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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 Bioactives and Sustainable Sources: Unlocking the Potential of Underutilized Resources

edited by

Ali Rashidinejad

and

Mirja Kaizer Ahmmed

submission deadline 31 Dec 2025 | Viewed by 285 | Submission Open

Keywords: valorization of agricultural and food processing by-products as sources of bioactives; extraction and purification techniques for plant-derived bioactive compounds; bioactive peptides and polyphenols from underutilized or wild plant species; functional and health-promoting properties of plant-based bioactives; sustainable biorefinery approaches for bioactive recovery; In vitro and in vivo evaluation of bioactivity (e.g.; antioxidant; anti-inflammatory; antimicrobial); applications in functional foods; nutraceuticals; and cosmeceuticals; environmental and economic assessments of sustainable bioactive sourcing

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

Natural Extracts for Pharmaceutical Applications

edited by

Isabel S. Carvalho

submission deadline 31 Dec 2025 | Viewed by 275 | Submission Open

Keywords: natural compounds; phytochemicals; bioactive compounds; medicinal plants; phytopharmacology; antioxidant activity; anti-inflammatory; antimicrobial; antidiabetic; wound healing

(This special issue belongs to the Section Medicinal Chemistry)

Advances in Ammonia Synthesis

edited by Wenbo Gao

submission deadline 31 Dec 2025 | Viewed by 259 | Submission Open

Keywords: ammonia synthesis; heterogeneous catalysis; nitrogen activation; ammonia energy; reaction mechanism; photo/electrochemical ammonia synthesis

(This special issue belongs to the Section Applied Chemistry)

Exploring Heterocyclic Compounds: Design, Synthesis and Medicinal Chemistry Applications

edited by

Renzo Luisi

Smaranda Oniga

and

Philipp Natho

submission deadline 31 Dec 2025 | Viewed by 255 | Submission Open

Keywords: heterocyclic compounds; medicinal chemistry; drug design; synthetic methodologies; structure– activity relationships (SARs); computational chemistry

(This special issue belongs to the Section Organic Chemistry)

AI-Powered Biomolecular Modeling: Bridging Scales and Accelerating Discovery

edited by

Zhaoxi Sun

Jianzhong Chen

and Hui Wang

submission deadline 31 Dec 2025 | Viewed by 252 | Submission Open

Keywords: artificial intelligence; molecular simulations; machine learning; force field development; enhanced sampling; ab initio calculations

Biodegradable Functional Copolymers, Second Edition

edited by

Jean Coudane

submission deadline 31 Dec 2025 | Viewed by 243 | Submission Open

Keywords: biodegradable (co)polymers; chemical functionalization; macromolecular synthesis; macromolecular bioconjugates; environmental and biomedical applications; targeted drug delivery; tissue engineering

(This special issue belongs to the Section Macromolecular Chemistry)

The Synthesis and Application of Rare-Earth-Doped Luminescent Materials

edited by

Liang Zhou

and Rui Wang

submission deadline 31 Dec 2025 | Viewed by 243 | Submission Open

Keywords: luminescent materials; molecular design; luminescent mechanisms and processes; display; lighting; detection

(This special issue belongs to the Section Materials Chemistry)

Innovative Nanostructures for Energy and Environmental Applications

edited by

Janardhan Reddy Koduru

submission deadline 31 Dec 2025 | Viewed by 241 | Submission Open

Keywords: nanostructures; energy conversion; environmental applications; quantum dots; nanowires; graphene; MXenes; metal nitrides; 2D materials; 3D materials; sustainable energy; pollutant removal; synthesis techniques; adsorbents; water purification; sustainable materials; green energy technologies; advanced nanomaterials; multifunctional materials; hydrogen production; catalysis

(This special issue belongs to the Section Materials Chemistry)

Artificial Intelligence Driving Transformative Advances in Food Science and Technology

edited by

Alicia Gil-Ramírez

and

Miguel Rebollo-Hernanz

submission deadline 31 Dec 2025 | Viewed by 235 | Submission Open

Keywords: food sustainability; artificial intelligence; food processes optimization; functional foods; food safety; individualized nutrition

(This special issue belongs to the Section Food Chemistry)

Bioactive Compounds in Cosmetic Applications

edited by

Sonia Laneri

submission deadline 31 Dec 2025 | Viewed by 231 | Submission Open

Keywords: bioactive compounds; peptides; herbal extract; biofermentates; upcycling; skin well-being; in vitro tests; efficacy testing

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

A Theme Issue in Honor of Professor Gary E. Martin's 75th Birthday

edited by R. Thomas Williamson and

Leonid B. Krivdin

submission deadline 31 Dec 2025 | Viewed by 229 | Submission Open

Keywords: NMR; pulse sequences; natural products; pharmaceuticals; anisotropic NMR; CASE; DFT

(This special issue belongs to the Section Bioorganic Chemistry)

Bioactive Natural Product Compounds in Cancer Prevention and Therapy

edited by

Harinantenaina Liva Rakotondraibe

submission deadline 31 Dec 2025 | Viewed by 223 | Submission Open

Keywords: natural product; cytotoxic; bioactivity mechanism; cancer; drug discovery; drug delivery; chemoprevention

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

10th Anniversary of Organometallic Chemistry Section

edited by

Alistair Lees

and

Isabella Rimoldi

submission deadline 31 Dec 2025 | Viewed by 221 | Submission Open

Keywords: transition metal complexes; metal dyes; metal based-drugs; catalysis; metal compounds in therapy; materials science

(This special issue belongs to the Section Organometallic Chemistry)

The Therapeutic Potential of Natural and Synthetic Anti-Inflammatories

edited by

Alisson Macário De Oliveira

Patrícia Maria Guedes Paiva

and Wendeo Kennedy Costa

submission deadline 31 Dec 2025 | Viewed by 217 | Submission Open

Keywords: anti-inflammatory agents; bioactive compounds; drug discovery; phytochemicals; chronic inflammation; inflammation; medicinal chemistry

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

Phenotypic Screening for Drug Development and Discovery

edited by Xiang Li

submission deadline 31 Dec 2025 | Viewed by 199 | Submission Open

Keywords: phenotypic screening; drug discovery; target deconvolution; disease models; high-throughput screening; mechanism of action; translational research

(This special issue belongs to the Section Medicinal Chemistry)

Application of Vibrational Spectroscopy Coupled with Chemometric Tools

edited by

Ricardo N. M. J. Páscoa

submission deadline 31 Dec 2025 | Viewed by 196 | Submission Open

Keywords: vibrational spectroscopy; chemometrics; quantitative analysis; qualitative analysis; NIR spectroscopy; IR spectroscopy; Raman spectroscopy

(This special issue belongs to the Section Analytical Chemistry)

Recent Advances in Medicinal Chemistry in Asia

edited by

Peng Zhan

and Jinfei Yang

submission deadline 31 Dec 2025 | Viewed by 191 | Submission Open

Keywords: drug design; drug discovery; lead compounds; anticancer agents; antiviral agents; antidiabetic agents; CNS agents

(This special issue belongs to the Section Medicinal Chemistry)

Synthesis and Application of Chalcogen-Containing Organic Compounds

edited by

Angelita Manke Barcellos

Diego Alves

and

Eder João Lenardão

submission deadline 31 Dec 2025 | Viewed by 191 | Submission Open

Keywords: organoselenium compounds; organotellurium compounds; organosulfur compounds; electrophilic chalcogenation; nucleophilic chalcogenation; organochalcogen compounds in material science; elemental chalcogen; C– X bond formation (X = S; Se; Te); pharmacological properties

(This special issue belongs to the Section Organic Chemistry)

Antimicrobial Peptide Assemblies

edited by

Wen Li

submission deadline 31 Dec 2025 | Viewed by 190 | Submission Open

Keywords: peptides; peptide hybrids; peptide conjugates; self-assembly; stimuli-responsiveness; antimicrobial activity

(This special issue belongs to the Section Chemical Biology)

Unique Heterocycles for Drug Discoveries

edited by

Xinghai Liu

submission deadline 31 Dec 2025 | Viewed by 189 | Submission Open

Keywords: heterocyclic compound; heterocyclic chemistry; medicinal chemistry; drug discovery; synthetic methodologies; drug design

(This special issue belongs to the Section Organic Chemistry)

Design, Synthesis and Applications of Fluorescent Probes

edited by

Xiaowei Xu

and

Rong Huang

submission deadline 31 Dec 2025 | Viewed by 182 | Submission Open

Keywords: fluorescent probes; bioimaging; design synthesis; molecular imaging; cell biology; disease mechanisms; diagnostic imaging; drug discovery; biocompatibility

(This special issue belongs to the Section Medicinal Chemistry)

Natural Products for Chronic Disease: Mechanisms and Applications

edited by

Zheng Li

and

Sokcheon Pak

submission deadline 31 Dec 2025 | Viewed by 178 | Submission Open

Keywords: natural products; chronic diseases; mechanism; herbal compound; drug delivery system; molecular modification

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

Applications of Advanced Functional Materials: Electrocatalysis and Energy

edited by

Rajneesh Kumar Mishra

submission deadline 31 Dec 2025 | Viewed by 171 | Submission Open

Keywords: functional nanomaterials; advanced catalysts; hydrogen evolution reaction (HER); sustainable energy; electrocatalysis; energy conversion

(This special issue belongs to the Section Materials Chemistry)

Transition Metal Complexes in Cancer Therapy: Beyond Platinum

edited by Wai Lun Man

submission deadline 31 Dec 2025 | Viewed by 170 | Submission Open

Keywords: anticancer drugs; transition metal complexes; inorganic chemistry; medicinal chemistry; chemotherapy

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

Feature Review Papers in Electrochemistry, 2nd Edition

edited by

Ram K. Gupta

and

César Augusto Correia de Sequeira

submission deadline 31 Dec 2025 | Viewed by 164 | Submission Open

Keywords: electrochemical science; electrochemical technology; environmental applications; new materials; energy conversion; energy storage; electrocatalysis; combined electrochemical technologies

(This special issue belongs to the Section Electrochemistry)

Advances in Heterogeneous Catalysis for Green Chemistry

edited by Chen Li,

Iwona Kuzniarska-Biernacka

and

Liangchun Li

submission deadline 31 Dec 2025 | Viewed by 157 | Submission Open

Keywords: green chemistry; heterogeneous catalysis; photocatalysis; electrocatalysis; thermal catalysis

(This special issue belongs to the Section Green Chemistry)

Plasma Catalysis Method in Catalytic Process

edited by

Sanchari Chowdhury

and Debtanu Maiti

submission deadline 31 Dec 2025 | Viewed by 157 | Submission Open

Keywords: catalysis; energy; plasma; surface interactions; mechanism; atmospheric plasma catalysis; plasma characterization; theory and modeling

(This special issue belongs to the Section Organic Chemistry)

Tailored Fluorescent Probes for Selective Recognition of Heavy Metal Species

edited by

Ying Hu

submission deadline 31 Dec 2025 | Viewed by 156 | Submission Open

Keywords: fluorescent probes; heavy metal detection; selective recognition; multi-target sensing; environmental monitoring; bioimaging; food safety; sensor design

(This special issue belongs to the Section Analytical Chemistry)

Sustainable Approaches to Nanoparticle Synthesis: Toward a Greener and Safer Future

edited by

Vladimir Mihailovic

submission deadline 31 Dec 2025 | Viewed by 156 | Submission Open

Keywords: green synthesis of nanoparticles; sustainable nanotechnology; eco-friendly nanomaterials; biogenic nanoparticle synthesis; plant-mediated nanoparticle synthesis; microbial-assisted nanoparticle synthesis; renewable precursors in nanotechnology; low-toxicity nanomaterials; biological activities of green synthesized nanoparticles

(This special issue belongs to the Section Green Chemistry)

Current Development Prospects of Novel Nanocatalysts

edited by Fengyu Gao

submission deadline 31 Dec 2025 | Viewed by 150 | Submission Open

Keywords: novel nanocatalysts; pollutant purification; environmental catalysis technology; precious metals; metal/alloys; metal oxides; non-metallic materials; environmental protection; gas purification; wastewater treatment; soil remediation; solid waste management; carbon neutrality

(This special issue belongs to the Section Green Chemistry)

Exploring the Nanomaterials in Electrochemical Sensor: From Design to Application

edited by Hongbo Li and

Songbai Zhang

submission deadline 31 Dec 2025 | Viewed by 147 | Submission Open

Keywords: nanomaterials; metal– organic frameworks; quantum dots; covalent– organic frameworks; polymers; organic– inorganic nanocomposites; electrochemical sensors

(This special issue belongs to the Section Materials Chemistry)

Advances in Material Chemistry for Sustainable Energy Storage: Innovations, Challenges, and Future Directions

edited by

Bofeng Shang

and Peng Liu

submission deadline 31 Dec 2025 | Viewed by 143 | Submission Open

Keywords: phase change thermal energy storage material; energy storage hydrogel materials; materials for photocatalytic hydrogen production; thermochemical heat storage materials; electrochemical energy storage material

(This special issue belongs to the Section Materials Chemistry)

Metal Oxide Nanomaterials: Synthesis, Structures and Optical Properties

edited by

Anton Airinei

submission deadline 31 Dec 2025 | Viewed by 125 | Submission Open

Keywords: metal oxide; nanomaterial; synthesis; structure; optical; electric; property; application; catalyst; photodegradation; solar cell; sensor; vector; drug delivery; nanomedicine; green technology; optical communication; metal doping; photocatalysis; band-gap engineering; defect characterization and engineering; biosensor; antibacterial

(This special issue belongs to the Section Nanochemistry)

Chromatographic Analysis of Pesticide Residues in Environmental Samples

edited by

Joanna Plonka

submission deadline 31 Dec 2025 | Viewed by 124 | Submission Open

Keywords: chromatography coupled to mass spectrometry; targeted analysis; non-targeted analysis; validation; plants; soils

(This special issue belongs to the Section Analytical Chemistry)

Advanced Delivery Systems for Therapeutic and Agro-Chemical Applications

edited by

Wenjing Ma

submission deadline 31 Dec 2025 | Viewed by 112 | Submission Open

Keywords: micro- and nano-carriers; responsive; toxicology; safety; drug delivery

(This special issue belongs to the Section Applied Chemistry)

Emerging Technologies for Chemical Recovery of Spent Batteries

edited by Yuan Liang and

Feng Yu

submission deadline 31 Dec 2025 | Viewed by 82 | Submission Open

Keywords: spent battery recycling; chemical recycling technologies; critical metal recovery; hydrometallurgy; bioleaching; circular economy

(This special issue belongs to the Section Green Chemistry)

Degradation of Soil Pollutants

edited by

Agata Krakowska

submission deadline 31 Dec 2025 | Viewed by 78 | Submission Open

Keywords: degradation; remediation; analysis; pollutions; soil; new technology

(This special issue belongs to the Section Applied Chemistry)

Advances in Amylases, 2nd Edition

edited by

Stefan Janecek

submission deadline 15 Jan 2026 | Viewed by 460 | Submission Open

Keywords: enzyme; alpha-amylase enzyme; starch and glycogen; gut microbiome oriented study

(This special issue belongs to the Section Bioorganic Chemistry)

Review Papers in Materials Chemistry—2nd Edition

edited by

Giuseppe Cirillo

and

Fiore P. Nicoletta

submission deadline 15 Jan 2026 | 1 articles | Viewed by 421 | Submission Open

Keywords: materials chemistry; organic and inorganic materials; biomaterials; nanomaterials; hybrid materials; core-shell materials; thin films; self-assembling systems; tailored and unusual properties of materials

(This special issue belongs to the Section Materials Chemistry)

Transition Metal Complexes with Bioactive Ligands

edited by

Dušan Dimić

submission deadline 16 Jan 2026 | 1 articles | Viewed by 1147 | Submission Open

Keywords: transition metal complexes; DFT; QTAIM; biological activity; bioactive ligands; crystal structures

(This special issue belongs to the Section Organometallic Chemistry)

Isolation, Analysis, and Biological Activities of Secondary Metabolites Derived from Plants

edited by

Valdimaras Janulis

, Mindaugas Liaudanskas and

Kristina Zymonė

submission deadline 20 Jan 2026 | 4 articles | Viewed by 7306 | Submission Open

Keywords: isolation; analysis; phytochemical composition; biological activity

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

Advanced Polymer Composites for Sustainable Technologies: Synthesis, Characterization, and Performance

edited by Fujuan Liu

submission deadline 20 Jan 2026 | 1 articles | Viewed by 1154 | Submission Open

Keywords: sustainable polymer composites; thermal insulation materials; fiber-reinforced composites; renewable energy applications; biodegradable composites; flexible electronics; light-emitting materials; Janus membrane design; nanomaterials; biomimetic design

(This special issue belongs to the Section Macromolecular Chemistry)

Molecular, Technological and Nutritional Aspects of Food Fortification and Processing

edited by

Stanisław Kowalski

and

Anna Mikulec

submission deadline 30 Jan 2026 | 1 articles | Viewed by 1832 | Submission Open

Keywords: food fortification and processing; molecular; technological; and nutritional aspects; food composition; functionality; nutritional quality

(This special issue belongs to the Section Food Chemistry)

The Application of LC-MS in Pharmaceutical Analysis—2nd Edition

edited by Wing Lam and

Wei Cai

submission deadline 30 Jan 2026 | 1 articles | Viewed by 1767 | Submission Open

Keywords: LC– MS; chemical characterization; metabolite identification; metabolomics; pharmacokinetics

(This special issue belongs to the Section Analytical Chemistry)

State of the Art of Natural Antioxidants: Extraction, Detection and Biofunctions—2nd Edition

edited by

Mostafa Gouda

Yong He

Alaa El-Din A. Bekhit

and

Xiaoli Li

submission deadline 30 Jan 2026 | 1 articles | Viewed by 1394 | Submission Open

Keywords: antioxidant; phytochemistry; bioactive molecules; biotechnology; biomolecules; analytical chemistry; food chemistry; phytomedicine

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

Phosphorus-Based Compounds in Medicinal Chemistry

edited by

Magdalini Matziari

submission deadline 30 Jan 2026 | Viewed by 287 | Submission Open

Keywords: phosphorus-containing drugs; prodrugs; phosphonates; phosphinates; bioisosteres; enzyme inhibitors; drug design; drug discovery

(This special issue belongs to the Section Medicinal Chemistry)

Phytochemicals as Promising Molecules in Acute and Chronic Neurodegeneration

edited by

Paola Lenzi

submission deadline 30 Jan 2026 | Viewed by 195 | Submission Open

Keywords: phytochemicals; nutrients; morphology; transmission electron microscopy; autophagy; proteasome; neurodegeneration; central nervous system; peripheral nervous system; sensory organs

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

Advances in Nanoscale Drug Delivery Technologies and Theranostics

edited by

Anne-Marie Caminade

and Valérie Maraval

submission deadline 30 Jan 2026 | Viewed by 135 | Submission Open

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

(This special issue belongs to the Section Nanochemistry)

Advanced Functional Quantum Dots: Design, Properties and Application

edited by

Łukasz Kaczmarek

and

Piotr Zawadzki

submission deadline 30 Jan 2026 | Viewed by 94 | Submission Open

Keywords: quantum dots; functionalization; quantum modelling; novel materials; nanomaterials

(This special issue belongs to the Section Nanochemistry)

Health Benefits and Applications of Bioactive Phenolic Compounds

edited by

Joana Madureira

and

Sandra Cabo Verde

submission deadline 31 Jan 2026 | 5 articles | Viewed by 21720 | Submission Open

Keywords: natural bioactive compounds; health benefits; bioactive properties; extraction methodologies; in vitro and in vivo studies; potential applications

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

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