methods for Contaminants in Food and Environment

edited by

Miguel Ángel González-Curbelo

submission deadline 31 Oct 2026 | 2 articles | Viewed by 1515 | Submission Open

Keywords: food contaminants; sample preparation; multi-residue analysis; chromatography; mass spectrometry; residue monitoring

(This special issue belongs to the Section Analytical Chemistry)

Natural Compounds: A Lead for Drug Discovery and Development, Second Edition

edited by

Agnieszka Kicel

and

Ewa Skała

submission deadline 31 Oct 2026 | 2 articles | Viewed by 1498 | Submission Open

Keywords: natural compound; drug lead; drug discovery and development; medicinal chemistry; lead optimization; biological evaluation; natural product chemistry; pharmaceutical analysis

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

Bioactive Compounds: Applications and Benefits for Human Health, 2nd Edition

edited by Sara Baldelli,

Gilda Aiello

and

Serena Castelli

submission deadline 31 Oct 2026 | 1 articles | Viewed by 1434 | Submission Open

Keywords: bioactive compounds; polyphenols; terpenoids; alkaloids; glucosinolates; antioxidant; anti-inflammatory; cardiovascular diseases; bacterial and viral infections; microbiota; neurodegenerative diseases; cancer; sarcopenia; identification; purification; extraction

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

Advances in Analytical Strategies to Study Cultural Heritage Samples, 3rd Edition

edited by

Maria Luisa Astolfi

and

Ilaria Serafini

submission deadline 31 Oct 2026 | 2 articles | Viewed by 1408 | Submission Open

Keywords: sample preparation; trace elements; multielement analysis; spectrometric techniques; organic compounds; authenticity; chemical characterization; biological remains; pigments

(This special issue belongs to the Section Analytical Chemistry)

Design, Fabrication, and Applications of Nano-Membrane Materials

edited by

Shuping Wu

and

Minjia Meng

submission deadline 31 Oct 2026 | 1 articles | Viewed by 1370 | Submission Open

Keywords: nanomembranes; membrane fabrication; separation; waste purification; nanomaterials; advanced materials

(This special issue belongs to the Section Applied 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 Oct 2026 | 1 articles | Viewed by 1356 | 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)

Computational Approaches for Drug and Protein Design

edited by

and

Jesus Vicente De Julián Ortiz

submission deadline 31 Oct 2026 | 2 articles | Viewed by 1252 | Submission Open

Keywords: computational drug design; molecular docking and molecular dynamics simulations; generative-AI and machine learning in drug discovery; protein structure prediction; ligand-based/structure-based drug discovery; biomolecular modelling

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

Plant-Derived Secondary Metabolites: Bioactivity and Applications

edited by

Cristian Jiménez Martínez

Luis Jorge Corzo-Rios

and

Jorge Carlos Ruíz-Ruíz

submission deadline 31 Oct 2026 | 1 articles | Viewed by 1220 | Submission Open

Keywords: secondary metabolites; biological activity; medicinal plants; preservation; potentiation; antioxidant; nanoencapsulation; elicitation; extraction; bioavailability

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

Advances in Radiation Detection Materials and Technology

edited by Qianli Li and Weiguang Yang

submission deadline 31 Oct 2026 | 1 articles | Viewed by 1209 | Submission Open

Keywords: radiation-sensitive material; scintillation material; luminescent center optimization; radiation detection materials; flexible dosimeter; semiconductor heterostructure engineering; synthesis; characterization; application; determination of the crystal structure of biomacromolecules

Advances in Nanocomposites and Functional Textiles for Environmental and Biomedical Applications

edited by

Azam Ali

submission deadline 31 Oct 2026 | 1 articles | Viewed by 1122 | Submission Open

Keywords: nanocomposites; functional textiles; smart and responsive materials; electrospinning and advanced fabrication; green nanomaterials; environmental remediation; antimicrobial and biocompatible fabrics; wearable and biomedical textiles; energy harvesting and sensing applications; sustainable textile engineering

(This special issue belongs to the Section Materials Chemistry)

Green Chemistry Strategies for Biomass Valorization

edited by

Filipa A. Vicente

and

Ilja Gasan Osojnik Črnivec

submission deadline 31 Oct 2026 | 1 articles | Viewed by 1115 | Submission Open

Keywords: green chemistry; biomass valorization; green solvents; biocatalysis; sustainable processes; sustainability metrics

(This special issue belongs to the Section Green Chemistry)

Isolation, Identification and Characterization of Bioactive Compounds in Functional Foods

edited by

Mustafa Yaman

submission deadline 31 Oct 2026 | 1 articles | Viewed by 1027 | Submission Open

Keywords: functional foods; bioactive compounds; food bioactives; bioaccessibility; food composition; nutritional compounds; vitamins; phenolic compounds; bioactive peptides; food processing; food analysis

(This special issue belongs to the Section Food Chemistry)

Innovative Anticancer Compounds and Therapeutic Strategies, 2nd Edition

edited by

Mateusz Kciuk

and Beata Marciniak

submission deadline 31 Oct 2026 | 1 articles | Viewed by 1025 | Submission Open

Keywords: chemical biology; cancer therapeutics; natural compounds; small molecule drug discovery; targeted therapy; high-throughput screening; structure-based drug design; translational research

(This special issue belongs to the Section Medicinal Chemistry)

Recent Advances in Supramolecular Chemistry, 2nd Edition

edited by Wen-Chao Geng and

Ying Han

submission deadline 31 Oct 2026 | 1 articles | Viewed by 1015 | Submission Open

Keywords: supramolecular chemistry; molecular recognition; self-assembly; supramolecular materials; macrocycles

Targeting Cell Signaling Pathways in Drug Discovery

edited by

Jessica Ceramella

submission deadline 31 Oct 2026 | 1 articles | Viewed by 903 | Submission Open

Keywords: targeted therapy; non-communicable diseases; enzymes; synthetic compounds; natural extracts; molecular modeling; chemically modified drugs; cellular key targets

(This special issue belongs to the Section Chemical Biology)

Pesticides in Food and Environment: Detection and Removal Using Chemical Technologies

edited by

Tamara Lazarevic-Pasti

submission deadline 31 Oct 2026 | 1 articles | Viewed by 902 | Submission Open

Keywords: pesticide detection; chemical remediation; advanced oxidation processes; adsorption technologies; green chemistry; functional materials; food and environmental safety; analytical methods

(This special issue belongs to the Section Analytical Chemistry)

Solid Sampling and Analysis

edited by

Irina B. Karadjova

submission deadline 31 Oct 2026 | 1 articles | Viewed by 864 | Submission Open

Keywords: solid sampling; arc and spark optical emission spectrometry; glow discharge techniques coupled with optical emission spectrometry; mass spectrometry; X-ray fluorescence spectrometry

(This special issue belongs to the Section Analytical Chemistry)

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 851 | 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 850 | 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)

Adsorption for Potential Environmental Applications

edited by

Sanda Andrada Maicaneanu

submission deadline 31 Oct 2026 | 2 articles | Viewed by 847 | 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)

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 830 | 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 814 | 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 800 | 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)

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 771 | 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)

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 770 | Submission Open

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

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

Computational Approaches to Reaction Mechanisms

edited by Kaveh Farshadfar

submission deadline 31 Oct 2026 | 1 articles | Viewed by 769 | 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)

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 764 | 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 748 | 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 735 | Submission Open

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

(This special issue belongs to the Section Photochemistry)

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 706 | 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 689 | 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 677 | 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 658 | 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 652 | Submission Open

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

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

Displaying special issue 451-500 on page 10 of 28.