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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 polices 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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Anticancer Computational Drug Discovery: New Approaches, New Targets, and New Treatments

edited by

H. Andy Zhong

submission deadline 15 Jan 2025 | 1 articles | Viewed by 868 | Submission Open

Keywords: anticancer; structure-based drug design; de novo drug design; artificial intelligence (AI); big data machine learning and virtual screening

(This special issue belongs to the Section Medicinal Chemistry)

Inorganic Photoresponsive Materials

edited by

Yi Xia

and Sufang He

submission deadline 15 Jan 2025 | Viewed by 283 | Submission Open

Keywords: photosensitive materials; design and synthesis; photocatalysis; gas sensor; optical device; biomedicine; biosensors; solar cells

(This special issue belongs to the Section Inorganic Chemistry)

Synthesis, Characterization and Application of Photocatalytic Materials

edited by

Tiekun Jia

and

Fei Long

submission deadline 30 Jan 2025 | 1 articles | Viewed by 1073 | Submission Open

Keywords: nanomaterials; nanocomposites; morphology modulation; vacancy engineering; band alignment; atomic modulation; waste water treatment; organic pollutant; water splitting

(This special issue belongs to the Section Photochemistry)

Bioactive Molecules and Drug Lead Compounds

edited by

Phurpa Wangchuk

submission deadline 31 Jan 2025 | 9 articles | Viewed by 47150 | Submission Open

Keywords: natural products; medicinal plants; small molecules of helminths; isolation of compounds; structure elucidation of novel compounds; metabolomics characterization; bioactivities; antimalarials; antimicrobials; anthelminthics; anti-inflammatories; toxicity

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

Featured Review Papers in Food Chemistry

edited by

Lin Lin

and

Adele Papetti

submission deadline 31 Jan 2025 | 9 articles | Viewed by 32071 | Submission Open

Keywords: food analysis; food additives; food supplements; functional foods; physicochemical properties; agro-food wastes recycling; bioaccessibility and bioavailability; food stability; food security

(This special issue belongs to the Section Food Chemistry)

Nutrition and Sensory Analysis of Food

edited by

Sylwia Mildner-Szkudlarz

and

Aldona Sobota

submission deadline 31 Jan 2025 | 8 articles | Viewed by 20721 | Submission Open

Keywords: bioactive compounds; phytochemicals; antioxidants; HPLC analysis; nutritional value; sensory properties/analysis

(This special issue belongs to the Section Food Chemistry)

Synthesis and Evaluation of Bioactivity of Enzyme Inhibitors

edited by Fen Er Chen and

Shuai Wang

submission deadline 31 Jan 2025 | 9 articles | Viewed by 19996 | Submission Open

Keywords: new targets; new mechanisms; new strategies; drug design; PROTACs

(This special issue belongs to the Section Medicinal Chemistry)

From a Molecule to a Drug: Chemical Features Enhancing Pharmacological Potential II

edited by

Giovanni Ribaudo

and

Laura Orian

submission deadline 31 Jan 2025 | 5 articles | Viewed by 19400 | Submission Open

Keywords: antioxidants; organic molecules; analytical chemistry; computer-aided drug design; drug discovery; molecular dynamics (MD); quantum mechanics (QM) calculations; reaction mechanisms

Bioproducts for Health III

edited by

Manuela Pintado

Ezequiel Coscueta

and

María Emilia Brassesco

submission deadline 31 Jan 2025 | 8 articles | Viewed by 19253 | Submission Open

Keywords: bioactive compounds; health applications; natural sources; purification; downstream processing; sustainability

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

Advanced Magnetic Resonance Methods in Materials Chemistry Analysis

edited by

Igor Serša

submission deadline 31 Jan 2025 | 8 articles | Viewed by 14129 | Submission Open

Keywords: molecular dynamics and transport phenomena in polymers; hardening reactions in materials; magentic resonance in analysis of pharmaceutical products; chemistry of wood and its products; thermal and other types of processing of foods; electrochemistry and transport phenomena in batteries

(This special issue belongs to the Section Materials Chemistry)

Design and Application Based on Versatile Nano-Composites

edited by

Jingang Yu

submission deadline 31 Jan 2025 | 6 articles | Viewed by 13839 | Submission Open

Keywords: nanoparticles; nanosheets; composites; preparation; application

(This special issue belongs to the Section Nanochemistry)

The Application of Microwave-Assisted Technology in Chemical Reaction

edited by

Yong Nie

and

Qinglong Xie

submission deadline 31 Jan 2025 | 8 articles | Viewed by 13694 | Submission Open

Keywords: microwave; process intensification; numerical simulation; thermal effect; non-thermal effect; reaction kinetics; heat transfer; microwave catalysis

(This special issue belongs to the Section Microwave Chemistry)

The Way Forward in MXenes Materials

edited by

Tej B. Limbu

and Asif Shahzad

submission deadline 31 Jan 2025 | 9 articles | Viewed by 13468 | Submission Open

Keywords: MAX phase; 2D MXene; MXene derivatives; fluoride-free synthesis; energy storage; EMI; photovoltaic cell; catalysis; water purification

(This special issue belongs to the Section Applied Chemistry)

Efficient Chemical Technologies and Adsorbents for Environmental Pollution Removal and Wastes Recycling II

edited by

Monika Wawrzkiewicz

and

Anna Wołowicz

submission deadline 31 Jan 2025 | 8 articles | Viewed by 13253 | Submission Open

Keywords: emerging pollutants; heavy metals; noble metals; dyes; adsorbents; removal; recovery; sorption; pyrometallurgical process; hydrometallurgical process; leaching methods; spent catalyst; electronic waste; wastewater treatment; advanced oxidation process; coagulation; flocculation; irradiation; membrane filtratio

(This special issue belongs to the Section Green Chemistry)

Recent Advances in the Field of Natural Product Synthesis: A Themed Issue in Honor of Professor Ari Mauri Petri Koskinen’s Retirement

edited by

Bruno Botta

and Trond Vidar Hansen

submission deadline 31 Jan 2025 | 7 articles | Viewed by 12242 | Submission Open

Keywords: natural products; synthesis; organocatalysis; enantiosynthesis; biotransformation; semisynthesis

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

Advanced Photocatalysts for Energy Conversion and Environmental Applications, 2nd Edition

edited by

Ruowen Liang

submission deadline 31 Jan 2025 | 9 articles | Viewed by 12038 | Submission Open

Keywords: photocatalyst; nano materials; metal– organic frameworks; environment; energy

(This special issue belongs to the Section Photochemistry)

Materials for Environmental Remediation and Catalysis

edited by

Loredana Maiuolo

and

Paola Costanzo

submission deadline 31 Jan 2025 | 5 articles | Viewed by 11807 | Submission Open

Keywords: wastewater; pollutants; composite materials; biomaterials; adsorption capacity; recovery; oxidation; reduction

(This special issue belongs to the Section Green Chemistry)

Bioactive Compounds in Food: Analysis and Human Health

edited by

Paraskevi Detopoulou

and

Haralabos Christos Karantonis

submission deadline 31 Jan 2025 | 3 articles | Viewed by 11643 | Submission Open

Keywords: bioactive peptides; polyphenols; food carotenoids; non-nutrients; probiotics; prebiotics; disease; nanoparticles

(This special issue belongs to the Section Medicinal Chemistry)

Chemical Analyses and Applications of Essential Oils

edited by

Anna Malm

and

Wirginia Kukula-Koch

submission deadline 31 Jan 2025 | 6 articles | Viewed by 11169 | Submission Open

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

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

Advances in Synthesis and Biological Activity of Novel Derivatives Based on Five-Membered Heterocyclic Scaffolds and Their Intermediates—Second Edition

edited by

Theodora Venera Apostol

George Mihai Nitulescu

and

Laura Ileana Socea

submission deadline 31 Jan 2025 | 7 articles | Viewed by 10471 | Submission Open

Keywords: bioactive heterocycles; heterocyclic scaffolds; bioisosteric heterocyclic skeletons; azoles; pyrazole; oxazole; triazole; oxadiazole; drug design; in silico studies

(This special issue belongs to the Section Organic Chemistry)

Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics, 3rd Edition

edited by

Anna Maria Almerico

and

Marco Tutone

submission deadline 31 Jan 2025 | 7 articles | Viewed by 10395 | 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 Medicinal Chemistry)

Molecular Targets and Drug Discovery for Metabolic Disorders: Challenges, Recent Developments, and Prospects

edited by

Rosanna Maccari

and

Rosaria Ottana

submission deadline 31 Jan 2025 | 3 articles | Viewed by 10376 | Submission Open

Keywords: metabolic disorders; drug design; drug discovery; drug synthesis; lead generation; lead optimization; molecular targets; structure– activity relationships

(This special issue belongs to the Section Medicinal Chemistry)

Advances in Composite Photocatalysts

edited by

Md. Abu Hanif

and

M. Shaheer Akhtar

submission deadline 31 Jan 2025 | 8 articles | Viewed by 10196 | Submission Open

Keywords: composite material; nanocomposite material; synthesis and characterization; photocatalysis; wastewater treatment; water splitting; organic pollutants; heterojunction

(This special issue belongs to the Section Photochemistry)

Advanced Electrochemical Methods in Molecular Detection

edited by

Roberta Antigo Medeiros

and

César Ricardo Teixeira Tarley

submission deadline 31 Jan 2025 | 7 articles | Viewed by 10025 | Submission Open

Keywords: electroanalysis of organic and inorganic molecules; electrochemical techniques; new electroanalytical methodologies; electrochemical sensors; electroactive materials; biosensors

(This special issue belongs to the Section Analytical Chemistry)

Electrochemistry of Organic and Organometallic Compounds

edited by

Angel A. J. Torriero

submission deadline 31 Jan 2025 | 5 articles | Viewed by 8882 | Submission Open

Keywords: electrochemistry; cyclic voltammetry; complexes; organic molecules

(This special issue belongs to the Section Electrochemistry)

Functional Nanomaterials in Green Chemistry, 2nd Edition

edited by

Zhaohui Liu

submission deadline 31 Jan 2025 | 9 articles | Viewed by 8243 | Submission Open

Keywords: functional nanomaterials; photocatalysis; clean energy; environmental catalysts; carbon neutrality; biomass conversion; heterogeneous catalysis

(This special issue belongs to the Section Green Chemistry)

Computational Chemistry Insights into Molecular Interactions

edited by Wim Buijs

submission deadline 31 Jan 2025 | 6 articles | Viewed by 8070 | Submission Open

Keywords: visualization; molecular mechanics; quantum mechanics; molecular dynamics; biomolecular modeling; drug development; catalysis; materials modeling; thermodynamics; method development; teaching

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

Applied Chemistry in Europe 2024

edited by

Rosa Iacovino

and Gianluca D'Abrosca

submission deadline 31 Jan 2025 | 4 articles | Viewed by 7891 | Submission Open

Keywords: industrial applications; nano-materials; environmental chemistry; chemical synthesis; green chemistry; theoretical chemistry; analytical methods

(This special issue belongs to the Section Applied Chemistry)

New Advances in Radiopharmaceutical Sciences

edited by

Elisabeth Eppard

submission deadline 31 Jan 2025 | 5 articles | Viewed by 7576 | Submission Open

Keywords: radiopharmacy/radiopharmaceuticals; radiochemistry; radionuclide therapy; theranostics; PET; SPECT; radiolabeling techniques; radionuclide production; nuclear medicine

(This special issue belongs to the Section Medicinal Chemistry)

Organic Synthesis and Medicinal Chemistry, Two Inseparable Partners: Recent Advances in Heterocyclic Chemistry

edited by

Graziella Tocco

submission deadline 31 Jan 2025 | 6 articles | Viewed by 7544 | Submission Open

Keywords: organic chemistry methods; organic synthesis; medicinal chemistry; heterocycles; drug discovery; in silico drug design; biologically active compounds

(This special issue belongs to the Section Medicinal Chemistry)

Raman Spectroscopy Analysis of Surfaces

edited by

Andrzej Kudelski

submission deadline 31 Jan 2025 | 5 articles | Viewed by 7199 | Submission Open

Keywords: Raman spectroscopy; characterization of various interfaces; SERS spectroscopy; applications

(This special issue belongs to the Section Analytical Chemistry)

Design, Synthesis and Biological Evaluation of Heterocyclic Compounds

edited by Sotiris S. Nikolaropoulos

submission deadline 31 Jan 2025 | 5 articles | Viewed by 7144 | Submission Open

Keywords: heterocycles; heterocyclic chemistry; biological profile; in silico design; natural products; pharmaceuticals; C– N/C– C bond formation

(This special issue belongs to the Section Organic Chemistry)

Isolation and Structure Determination of Bioactive Natural Products (2nd Edition)

edited by

Magdalena Ligor

and

Aleksandra Szydłowska-Czerniak

submission deadline 31 Jan 2025 | 4 articles | Viewed by 6614 | Submission Open

Keywords: primary and secondary plant metabolites; sample preparation methods; hyphenated analytical methods; natural product research; measuring biological activity; structure-activity relationships

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

Study on Synthesis and Photochemistry of Dyes

edited by Liang Han

submission deadline 31 Jan 2025 | 5 articles | Viewed by 6582 | Submission Open

Keywords: synthesis of dyes; photochemistry of dyes; organic dyes; functional organic dyes; photo-inducing materials; organic photoelectric materials

(This special issue belongs to the Section Photochemistry)

New Metal Catalysts for Sustainable Chemistry

edited by Wai Lun Man

submission deadline 31 Jan 2025 | 5 articles | Viewed by 6178 | Submission Open

Keywords: metal complexes; catalysis; mechanism; water splitting; CO2 reduction; C– H activation; O2 reduction; NH3 oxidation

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

Natural Products as Insecticidal Agents

edited by

Hélcio Silva Dos Santos

Emmanuel Silva Marinho

and Márcia Machado Marinho

submission deadline 31 Jan 2025 | 4 articles | Viewed by 5418 | Submission Open

Keywords: natural compounds; insecticidal agents; environment; agricultural production; insects

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

Chitosan-Based Materials and Its Potential in Cosmetic and Biomedical Applications

edited by

Katarzyna Lewandowska

submission deadline 31 Jan 2025 | 3 articles | Viewed by 5405 | Submission Open

Keywords: chitosan; chitosan derivatives; polysaccharides; biopolymers; films; hydrogels; hybrid materials; 3D porous structures; biomaterials; biopolymer blends; composites

(This special issue belongs to the Section Macromolecular Chemistry)

Carbon Nanomaterials: Synthesis and Application, 2nd Edition

edited by Pengxiang Hou and

Maoshuai He

submission deadline 31 Jan 2025 | 4 articles | Viewed by 5370 | Submission Open

Keywords: synthesis of carbon nanomaterials; energy storage and conversion; optoelectronics; electrothermal devices; composites; sensors; adsorption; catalysis

(This special issue belongs to the Section Materials Chemistry)

Surfactants at the Soft Interfacial Layer

edited by

Chi Phan

submission deadline 31 Jan 2025 | 4 articles | Viewed by 4639 | Submission Open

Keywords: surfactant; water surface; evaporation; emulsion; foaming

(This special issue belongs to the Section Physical Chemistry)

Synthesis and Applications of Zeolites and Related Porous Materials as Adsorbents and Catalysts

edited by

Alexandru Popa

and Orsina Verdeş

submission deadline 31 Jan 2025 | 3 articles | Viewed by 4550 | Submission Open

Keywords: mesoporous materials; zeolites; CO2 capture and utilization; environmental applications; physical and chemical characterizations of materials; catalytic reactions; heterogeneous catalysis

(This special issue belongs to the Section Materials Chemistry)

Chemistry of Nucleosides and Nucleotides and Their Analogues

edited by

Stefano D’Errico

Nicola Borbone

and

Andrea Patrizia Falanga

submission deadline 31 Jan 2025 | 2 articles | Viewed by 4401 | Submission Open

Keywords: nucleosides; nucleotides; and nucleic acids; modified nucleosides and nucleotides; nucleoside and nucleotide analogues; antimetabolites; oligonucleotides; organic synthesis; bioorganic chemistry; medicinal chemistry

(This special issue belongs to the Section Organic Chemistry)

Terpenes, Steroids and Their Derivatives (2nd Edition)

edited by

Pavel B. Drasar

and

Vladimir A. Khripach

submission deadline 31 Jan 2025 | 2 articles | Viewed by 4287 | Submission Open

Keywords: terpene and steroid chemistry; biochemistry; repurposing; and practical utilization; terpene and steroid derivative synthesis; isolation and analysis of terpenes and steroids; terpene and steroid medicinal as well as cosmetic utilization; fluorescent labeling; bio-imaging

Battery Chemistry: Recent Advances and Future Opportunities, the Second Edition

edited by

Liwen Tan

and

Jianjun Zhang

submission deadline 31 Jan 2025 | 6 articles | Viewed by 4271 | Submission Open

Keywords: electrochemistry; surface/interface chemistry; electrocatalytic reaction; oxygen reduction reaction; oxygen evolution reaction; quantum chemistry; materials chemistry; rechargeable batteries

(This special issue belongs to the Section Electrochemistry)

Analysis of Phytochemical Components, 2nd Edition

edited by

Vladimir A. Khripach

and

Pavel B. Drašar

submission deadline 31 Jan 2025 | 2 articles | Viewed by 3992 | Submission Open

Keywords: secondary metabolites’ analysis; column chromatography; HPLC; MS; NMR; analytical bio-testing; immunoassay analysis; plant metabolomics; separation methods; purity check; impurities analysis; degradation products analysis

(This special issue belongs to the Section Analytical Chemistry)

Recent Advances in Coordination Supramolecular Chemistry

edited by

Vicente Martí-Centelles

and

Avijit Kumar Das

submission deadline 31 Jan 2025 | 3 articles | Viewed by 3757 | Submission Open

Keywords: supramolecular chemistry; self-assembly; metal– organic assemblies; molecular architectures; supramolecular materials; chemosensors; selective detection; colorimetric and fluorometric sensors

(This special issue belongs to the Section Organometallic Chemistry)

QSAR and QSPR: Recent Developments and Applications, 4th Edition

edited by

Kok Hwa Lim

and

Bono Lučić

submission deadline 31 Jan 2025 | 3 articles | Viewed by 3738 | Submission Open

Keywords: ab initio; semi-empirical quantum chemical methods; topological; physicochemical; electronic descriptors; metal complexes; pharmacophore mapping; molecular docking; lead compound optimization

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

Recent Advances in Functional Composite Materials

edited by

Boon Peng Chang

submission deadline 31 Jan 2025 | 3 articles | Viewed by 3709 | Submission Open

Keywords: functional composites; material innovation; enhanced properties; nanotechnology; smart materials

(This special issue belongs to the Section Materials Chemistry)

Exploring Heterocyclic Compounds: Design, Synthesis, and Their Role in Cancer, Antimicrobial Activity, and COVID-19 Treatment

edited by

Sameh Abdelwahed

submission deadline 31 Jan 2025 | 2 articles | Viewed by 3658 | Submission Open

Keywords: heterocyclic compounds; cancer treatment; COVID-19 treatment; drug design; drug synthesis; molecular targets; antiviral agents; immunomodulation; targeted therapy; drug resistance; multi-target agents; medicinal chemistry; structure-activity relationship (SAR); computational modeling; pharmaceutical development; oncology; SARS-CoV-2; therapeutic agents

(This special issue belongs to the Section Organic Chemistry)

The Impact of Advances in Fermentation Processes on the Chemical Composition of the Final Product, 2nd Edition

edited by

Emilia Janiszewska-Turak

Anna Gramza-Michałowska

and

Katarzyna Pobiega

submission deadline 31 Jan 2025 | 5 articles | Viewed by 3422 | Submission Open

Keywords: lactic acid fermentation; alcoholic fermentation; fruits; vegetables; LAB

(This special issue belongs to the Section Food Chemistry)

New Trends in Developing Complexes as Biological Active Species II

edited by

Rodica Olar

submission deadline 31 Jan 2025 | 2 articles | Viewed by 3368 | Submission Open

Keywords: complex; transition metal ion; chelate ligand; antimicrobial; biofilm; antiproliferative activity; multi-resistant strains; biomolecule interaction; in vitro assay; in vivo assay; metallo-nuclease activity; docking simulation

(This special issue belongs to the Section Inorganic Chemistry)

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