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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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Advanced Oxidation of Emerging Pollutants in Water

edited by Rongfang Yuan

submission deadline 30 Nov 2025 | Viewed by 43 | Submission Open

Keywords: advanced oxidation; photocatalytic oxidation; photoelectrocatalytic processes; ultrasonic irradiation; peroxymonosulfate activation; emerging pollutants; water treatment

(This special issue belongs to the Section Green Chemistry)

Cross-Coupling Strategies for the Synthesis of Functionalized Organic Compounds

edited by Xiaobo Pang and Han-jun Ai

submission deadline 30 Nov 2025 | Viewed by 42 | Submission Open

Keywords: cross-coupling; transition metal catalysis; palladium catalysis; copper catalysis; nickel catalysis; C– N bond formation; C– C bond formation; photoredox; electrochemistry; organic synthesis; functionalized molecules; catalytic mechanisms; green chemistry

(This special issue belongs to the Section Organic Chemistry)

Bioactive Compounds Encapsulation System: Design and Applications

edited by

Gangcheng Wu

submission deadline 30 Nov 2025 | Viewed by 41 | Submission Open

Keywords: bioactive compounds; encapsulation; nanocarriers; bioavailability; targeted delivery; drug delivery; functional foods

(This special issue belongs to the Section Food Chemistry)

DYRK Protein Kinases: Function and Inhibition

edited by

Isao Kii

submission deadline 30 Nov 2025 | Viewed by 40 | Submission Open

Keywords: DYRK1A; DYRK1B; DYRK2; DYRK3; DYRK4; Down syndrome; metabolic syndrome; cancer; cilia

(This special issue belongs to the Section Chemical Biology)

Natural-Based Sorbents for Water Remediation

edited by

Stefano Salvestrini

Yannice Tatiane da Costa Santos

and

Hiago de Oliveira Gomes

submission deadline 30 Nov 2025 | Viewed by 38 | Submission Open

Keywords: natural sorbents; removal of organic or inorganic contaminants from water; physical and chemical characterization of the sorbent; kinetic and equilibrium sorptive tests; evaluation of thermodynamic and kinetic parameters; determination of the actual sorption mechanism

(This special issue belongs to the Section Physical Chemistry)

Advances in Heterocyclic Synthesis, 2nd Edition

edited by

Francesca Marini

submission deadline 30 Nov 2025 | Viewed by 36 | Submission Open

Keywords: heterocycles; stereoselective synthesis; sustainable synthesis; one-pot reactions; multicomponent reactions; catalysis

(This special issue belongs to the Section Organic Chemistry)

Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics, 4th Edition

edited by

Marco Tutone

Anna Maria Almerico

and

Giulia Culletta

submission deadline 30 Nov 2025 | Viewed by 33 | Submission Open

Keywords: QSAR and 3D-QSAR; unbiased and biased molecular dynamics; pharmacophore modeling; reverse modeling; ab initio calculations; protein– protein interactions; free energy profiling; modeling of nucleic acids (mRNA; rRNA; tRNA); molecular docking; virtual screening; multitarget approaches; ADMET prediction; similarity analysis; computational approaches applied to natural compounds and nutraceuticals

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

Novel Membranes and Coatings for Biomedical and Food Applications

edited by

Jurak Małgorzata

submission deadline 30 Nov 2025 | Viewed by 32 | Submission Open

Keywords: model cell membranes; biocompatible and edible coatings; bioactive compounds; nutrients; biomaterials; surface characteristics; dispersion systems

(This special issue belongs to the Section Applied Chemistry)

Extraction and Analysis of Natural Products in Food—3rd Edition

edited by

Valeria Guarrasi

and

Amenta Margherita

submission deadline 30 Nov 2025 | Viewed by 32 | Submission Open

Keywords: natural products; extraction methodologies: green impacts and sustainability ; separation and purification techniques ; agri-food byproducts ; natural bioactive compounds ; food ingredients ; industrial application

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

Chemical and Physical Interactions Between Food and Packaging: Safety, Stability, and Quality

edited by

Agnieszka Ciurzyńska

and

Monika Janowicz

submission deadline 30 Nov 2025 | Viewed by 28 | Submission Open

Keywords: packaging; coating; physical properites; chemical properties; food quality; food safety

(This special issue belongs to the Section Food Chemistry)

Innovative Materials for Wastewater Treatment Applications

edited by

Anastasia D. Pournara

Manolis Manos

and

Dimosthenis Giokas

submission deadline 30 Nov 2025 | Viewed by 25 | Submission Open

Keywords: wastewater treatment; heavy metal removal; adsorption and ion exchange; metal– organic frameworks (MOFs); metal sulfide sorbents; nanomaterials; functionalized composites; emerging pollutants

(This special issue belongs to the Section Materials Chemistry)

Bio-Based and Natural Compounds: A Sustainable Approach for an Environmental Transition

edited by

Marco Zannotti

and

Rita Giovannetti

submission deadline 30 Nov 2025 | Viewed by 25 | Submission Open

Keywords: bio-based materials; green materials; environmental application; natural compounds; characterization; sustainability

(This special issue belongs to the Section Green Chemistry)

A Themed Issue in Honor of the 20th Anniversary of the Mexican Academy of Organic Chemistry (AMQO)

edited by Ivan Romero-Estudillo,

Mario Orodnez

, Alicia Boto and

David Chávez-Flores

submission deadline 30 Nov 2025 | Viewed by 23 | Submission Open

Keywords: organic chemistry; chemistry process; chemistry; chemical science; science in Mexico

(This special issue belongs to the Section Organic Chemistry)

Applications of EPR Spectroscopy in Various Fields of Scientific Research

edited by

Yordanka Karakirova

submission deadline 30 Nov 2025 | Viewed by 19 | Submission Open

Keywords: EPR spectroscopy; free radicals; paramagnetic species; dosimetry; food technology; archeology; environmental; catalysis

(This special issue belongs to the Section Analytical Chemistry)

Organometallic Photochemistry: A Commemorative Special Issue Honoring Professor Alistair Lees

edited by

Shih-Sheng Sun

submission deadline 30 Nov 2025 | Viewed by 17 | Submission Open

Keywords: photochemistry and photophysics; supramolecular photochemistry; excited state processes; photocatalysis; sensors and probes; photofunctional materials

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

Anti-Inflammatory and Antimicrobial Compounds and Extracts from Plant Sources

edited by

Catherine C. Neto

and

Hang Ma

submission deadline 30 Nov 2025 | Viewed by 16 | Submission Open

Keywords: phytochemicals; anti-inflammatory; antimicrobial; plants; extracts; botanicals; metabolites; functional foods

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

Advanced Materials for Photocatalytic and Photoelectrocatalytic Water-Splitting

edited by

Lagnamayee Mohapatra

submission deadline 30 Nov 2025 | Viewed by 15 | Submission Open

Keywords: photocatalysis; photoelectrocatalysis; water splitting; bandgap engineering; semiconductor materials; visible-light-driven catalysis

(This special issue belongs to the Section Materials Chemistry)

Natural Bioactive Compounds from Traditional Asian Plants—Second Edition

edited by Mikio Nishizawa

submission deadline 30 Nov 2025 | Viewed by 9 | Submission Open

Keywords: natural product; medicinal plants; traditional medicine; bioactive molecules; crude drugs

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

Valorization of Biomass and Waste: Transforming Renewable Resources into High-Value Chemicals and Fuels

edited by

Cheng Zhang

submission deadline 30 Nov 2025 | Viewed by 9 | Submission Open

Keywords: thermochemical; biochemical; and hybrid conversion processes; noncatalytic; catalytic; and biocatalytic valorization pathways; platform chemicals and bio-based polymers from biomass; biofuels production (biodiesel; bioethanol; biogas; etc.); upcycling of agricultural; industrial; and municipal waste; process optimization and scale-up; novel materials derived from renewable or waste sources

Antitumor Bioactive Compounds: Synthesis, Extraction and Evaluation

edited by

Fatima Cerqueira

and

Rui Medeiros

submission deadline 30 Nov 2025 | Viewed by 7 | Submission Open

Keywords: antitumor; synthetic compounds; natural compounds; mechanism of action

(This special issue belongs to the Section Medicinal Chemistry)

Advances in Nonlinear Optical Molecular Materials

edited by Abdelkrim El-Ghayoury

submission deadline 30 Nov 2025 | Viewed by 5 | Submission Open

Keywords: nonlinear optics; organic materials; hybrid composites; optoelectronics; chromophores; polymer composites; electro-optic effects; molecular engineering; structure– property relationships

(This special issue belongs to the Section Materials Chemistry)

From Biomass to High-Value Products: Processes and Applications

edited by

Sung Phil Mun

submission deadline 30 Nov 2025 | Viewed by 1 | Submission Open

Keywords: biomass valorization; biorefineries; green chemistry; bio-based products; catalysis; thermochemical conversion; sustainable materials

(This special issue belongs to the Section Applied Chemistry)

Metal and Metal Oxide Nanocomposites: From Synthesis to Applications in Biomedical & Environmental Technologies

edited by

Marija B. Radoičić

and Darka Markovic

submission deadline 1 Dec 2025 | Viewed by 7 | Submission Open

Keywords: metal nanocomposites; metal oxide nanocomposites; nanomaterials synthesis; biomedical applications; environmental remediation; photocatalysis; antimicrobial activity; sustainable nanotechnology

(This special issue belongs to the Section Materials Chemistry)

Advances in Sustainable Solvents for Greener Chemical Processes

edited by

José Luis Todolí Torró

and

Gabriela Guillena

submission deadline 12 Dec 2025 | Viewed by 19 | Submission Open

Keywords: sustainable solvents; green chemistry; alternative solvents; process integration; environmental impact

(This special issue belongs to the Section Green Chemistry)

Advances in Lignocellulosic Biomass

edited by

Lacrimioara Senila

submission deadline 15 Dec 2025 | Viewed by 59 | Submission Open

Keywords: lignocellulosic biomass; renewable biomass; biofuels; bio-chemicals; biomaterials; bioplastics

Recent Advances in Graphene-Based Materials

edited by

Raffaello Papadakis

and

Grazia Giuseppina Politano

submission deadline 16 Dec 2025 | Viewed by 34 | Submission Open

Keywords: graphene; graphene oxide; reduced graphene oxide; 2D; energy storage; catalysis; optoelectronics

(This special issue belongs to the Section Materials Chemistry)

Bioactive Compounds in Foods, Beverages, and By-Products and Their Functional Potential

edited by

Maria Beatriz Prior Pinto Oliveira

Carolina De Souza

Ederlan S. Ferreira

and

Alessio Scarafoni

submission deadline 28 Dec 2025 | Viewed by 17 | Submission Open

Keywords: bioactive compounds in foods; beverages; and/or food by-products; unconventional raw materials as a source of bioactive compounds; bioactive compounds in human health and diseases; bioactive compounds: focus on its mechanism of action; bioavailability of the bioactive compounds; studies (in silico; in vitro; vivo; and clinical) with a focus on bioactive potential; analytical techniques to identify bioactive compounds; trends and advances in bioactive compounds analysis

(This special issue belongs to the Section Food Chemistry)

Opportunities and Challenges in Organic Optoelectronic Materials

edited by

Chien-Jung Huang

and

Mu-Chun Wang

submission deadline 30 Dec 2025 | 1 articles | Viewed by 693 | Submission Open

Keywords: organic semiconductors; organic photonics; inorganic/organic hybrid materials; excitons; electroluminescence; photovoltaics; vacuum/solution process; energy transfer

(This special issue belongs to the Section Materials Chemistry)

Small-Molecule Targeted Drugs

edited by

Wen Zhang

submission deadline 30 Dec 2025 | Viewed by 37 | Submission Open

Keywords: drug discovery; high-throughput screening; structure (ligand)-based drug design; PD-1/PD-L1 drug design; molecular docking; pharmacophore modeling; therapeutics; computational approaches

(This special issue belongs to the Section Medicinal Chemistry)

Exploring the Potential of Biodegradable and Biocompatible Natural Polymers

edited by

Meng He

and Dingfeng Xu

submission deadline 30 Dec 2025 | Viewed by 24 | Submission Open

Keywords: natural polymers; biopolymers; biocompatibility; material design; biomedical applications; packaging; derivatives; environmental impact

(This special issue belongs to the Section Applied Chemistry)

Metal Complexes as Potential Antimicrobial and Antiproliferative Agents

edited by

Mihaela Badea

submission deadline 31 Dec 2025 | 7 articles | Viewed by 19485 | Submission Open

Keywords: metal complexes; antimicrobial activity; antiproliferative activity; cytotoxicity; biofilm

(This special issue belongs to the Section Inorganic Chemistry)

Bioactive Phenolic and Polyphenolic Compounds, Volume III

edited by

Cristina Forzato

submission deadline 31 Dec 2025 | 11 articles | Viewed by 16791 | 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)

Research on Heterogeneous Catalysis—2nd Edition

edited by

Lin Huang

and

Yinghuai Zhu

submission deadline 31 Dec 2025 | 13 articles | Viewed by 11984 | Submission Open

Keywords: heterogeneous; catalysis; catalyst; surface; reaction

(This special issue belongs to the Section Applied Chemistry)

Exclusive Contributions by the Editorial Board Members (EBMs) of the Organic Chemistry Section of Molecules

edited by

Maged Henary

submission deadline 31 Dec 2025 | 10 articles | Viewed by 8973 | Submission Open

Keywords: organic compounds; organic synthesis; organic reaction; click chemistry; organocatalysis

(This special issue belongs to the Section Organic Chemistry)

Featured Papers in Organometallic Chemistry—2nd Edition

edited by

Michal Szostak

submission deadline 31 Dec 2025 | 9 articles | Viewed by 7431 | Submission Open

Keywords: organometallic chemistry; complexes; metals; metal– carbon bonding; main group metals; transition metals; lanthanides; catalysis; ligands; metal chemistry; phosphines; N-heterocyclic carbenes; bipyridines; homogeneous catalysis; cross-coupling; bond activation; ancillary ligands; photoredox catalysis; asymmetric catalysis; crystallography; spectroscopy

(This special issue belongs to the Section Organometallic Chemistry)

Functional Molecules as Novel Cosmetic Ingredients

edited by Jing Wang and Zhong Liu

submission deadline 31 Dec 2025 | 6 articles | Viewed by 7260 | Submission Open

Keywords: synthetic molecules; plant extracts; natural compounds; biotech-derived molecules; natural-derived molecules; fermentation-derived ingredients; biological activity; cosmetics; encapsulation and delivery technologies of ingredients; skin-care; hair-care

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

Porous Organic Materials: Design and Applications: Volume II

edited by

Yan’an Gao

and Qi Chen

submission deadline 31 Dec 2025 | 6 articles | Viewed by 5931 | Submission Open

Keywords: topology design; synthesis; structure— function correlation; adsorption and separation; catalysis; energy storage and conversion; mass transportation; biological application

(This special issue belongs to the Section Materials Chemistry)

Natural Antioxidants in Functional Food

edited by

José Miguel Álvarez-Suárez

Montaña Cámara

and

Abishek Santhakumar

submission deadline 31 Dec 2025 | 3 articles | Viewed by 5644 | Submission Open

Keywords: natural antioxidants; bioactive compounds; functional foods; novel foods; exotic foods; health and nutrition claims

(This special issue belongs to the Section Food Chemistry)

Functional Nanomaterials for Energy and Environmental Sustainability

edited by Dezhi Chen, Junfei Liang and

Wei Wei

submission deadline 31 Dec 2025 | 5 articles | Viewed by 4274 | Submission Open

Keywords: functional nanomaterials; resource recovery; secondary batteries; supercapacitors; water purification; carbon capture; VOC elimination

(This special issue belongs to the Section Applied Chemistry)

New Sights in Nanomaterials for Photoelectrochemistry

edited by Yibo Yan

submission deadline 31 Dec 2025 | 2 articles | Viewed by 3860 | Submission Open

Keywords: photoelectrochemical catalysis; photoelectrochemical cells; photoelectrochemical sensors; photoelectrochemical characterizations; photoelectrochemical conversion; photoelectrochemical transformations; optoelectronic devices; photoelectrochemical CO2 reduction

(This special issue belongs to the Section Nanochemistry)

Chemical Profiling of Plant Extracts with Antioxidant Activity: Identification of Bioactive Compounds

edited by

Marcos Soto-Hernández

submission deadline 31 Dec 2025 | 2 articles | Viewed by 3609 | Submission Open

Keywords: flavonoids; phenolic acids; terpenoids; anthocyanins; antioxidant activity; chemical profiling

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

Phytochemical Profiling, Bioactivity, Biotechnology Studies and Practical Applications of Medicinal and Cosmetic Plants

edited by

Agnieszka Szopa

Magdalena Anna Malinowska

and

Ekaterina-Michaela Tomou

submission deadline 31 Dec 2025 | 2 articles | Viewed by 3067 | Submission Open

Keywords: plant metabolites; plant biotechnology; bioactive natural compounds; natural products metabolomics; pharmacological activity of natural compounds; cosmetic applications of natural compounds; isolation of natural compounds; essential oils; biological activity of natural compounds; in vitro approach; in vivo approach; clinical investigations; ethnopharmacological indications; ethnobotanical indications; technology of cosmetic formulations; skin permeability; irritating potential; agricultural practices

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

Cutting-Edge Progress in Natural Product-Derived Antimicrobial Drugs

edited by

Feng Lu

Weicheng Hu

and

Jin Hee Han

submission deadline 31 Dec 2025 | 3 articles | Viewed by 2954 | Submission Open

Keywords: natural products; structural elucidation; bio-activity guided isolation; pathogen; antimicrobial

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

Porous Polymers Design, Synthesis and Applications in the Field of Catalysis, Separation and Energy

edited by

Xianguang Meng

and

Qiang Shi

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2803 | Submission Open

Keywords: polymers design and synthesis; pore structure; morphology; surface modification; physical characteristics; mechanical properties; catalysis; thermal stability; transport; separation; advanced techniques

(This special issue belongs to the Section Materials Chemistry)

Advances in Photocatalytic Degradation of Organic Pollutants

edited by Qianqian Liu, Quan Zhang and

Jing Ding

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2715 | Submission Open

Keywords: photocatalysis; photocatalytic degradation of organic pollutants; functional materials; semiconductor photocatalysts; DFT

(This special issue belongs to the Section Green Chemistry)

New Strategies for Drug Development

edited by

Danuta Wojcieszyńska

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2460 | Submission Open

Keywords: drugs; biosynthesis; biotransformation; natural products; biological activity; bioactive compounds; structure– activity relationship; drug development

(This special issue belongs to the Section Medicinal Chemistry)

The 30th Anniversary of Molecules—Recent Advances in Chemical Biology

edited by

Akinori Kuzuya

Daisuke Miyoshi

and

Camila C. Portugal

submission deadline 31 Dec 2025 | 5 articles | Viewed by 2333 | Submission Open

Keywords: bioorthogonal chemistry; peptides; nucleic acids; proteins; analytical methods; chemical inhibitors; chemical probe; ubiquitination; structure-activity relationship

(This special issue belongs to the Section Chemical Biology)

Synthesized and Functionalized Nanoparticles in Natural Compounds

edited by

Federica Valentini

submission deadline 31 Dec 2025 | 1 articles | Viewed by 2069 | Submission Open

Keywords: nanoparticles; green synthesis; two step-based mechanism growth for nanostructures; template synthetic approach; essential oil (EO); functionalized nanoparticles; shape factor (SF); antibacterial features; cytotoxicity properties; cultural heritage reparation; drug delivery and discovery; nano-carrier in biotechnologies

(This special issue belongs to the Section Materials Chemistry)

(Mass Spectrometric) Non Target Screening–Techniques and Strategies: Volume II

edited by

Thomas Letzel

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1951 | Submission Open

Keywords: mass spectrometric non-target screening; NTS workflows; NTS strategies; NTS techniques (separation; ionization; detection); HPLC; SFC; GC; CE; HRMS; MS/MS; NTS software solutions; NTS open access software; NTS data evaluation; NTS and quality management

(This special issue belongs to the Section Analytical Chemistry)

Design, Synthesis, and Catalytic Applications of Metal Complexes

edited by

Mei Wang

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1838 | Submission Open

Keywords: metal complex; metal-based material; catalysis: electrocatalysis; photocatalysis; thermocatalysis

(This special issue belongs to the Section Applied Chemistry)

Displaying special issue 701-750 on page 15 of 18.

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