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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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Modern Sample Preparation Approaches for Separation Science, 2nd Edition

edited by

Nuno Neng

submission deadline 30 Nov 2025 | Viewed by 98 | Submission Open

Keywords: sample preparation; enrichment techniques; sorption-based methods; virtual sample preparation; microextraction techniques; new analytical strategies; separation techniques

(This special issue belongs to the Section Analytical Chemistry)

Development and Applications of Single-Atom Catalysts

edited by

Mingjun Xiao

and Jin Xie

submission deadline 30 Nov 2025 | Viewed by 97 | Submission Open

Keywords: single-atom catalysts; catalytic mechanisms; electrocatalysis; photocatalysis; biocatalysis; green catalysis; nanocatalysis; catalytic reactions; catalyst design and synthesis; selectivity and activity; energy conversion; environmental catalysis

(This special issue belongs to the Section Organic Chemistry)

Phytochemicals from Agricultural Production By-Products and Wastes and Their Re-Use

edited by

Ailton Cesar Lemes

Ivaldo Itabaiana Junior

and

Débora de Oliveira

submission deadline 30 Nov 2025 | Viewed by 97 | Submission Open

Keywords: phytochemical recovery; agricultural by-products; sustainable valorization; circular economy; bioactive compounds; biorefinery processes

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

Advances in Heterocyclic Synthesis, 2nd Edition

edited by

Francesca Marini

submission deadline 30 Nov 2025 | Viewed by 87 | 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 83 | 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)

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 74 | Submission Open

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

(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 70 | 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

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 66 | Submission Open

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

(This special issue belongs to the Section Food Chemistry)

Biotechnology and Biomass Valorization

edited by

Chia-Hung Kuo

Yung-Chuan Liu

and Parushi Nargotra

submission deadline 30 Nov 2025 | Viewed by 65 | Submission Open

Keywords: biomass; conversion; utilization; enzyme; biological; microorganism; fermentation; high value-added product; biofuel; biogas; bioplastic; biochemical material; functional ingredient; bio-based material; metabolic engineering; synthetic biology; biorefining; bioresource; food waste; agricultural by-product; marine biological resource; extraction; purification; life cycle assessment (LCA)

(This special issue belongs to the Section Green Chemistry)

Advanced Materials for Photocatalytic and Photoelectrocatalytic Water-Splitting

edited by

Lagnamayee Mohapatra

submission deadline 30 Nov 2025 | Viewed by 65 | Submission Open

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

(This special issue belongs to the Section Materials Chemistry)

Applications of EPR Spectroscopy in Various Fields of Scientific Research

edited by

Yordanka Karakirova

submission deadline 30 Nov 2025 | Viewed by 62 | Submission Open

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

(This special issue belongs to the Section Analytical Chemistry)

Innovative Materials for Wastewater Treatment Applications

edited by

Anastasia D. Pournara

Manolis Manos

and

Dimosthenis Giokas

submission deadline 30 Nov 2025 | Viewed by 60 | 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 60 | Submission Open

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

(This special issue belongs to the Section Green Chemistry)

Novel Membranes and Coatings for Biomedical and Food Applications

edited by

Jurak Małgorzata

submission deadline 30 Nov 2025 | Viewed by 60 | 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)

Natural Bioactive Compounds from Traditional Asian Plants—Second Edition

edited by

Mikio Nishizawa

submission deadline 30 Nov 2025 | Viewed by 59 | Submission Open

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

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

DYRK Protein Kinases: Function and Inhibition

edited by

Isao Kii

submission deadline 30 Nov 2025 | Viewed by 58 | Submission Open

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

(This special issue belongs to the Section Chemical Biology)

Nutritional and Bioactive Components of Edible Parts of Medicinal Plants

edited by

Monika Kosmala

Elżbieta Karlińska

and Joanna Milala

submission deadline 30 Nov 2025 | Viewed by 56 | Submission Open

Keywords: herbs; dietary fiber; polyphenols; ellagitannins; antioxidants; minerals; gastrointestinal track

(This special issue belongs to the Section Food Chemistry)

Antitumor Bioactive Compounds: Synthesis, Extraction and Evaluation

edited by

Fatima Cerqueira

and

Rui Medeiros

submission deadline 30 Nov 2025 | Viewed by 54 | Submission Open

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

(This special issue belongs to the Section Medicinal Chemistry)

Progress in Nanomaterials for Pollutant Removal

edited by

Sriram Ganesan

submission deadline 30 Nov 2025 | Viewed by 48 | Submission Open

Keywords: nanomaterials; high surface area; surface modification; high removal efficiency; emerging contaminants; single and/or binary mixture; adsorption; degradation

Organometallic Photochemistry: A Commemorative Special Issue Honoring Professor Alistair Lees

edited by

Shih-Sheng Sun

submission deadline 30 Nov 2025 | Viewed by 47 | 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)

Functional Materials for Chemical Sensing in Molecules

edited by

Yi Xia

Qiuni Zhao

and Ming Hou

submission deadline 30 Nov 2025 | Viewed by 44 | Submission Open

Keywords: functional materials; sensing materials; nanomaterials; composites; design and synthesis; chemical sensing; gas sensors; humidity sensors; biosensors

(This special issue belongs to the Section Materials Chemistry)

Nanotechnology in the Development of Battery Materials

edited by

Tao Wang

, Xiaoli Fan and Xianguang Meng

submission deadline 30 Nov 2025 | Viewed by 44 | Submission Open

Keywords: nanotechnology; batteries; Li/Na/K/Ca/Mg/Al battery; fuel cell; metal-air battery; solar cell; solid-state battery

(This special issue belongs to the Section Nanochemistry)

Advances in Nonlinear Optical Molecular Materials

edited by Abdelkrim El-Ghayoury

submission deadline 30 Nov 2025 | Viewed by 43 | 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)

Physical–Chemical Interactions and Composition–Structure–Property Modifications During Food Processing

edited by

Emilia Janiszewska-Turak

Anna Gramza-Michałowska

and

Karolina Szulc

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

Keywords: structure; food; thermal properties; chemical composition

(This special issue belongs to the Section Food Chemistry)

Applications of Bioactive Ingredients in Grape By-products

edited by

Tzonka Ivanova Godjevargova

and Yavor Lukanov Ivanov

submission deadline 30 Nov 2025 | Viewed by 35 | Submission Open

Keywords: bioactive compounds; grape seeds; skins; and pomace; biological activity; application; medicine; cosmetics; pharmacy; food industry

(This special issue belongs to the Section Food Chemistry)

Advances in Transition Metal Catalysis for Organic Synthesis

edited by

Haibo Ge

and

Chong Liu

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

Keywords: transition metal catalysis; organometallic chemistry; organic synthesis; alkene functionalization; C-H functionalization

(This special issue belongs to the Section Organometallic Chemistry)

Physicochemical Research on Material Surfaces, 2nd Edition

edited by

Guiyong Xiao

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

Keywords: coating; surface modification; micro/nano structure; chemical functionalization; biomaterials; bioactivity

(This special issue belongs to the Section Physical Chemistry)

Molecular Recognition for the Detection of Food Contaminants

edited by Wenlei Zhai and Zhiyong Yan

submission deadline 30 Nov 2025 | Viewed by 31 | Submission Open

Keywords: food contaminants; molecular recognition; antibodies and aptamers; molecular probe and molecularly imprinted polymers; pesticides and veterinary drugs; mycotoxins; illegal additives; heavy metal ions and organic pollutants

(This special issue belongs to the Section Analytical Chemistry)

Biopolymer-Based Materials: Preparation, Properties and Applications

edited by

Gabriela Dudek

submission deadline 30 Nov 2025 | Viewed by 31 | Submission Open

Keywords: biopolymer; biopolymer based; material; preparation; processing; characterization; modification; physicochemical; mechanical; application; packaging; biomedical engineering; agriculture; environmental remediation

(This special issue belongs to the Section Green Chemistry)

From Biomass to High-Value Products: Processes and Applications

edited by

Sung Phil Mun

submission deadline 30 Nov 2025 | Viewed by 28 | 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)

Role of Computer Aided Drug Design in Drug Development, Second Edition

edited by

Murilo Lamim Bello

submission deadline 30 Nov 2025 | Viewed by 21 | Submission Open

Keywords: computer-aided drug design; molecular modeling and simulations; machine learning and artificial intelligence; drug synthesis pathway design; drug carriers design; drug crystal structures modeling

(This special issue belongs to the Section Medicinal Chemistry)

Insights into the Development of Molecular Simulations in Chemical Physics

edited by

Tomaž Urbić

submission deadline 30 Nov 2025 | Viewed by 21 | Submission Open

Keywords: molecular simulation; hydrogen bonds; integral equation theory; phase diagrams; Monte Carlo and molecular dynamics; lattice Boltzmann method

(This special issue belongs to the Section Physical Chemistry)

Synthesis and Characterization of Flame-Retardant Materials

edited by Shuilai Qiu

submission deadline 30 Nov 2025 | Viewed by 6 | Submission Open

Keywords: polymer; flame retardants; organic; inorganic; nanocomposite; enhancement; mechanism

(This special issue belongs to the Section Materials 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 47 | 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 56 | Submission Open

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

(This special issue belongs to the Section Green Chemistry)

Nano-Functional Materials for Sensor Applications—2nd Edition

edited by

Li Fu

and Aiwu Wang

submission deadline 15 Dec 2025 | 5 articles | Viewed by 13573 | Submission Open

Keywords: nano-functional materials; sensor applications; nanotechnology; fabrication techniques; sensing platforms; environmental monitoring; healthcare

(This special issue belongs to the Section Nanochemistry)

Recent Advances in Development of Small Molecules to Fight Cancer—2nd Edition

edited by

Giulia Bononi

and

Carlotta Granchi

submission deadline 15 Dec 2025 | 6 articles | Viewed by 9555 | Submission Open

Keywords: medicinal chemistry; drug discovery; anti-cancer drugs; natural products; synthetic compounds; synthesis; biological evaluation; cancer treatment

(This special issue belongs to the Section Medicinal Chemistry)

Synthesis, Characterization and Biological Evaluation of Metal Complexes

edited by

Jindra Valentová

Ladislav Habala

and

Jan Moncol

submission deadline 15 Dec 2025 | Viewed by 142 | Submission Open

Keywords: metal complexes; biological activity; anticancer; bioinorganic; anti-inflammatory; antimicrobial; Alzheimer's disease

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

Advances in Lignocellulosic Biomass

edited by

Lacrimioara Senila

submission deadline 15 Dec 2025 | Viewed by 102 | Submission Open

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

Nanocomposites in Electrochemical Analysis

edited by

Matías D. Regiart

and

Walter Ricardo Brito

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

Keywords: electrochemical; nanotechnology; sensors; microfluidics; nanocomposites; nanomaterials; biosensors

(This special issue belongs to the Section Nanochemistry)

Computational Studies and Drug Design

edited by

Elena Cichero

submission deadline 15 Dec 2025 | Viewed by 40 | Submission Open

Keywords: virtual screening; repositioning; multi-target compounds; molecular docking; pharmacophore modeling; ADMET

(This special issue belongs to the Section Medicinal Chemistry)

Nanomaterials: Design and Application in Photodegradation

edited by

Luciano Costa Almeida

submission deadline 15 Dec 2025 | Viewed by 28 | Submission Open

Keywords: heterostructures; photodegradation; semiconductor– semiconductor interface; water remediation; wastewater treatment

Recent Advances in Graphene-Based Materials

edited by

Raffaello Papadakis

and

Grazia Giuseppina Politano

submission deadline 16 Dec 2025 | Viewed by 69 | Submission Open

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

(This special issue belongs to the Section Materials Chemistry)

Molecular Strategies for the Synthesis of Drug-Like Bioactives

edited by

Beatrice Severino

and

Antonia Scognamiglio

submission deadline 16 Dec 2025 | Viewed by 50 | Submission Open

Keywords: drug-like bioactives; synthetic methodologies; green chemistry; multitarget ligands; PROTACs; molecular glues; biocatalysis; scaffold design; late-stage functionalization

(This special issue belongs to the Section Medicinal Chemistry)

Macromolecules, Particles, and Colloids in Ionic Liquids: Structure, Stability, and Function

edited by Qi Han, Zhengfei Chen and

Tamar Greaves

submission deadline 20 Dec 2025 | Viewed by 58 | Submission Open

Keywords: ionic liquids; macromolecules; colloids; self-assembly; nanoparticles; green solvents; soft matter

(This special issue belongs to the Section Molecular Liquids)

Re-Valorization of Waste and Food Co-Products

edited by

Adriana Dabija

and

Ancuța Chetrariu

submission deadline 20 Dec 2025 | 1 articles | Viewed by 57 | Submission Open

Keywords: by-products; valorization; reutilization; zero waste; application of functional ingredients; circular economy

(This special issue belongs to the Section Green Chemistry)

Design and Synthesis of Molecular Systems to Prepare Conductive Materials

edited by

Qianchong Zhang

Junyang Liu

and Tomoyuki Akutagawa

submission deadline 20 Dec 2025 | Viewed by 45 | Submission Open

Keywords: single-molecule conductance; quantum tunneling; molecular conductor; single crystal; charge transport; charge transfer complex; thin film; self-assembled monolayer; mesoscale conductor; polymer

(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 49 | 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)

Nanomaterials for Catalytic Upcycling/Conversion of Plastics/Biomass

edited by Lei Huang, Xiang Wang and Zhili Li

submission deadline 30 Dec 2025 | 1 articles | Viewed by 2055 | Submission Open

Keywords: plastic waste; upcycling; conversion; biomass conversion; biomass upgrading; lignin depolymerization; nanocatalysis; thermal catalysis

(This special issue belongs to the Section Nanochemistry)

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 1168 | 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)

Displaying special issue 601-650 on page 13 of 20.

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