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Chemistry
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Celebrating the 50th Anniversary of Professor Valentine Ananikov
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Celebrating the 50th Anniversary of Professor Valentine Ananikov

A special issue of Chemistry (ISSN 2624-8549).

Deadline for manuscript submissions: 15 May 2026 | Viewed by 9927

Special Issue Editors

Prof. Dr. Mikhail P. Egorov

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Guest Editor
N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow 119991, Russia
Interests: organic chemistry; reaction mechanisms; element organic chemistry; physical chemistry and modeling
Prof. Dr. Igor Alabugin

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Guest Editor
Department of Chemistry and Biochemistry, Florida State University, Tallahassee, FL 32306, USA
Interests: chemical reactivity; organic; organometallic; main group chemistry; reaction mechanisms; carbon-rich materials; stereoelectronic effects; radical transformations; organic photochemistry; electron and hole upconversion
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Vladimir Ya. Lee

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Guest Editor
Department of Chemistry, Institute of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8571, Ibaraki, Japan
Interests: organic; main group element; inorganic chemistry; low-coordinate derivatives (cations, radicals, anions, carbenes, multiply bonded species); aromaticity; clusters; transition metal complexes; cross-coupling reactions; nanoparticles

Special Issue Information

Dear Colleagues,

We are pleased to announce a Special Issue in Chemistry dedicated to celebrating the 50th birthday of Professor Valentine P. Ananikov.

Professor Ananikov is internationally recognized for his groundbreaking work in catalysis, organometallic chemistry, reaction mechanisms, and molecular imaging. His research has advanced our understanding of transition metal catalysis, reaction kinetics, and nanostructured materials, leading to broad applications in organic synthesis, sustainable chemistry, and energy conversion technologies. He is well known for the introduction of the concepts of “cocktail”-type catalysis and “4D catalysis”. His innovative approaches have set new standards in mechanistic studies and led to molecular-level insights into chemical transformations. In addition to his extensive contributions to traditional chemistry, Professor Ananikov has played a key role in integrating artificial intelligence (AI) into chemical research. His work in AI-driven reaction prediction, cheminformatics, and automated catalyst design has led to new data-driven approaches to molecular modeling and synthetic planning. His advancements in machine learning for reaction mechanisms and AI-enhanced spectroscopy interpretation have laid the foundation for the next generation of computational chemistry researchers.

This Special Issue will honor Professor Ananikov’s scientific legacy by gathering cutting-edge research and critical reviews in the following fields:

  • Catalysis and reaction mechanisms;
  • Organometallic and C-H activation;
  • Computational and experimental approaches to chemical reactivity;
  • Sustainable synthesis and green chemistry;
  • Innovations in spectroscopic and imaging techniques for catalysis;
  • Applications of artificial intelligence in chemistry (including AI-driven reaction design, machine learning for reaction mechanisms, and AI-assisted spectroscopy).

We invite researchers from around the world to contribute original research articles, reviews, and perspectives reflecting the latest advancements in these fields. This Special Issue will serve as a tribute to Professor Ananikov’s remarkable scientific achievements and a platform for discussing future directions in catalysis, AI in chemistry, and reaction science.

We look forward to your contributions to celebrating Professor Valentine Ananikov’s 50 years of impact in the chemical sciences.

For further inquiries, please contact Igor Alabugin, Vladimir Lee, and Mikhail Egorov.

Prof. Dr. Mikhail P. Egorov
Prof. Dr. Igor Alabugin
Prof. Dr. Vladimir Ya. Lee
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Chemistry is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1800 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Publisher’s Notice

The Special Issue, together with its publications, has been removed from Section Catalysis on 23 October 2025. The publications remain available in the regular issues in which they were originally published. The Editorial Office confirms that these articles adhered to MDPI's standard editorial process (https://www.mdpi.com/editorial_process).

Keywords

  • catalysis
  • artificial intelligence
  • reaction mechanisms
  • sustainable chemistry
  • transition metals
  • clusters
  • nanoparticles
  • alkynes

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Published Papers (7 papers)

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Research

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13 pages, 15558 KB  
Article
A Bacteria Sol–Gel Template Approach to Form Palladium Core–Shell Catalysts for Suzuki–Miyaura Reactions
by Vitaliy N. Soromotin, Pavel V. Rybochkin, Violetta A. Pertseva and Olga A. Kamanina
Chemistry 2025, 7(6), 188; https://doi.org/10.3390/chemistry7060188 - 25 Nov 2025
Viewed by 282
Abstract
This study presents a sustainable and efficient method for fabricating core–shell structured palladium catalysts using a bacterial template and sol–gel synthesis. This synthesis aligns with green chemistry principles by minimizing waste and enhancing resource efficiency. Our results demonstrate that the bacterial template effectively [...] Read more.
This study presents a sustainable and efficient method for fabricating core–shell structured palladium catalysts using a bacterial template and sol–gel synthesis. This synthesis aligns with green chemistry principles by minimizing waste and enhancing resource efficiency. Our results demonstrate that the bacterial template effectively stabilizes Pd nanoparticles (NPs), preventing significant agglomeration during synthesis and subsequent calcination under different atmospheres and final temperatures. The catalyst samples were characterized by SEM, TEM, XRD, and TGA. The 1 wt% Pd/R@SiO2 catalyst exhibited high activity in the Suzuki–Miyaura cross-coupling reaction, achieving competitive yields. Furthermore, the catalyst demonstrated a stable performance over five consecutive cycles. This work underscores the potential of biotemplated synthesis as a versatile and eco-friendly platform for producing high-performance, tunable catalysts. Full article
(This article belongs to the Special Issue Celebrating the 50th Anniversary of Professor Valentine Ananikov)
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13 pages, 5736 KB  
Article
Unexpectedly High Acidity of Water-Soluble Phosphacoumarins
by Timur Yu. Ivanenko, Alena V. Zalaltdinova, Klara Kh. Darmagambet, Marina A. Gerasimova, Yulia M. Sadykova, Valeriy D. Levandovski, Almir S. Gazizov, Nurgali I. Akylbekov, Nurbol O. Appazov, Alexander R. Burilov and Maxim A. Lutoshkin
Chemistry 2025, 7(6), 175; https://doi.org/10.3390/chemistry7060175 - 3 Nov 2025
Viewed by 552
Abstract
In this work, we report the one-pot synthesis and characterization of four water-soluble 2-hydroxybenzo[e][1,2]oxaphosphinine 2-oxides. The compounds were obtained by cascade reactions of (2-ethoxyvinyl)phosphonic dichloride with phenol or naphthol derivatives, and their acid–base, structural, and photophysical properties were investigated using a combination of [...] Read more.
In this work, we report the one-pot synthesis and characterization of four water-soluble 2-hydroxybenzo[e][1,2]oxaphosphinine 2-oxides. The compounds were obtained by cascade reactions of (2-ethoxyvinyl)phosphonic dichloride with phenol or naphthol derivatives, and their acid–base, structural, and photophysical properties were investigated using a combination of experimental and computational methods. These compounds exhibit UV–vis absorption maxima at 209–341 nm and fluorescence maxima at 300–394 nm. Notably, these cyclic phosphonic acids exhibit unusually strong acidity with pKa values from −1.3 to 0, comparable to mineral acids; complete protonation is not achieved even in concentrated HCl. The acidity trends and spectra were further analyzed by DFT using both explicit and implicit solvation models. Full article
(This article belongs to the Special Issue Celebrating the 50th Anniversary of Professor Valentine Ananikov)
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8 pages, 702 KB  
Communication
Organogold(III) Complexes with Chelating Thiourea-Type Ligands
by Suelen Ferreira Sucena, Adelheid Hagenbach and Ulrich Abram
Chemistry 2025, 7(6), 174; https://doi.org/10.3390/chemistry7060174 - 3 Nov 2025
Viewed by 444
Abstract
The gold(III) starting material [Au(damp-κC1,N)Cl2] (Hdamp = 2-(dimethylaminomethyl)benzene) reacts with the thiourea-type ligands 3,3-diethyl-1-benzoylthiourea (HL1) or N-(3,3-diethylamino-thiocarbonyl)-N′-(2-hydroxyphenyl)benzamidine (H2L2) under formation of the gold(III) cations [Au(damp-κC1,N)(L1-κS [...] Read more.
The gold(III) starting material [Au(damp-κC1,N)Cl2] (Hdamp = 2-(dimethylaminomethyl)benzene) reacts with the thiourea-type ligands 3,3-diethyl-1-benzoylthiourea (HL1) or N-(3,3-diethylamino-thiocarbonyl)-N′-(2-hydroxyphenyl)benzamidine (H2L2) under formation of the gold(III) cations [Au(damp-κC1,N)(L1-κS,O)]+ (1) and [Au(Hdamp-κC1)(L2-κS,N,O)]+ (2). The products have been isolated in crystalline form as their PF6− salts and studied by X-ray diffraction and spectroscopic methods. The preservation of the gold(III) oxidation state and the square-planar coordination spheres in the products is most probably due to the formation of chelate rings by the incoming ligands and the presence of the Au–C bond to the phenyl rings of the damp− or Hdamp ligands. Full article
(This article belongs to the Special Issue Celebrating the 50th Anniversary of Professor Valentine Ananikov)
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20 pages, 2038 KB  
Article
Terpene-Functionalized 3,5-Bis(benzylidene)-4-piperidones: Synthesis, Cytotoxicity Properties, In Silico and In Vitro Studies
by Yulia Aleksandrova, Margarita Neganova, Anipa Tapalova, Anastasiya Sokolova, Alexey Rodionov, Inna Shagina, Nurbol Appazov and Valery Brel
Chemistry 2025, 7(5), 167; https://doi.org/10.3390/chemistry7050167 - 13 Oct 2025
Viewed by 617
Abstract
To develop new hybrid anticancer agents, 3,5-bis(benzylidene)-4-piperidone scaffolds (compounds 1–6) were functionalized with (1R)-borneoyl chloroacetate (8) or (1S)-camphorsulfonyl chloride (10). Covalent attachment of the camphorsulfonyl moiety via N-sulfonylation yielded hybrid molecules ( [...] Read more.
To develop new hybrid anticancer agents, 3,5-bis(benzylidene)-4-piperidone scaffolds (compounds 1–6) were functionalized with (1R)-borneoyl chloroacetate (8) or (1S)-camphorsulfonyl chloride (10). Covalent attachment of the camphorsulfonyl moiety via N-sulfonylation yielded hybrid molecules (16–21) that exhibited selective cytotoxic and cytostatic activity against cancer cells, with submicromolar IC50 values. In silico ADME analysis indicated that these camphorsulfonyl-conjugated piperidones have improved drug-like properties (enhanced absorption, metabolism, and bioavailability) compared to curcumin. The most potent analogs were halogen-substituted and trimethoxy-substituted analogs, which showed the strongest tumor cell growth inhibition while sparing normal cells. Overall, this terpene-functionalization strategy addresses curcumin’s pharmacokinetic limitations and improves its anticancer profile. These hybrid molecules hold promise as potential anticancer agents. Full article
(This article belongs to the Special Issue Celebrating the 50th Anniversary of Professor Valentine Ananikov)
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19 pages, 2471 KB  
Article
Thiol-Epoxy Click Chemistry: The Synthesis of Vicinal Amino Alcohols Containing a 1,2,4-Triazole Ring
by Artyom V. Petrosyan, Astghik A. Shahkhatuni, Andranik M. Davinyan, Karine S. Avetisyan, Tariel V. Ghochikyan, Melanya A. Samvelyan, Valentine G. Nenajdenko and Armen S. Galstyan
Chemistry 2025, 7(2), 53; https://doi.org/10.3390/chemistry7020053 - 1 Apr 2025
Cited by 2 | Viewed by 4565
Abstract
As examples of “Click Chemistry”, the reaction of 1-(oxiran-2-ylmethyl)piperidine with several 1,2,4-triazoles derivatives was studied. As a result, the reaction shows that the oxirane ring opens regiospecifically, according to Krasusky’s rule, without using a catalyst. The basic nitrogen present in 1-(oxiran-2-ylmethyl)piperidine has a [...] Read more.
As examples of “Click Chemistry”, the reaction of 1-(oxiran-2-ylmethyl)piperidine with several 1,2,4-triazoles derivatives was studied. As a result, the reaction shows that the oxirane ring opens regiospecifically, according to Krasusky’s rule, without using a catalyst. The basic nitrogen present in 1-(oxiran-2-ylmethyl)piperidine has a catalytic (anchimer) effect. Full article
(This article belongs to the Special Issue Celebrating the 50th Anniversary of Professor Valentine Ananikov)
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Review

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41 pages, 5530 KB  
Review
The Role of Surface Chemistry in Carbon-Supported Metal-Catalyzed Processes of Fine Organic Synthesis
by Linda Zh. Nikoshvili, Elena S. Bakhvalova and Mikhail G. Sulman
Chemistry 2025, 7(6), 198; https://doi.org/10.3390/chemistry7060198 - 11 Dec 2025
Viewed by 168
Abstract
At present, various carbon materials are available as supports for metal-containing catalytic species. Carbon-based materials find application in many industrial heterogeneous catalytic processes, such as selective hydrogenation, oxidation, cross-coupling, etc. The simplicity of preparation, low cost, high stability, and the possibility of tuning [...] Read more.
At present, various carbon materials are available as supports for metal-containing catalytic species. Carbon-based materials find application in many industrial heterogeneous catalytic processes, such as selective hydrogenation, oxidation, cross-coupling, etc. The simplicity of preparation, low cost, high stability, and the possibility of tuning surface composition and porosity cause the widespread use of metal catalysts supported on carbon materials. The surface chemistry of carbon supports plays a crucial role in catalysis, since it allows for control over the sizes of metal particles and their electronic properties. Moreover, metal-free functionalized carbonaceous materials themselves can act as catalysts. In this review, we discuss the recent progress in the field of the application of carbon supports in catalysis by metals, with a focus on the role of carbon surface functionalities and metal-support interactions in catalytic processes used in fine organic synthesis. Among carbon materials, functionalized/doped (O, N, S, P, B) activated carbons, graphenes, carbon nanotubes, graphitic carbon nitride, and carbonizates of polymers are considered supports for mono- and bimetallic nanoparticles. Full article
(This article belongs to the Special Issue Celebrating the 50th Anniversary of Professor Valentine Ananikov)
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20 pages, 5044 KB  
Review
Cocktail of Catalysts: A Dynamic Advance in Modern Catalysis
by Mikhail P. Egorov, Vladimir Ya. Lee and Igor V. Alabugin
Chemistry 2025, 7(4), 109; https://doi.org/10.3390/chemistry7040109 - 26 Jun 2025
Viewed by 2008
Abstract
Cocktail-type catalysis represents a significant shift in the understanding of catalytic processes, recognizing that multiple interconverting species—such as metal complexes, clusters, and nanoparticles—can coexist and cooperate within a single reaction environment. Originating from mechanistic studies on palladium-catalyzed systems, this concept challenges the classical [...] Read more.
Cocktail-type catalysis represents a significant shift in the understanding of catalytic processes, recognizing that multiple interconverting species—such as metal complexes, clusters, and nanoparticles—can coexist and cooperate within a single reaction environment. Originating from mechanistic studies on palladium-catalyzed systems, this concept challenges the classical division between homogeneous and heterogeneous catalysis. Instead, it introduces a dynamic framework where catalysts adapt and evolve under reaction conditions, often enhancing efficiency, selectivity, and durability. Using advanced spectroscopic, microscopic, and computational techniques, researchers have visualized the formation and transformation of catalytic species in real time. The cocktail-type approach has since been extended to platinum, nickel, copper, and other transition metals, revealing a general principle in catalysis. This approach not only resolves long-standing mechanistic inconsistencies, but also opens new directions for catalyst design, green chemistry, and sustainable industrial applications. Embracing the complexity of catalytic systems may redefine future strategies in both fundamental research and applied catalysis. Full article
(This article belongs to the Special Issue Celebrating the 50th Anniversary of Professor Valentine Ananikov)
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