The review aims to present a classification and applicability analysis of methods for preliminary molecular modelling for targeted organic, catalytic and biocatalytic synthesis. The following three main approaches are considered as a primary classification of the methods: modelling of the target – ligand coordination without structural information on both the target and the resulting complex; calculations

Photopharmacology is a field of medicine and pharmacology that uses light to selectively activate or deactivate pharmaceutical agents. This approach significantly enhances and localizes the drug action and, therefore, reduces its side effects. Apart from the bioactive moiety, any photopharmacological compound should contain a photoactive group that must absorb light at the desired wavelength and reorganize

The rapid progress in the chemistry of carboranes and other polyhedral boron compounds makes the development of methods for the synthesis of their various functional derivatives a high priority. The formation of cyclic oxonium derivatives followed by the ring opening is one of the most efficient methods for the preparation of these compounds. This review addresses the data on the use of the nucleophilic

Plant biomass is considered the main source of renewable carbon raw materials, which is a viable alternative to crude oil and natural gas and provides compounds with a low carbon footprint. The most promising direction for the conversion of biomass is the synthesis of 5-hydroxymethylfurfural, which is regarded as a platform chemical, the basis for the synthesis of valuable compounds, including monomers

Modern approaches to increasing the efficiency of solid-oxide fuel cells (SOFCs) based on electrolytic membranes with mixed conductivity are considered. These approaches are based on material-science concepts (expansion of the electrolytic domain boundary due to the doping of basic oxides and development of various composite materials) and various technological solutions (application of electron-blocking

In recent years, the key principles of the electric power industry have radically changed and the number of studies on the development of devices for electrical energy storage in a different form such as mechanical or chemical energy has rapidly increased. This review gives a brief description of these devices. The attention is focused on redox flow batteries (RFBs), a promising type of energy storage

The review addresses and highlights the main results of research on the physicohemical properties of single-phase and composite materials based on transition metal oxides in relation to their practical application as electrode materials for symmetrical solid oxide fuel cells. The electronic structures and thermodynamic stability of transition metal oxides with the perovskite structure are discussed

The review addresses the prospects of global hydrogen energy development. Particular attention is given to the design of materials for sustainable hydrogen energy applications, including hydrogen production, purification, storage, and conversion to energy. The review highlights the key role of oxide-supported metal or alloy nanoparticles as catalysts in the hydrogen production via the conversion of

The results of recent experimental studies of the influence of the size of oxide, carbide and sulfide nanoparticles on changes in their nonstoichiometry are analyzed and generalized. In relation to intrinsically nonstoichiometric titanium oxides and niobium and vanadium carbides, on the one hand, and stoichiometric silver sulfides, on the other hand, it is shown that a decrease in the particle size

The review considers the research and engineering works in selected fields of the physical chemistry of gas hydrates and gas hydrate technologies, mainly performed over the last 10–15 years. Data on the hydrate structures are given, including the structures formed during phase transitions at low temperatures, and on new hydrate structures that are formed under ultrahigh pressures. The dynamics of guest

The review presents data on the synthesis, structure, reactivity, and catalytic activity of alkyl derivatives of rare earth metals in the oxidation state +2 (Sm, Eu, Yb) and their analogues containing heavy alkaline earth metals (Ca, Sr, Ba). The synthetic aspects and structural features of this unique class of organometallic compounds, which contain highly reactive M–C bonds, including alkyl, α-silylmethyl

For the first time, the literature data on the methods of synthesis and reactivity of 3-(1-alkynyl)chromones are summarized and systematized. The main method for obtaining these compounds is the Sonogashira cross-coupling reaction of 3-halochromones with terminal acetylenes, and their most important chemical properties include the transformation into furans, reactions with dinucleophiles, ambiphilic

The revies focuses on low-molecular-weight plant metabolites (mono- and sesquiterpenes) exhibiting antiviral activity. Data on antiviral action of both essential oils and plant extracts and their components are provided. Structures of biologically active natural mono- and sesquiterpenoids as well as their derivatives showing a pronounced antiviral activity are presented. A special attention is given

The review aims to draw attention to the latest advances in the organoboron chemistry and therapeutic use of organoboron compounds. The synthetic strategies towards boron-containing compounds with proven in vitro and/or in vivo biological activities, including derivatives of boronic acids, benzoxaboroles, benzoxaborines and benzodiazaborines, are summarized. Approaches to the synthesis of hybrid structures

The review summarizes literature data on the methods for the introduction of fluorine atoms and fluoralkyl groups into different ligands to construct metathesis-active ruthenium carbene complexes. It also analyzes the influence of fluorinated ligands on the catalytic activity of the complexes. The choice, structure and positions of fluorinated substituents in NHC ligands are generally dictated by the

The review systematizes and summarizes data on the synthesis of structurally diverse cyclic ureas published over the last 10 years. Saturated and unsaturated monocyclic ureas, as well as fused heterocycles containing one urea moiety, are considered. Data on the biological activity of selected compounds of this type are provided. The synthetic approaches to cyclic carbamides are classified in terms

This is the first systematic review of the most relevant approaches to direct C(sp2)–H bond functionalization of azomethine derivatives. The scope of the applicability of various transformations is analyzed. The review assesses prospects of the application of this functionalization strategy in the multistep synthesis of valuable compounds for use in medicinal chemistry, materials science and related

The review summarizes and systematizes the [4+2]-cycloaddition reactions of o-quinone methides with electron-rich and electron-deficient olefins. The electron-rich substrates include vinyl ethers, vinyl sulfides, enamines, enamides, enols, furans, benzofurans and indoles, while the electron-deficient substrates are esters of unsaturated carboxylic acids, vinyl azides and quinones. Reactions with push-pull

Characteristic features of the Ostwald ripening in oil-in-water and water-in-oil macro- and nanoemulsions are analyzed. Methods for reducing the ripening rate are considered. It is shown that Ostwald ripening is especially relevant for nanoemulsions, and this is often the main process leading to degradation of nanoemulsions, thus limiting their practical applications. Considerable attention is paid

The preservation of DNA has attracted significant interest of scientists in diverse research fields from ancient biological remains to the information field. In light of the different DNA safekeeping requirements (e.g., storage time, storage conditions) in these disparate fields, scientists have proposed distinct methods to maintain the DNA integrity. Specifically, DNA data storage is an emerging research

This review aims to highlight significant progress in the calculation of 77Se NMR chemical shifts and spin – spin coupling constants involving selenium substantiated with a vast amount of experimental data. The material is arranged in two basic sections: the first one dealing with the calculation of 77Se NMR chemical shifts and the second one dealing with the computation of spin – spin coupling constants

Major trends in controlled radical polymerization (CRP) or reversible-deactivation radical polymerization (RDRP), the most efficient method of synthesis of well-defined homo- and copolymers with specified parameters and properties, are critically analyzed. Recent advances associated with the three classical versions of CRP: nitroxide mediated polymerization, reversible addition-fragmentation chain

The main achievements and development trends of the past 10–15 years related to the catalytic cyclopropanation of unsaturated compounds with diazomethane are integrated and analyzed. The attention is focused on the most efficient catalysts based on palladium compounds. Data on the effects of substrate structure and nature of catalyst components on the regio- and stereoselectivity of these reactions

The review considers general methods for the preparation of 3-amino-3-deoxy- and 4-amino-4-deoxyhexoses and their derivatives, including nitromethane condensation, reduction of 3- and 4-hexosulose oximes, epoxide opening with an azide ion, and nucleophilic substitution of sulfonates. The use of amino sugars of this type in the synthesis of natural carbohydrate-containing compounds and their analogues

The review summarizes and systematizes data on the methods for the preparation of chromeno[2,3-b]pyridines. Both multicomponent and pseudo-multicomponent synthetic approaches and one-pot transformations based on the reactions of carbonyl compounds, malononitrile or its derivatives, and CH-acids are considered. Examples of the use of various catalysts, microwave and ultrasonic radiation, as well as

The review addresses the possibility of obtaining Markovnikov and anti-Markovnikov isomers in the reactions of unsaturated hydrocarbons with organophosphorus and organosulfur compounds having P–H and S–H bonds using metal salts or complexes as catalysts. The bibliography includes 247 references.

Experimental and theoretical studies on aromatic nitrenes bearing from three to six unpaired electrons and having quartet, quintet, sextet or septet ground spin states, published in the last 15 years are analyzed. A comparative analysis of the magnetic properties of high-spin nitrenes and all other known high-spin organic molecules is performed. Promising areas of practical application of high-spin

Arylation methods based on the generation and use of aryl radicals have been a rapidly growing field of research in recent years and currently represent a powerful strategy for carbon – carbon and carbon – heteroatom bond formation. The progress in this field is related to advances in the methods for generation of aryl radicals. The currently used aryl radical precursors include aryl halides, aryldiazonium

The review summarizes advances in the development of low-molecular-weight ligands for G-quadruplex (G4) nucleic acid structures published in the past five years. Main chemical classes of these ligands (polyaromatic compounds, macrocyclic systems, metal complexes and heterocyclic derivatives) are considered. The chemical structures of the ligands and their influence on the stabilization of quadruplexes

Dedicated the memory of Akademician Valery Vasilievich Lunin, a friend, colleague, teacher, founder and leader of the research into application of supercritical fluids in chemistry. This review analyzes the rapidly developing applications of supercritical fluids, mainly supercritical carbon dioxide, in catalysis, chemistry of high-molecular-weight compounds, and medicinal chemistry in Russia and abroad

Lanthanides belong to the most important raw materials and are highly demanded in high-tech industry. Low-temperature electrochemical deposition of lanthanides and lanthanide-based alloys for recycling and obtaining functional materials can provide a real alternative to the currently used high-temperature electrolysis of molten salts. The review summarizes the advancements in the field of electrodeposition

Representative examples of the application of 3D printing in organic synthesis, biochemistry, biotechnology, analytical chemistry, pharmaceutics and chemical education are considered. It is shown that additive technologies open up new prospects for the development of these fields of science. The characteristics of widely used 3D printing methods (fused deposition modelling and stereolithography) are

This review summarizes and highlights the current state-of-the-art of research on chemical sensors and biosensors in liquid environment and neuromorphic devices based on electrolyte-gated organic transistors with the active semiconductor layer of organic π-conjugated materials (small molecules, oligomers and polymers). The architecture and principles of operation of electrolyte-gated organic transistors

The review describes the current state of research concerning detonation nanodiamonds, including production, methods of studying the properties and applications. The main achievements in the theory and practice of synthesis of detonation nanodiamonds over the past 15 years are addressed systematically; the influence of control factors on this process, performed using single or mixed explosives, are

The results of studies on the application of silicate glass fibre materials in catalysis are summarized and analyzed. Despite the very low noble metal content, catalysts based on these materials showed exceptionally high activities and selectivities in some catalytic reactions. This is due to specificity of the glassy state, which makes it possible, first, to confine highly dispersed palladium and

The review summarizes and analyzes the currently know data on the synthesis, molecular and electronic structures and magnetic properties of bi-, tri- and tetraradical complexes containing a diamagnetic metal ion and redox-active ligands in the paramagnetic form. The bibliography includes 193 references.

The evaluation of the significance of a chemical transformation addresses many factors, including such important characteristics as the number of chemical bonds formed in one step, the reaction time, labour intensity, the cost of reactants and catalysts and so on. The amount of waste produced in the reaction has also gained increasing importance in recent years. Multicomponent reactions (MCRs) occupy

A new approach was developed to synthesize transition metal complexes with nitroxides based on the simultaneous involvement of nitronyl nitroxide and imino nitroxide in the reaction with metal. It was shown that the reaction of a metal with nitronyl nitroxide can afford a metal complex containing two different radicals in the metal coordination sphere in the case when imino nitroxide is generated in

Data on the physicochemical characteristics, theoretical calculations, reactivity and synthetic methods for perimidines are summarized. Although perimidine and some of its simple 2-substituted derivatives were obtained by Sachs back in 1909, their chemistry and key physical properties remained unknown until the early 1970s. Subsequent studies revealed many fundamental features of the perimidine system

This review continues consideration of the regioselectivity problem in the catalyzed hydrofunctionalization of unsaturated organic compounds and addresses hydroamination of unsaturated hydrocarbons. Particular parts of the review deal with reactions of alkenes, alkynes, allenes and dienes. It is shown that the selectivity of hydroamination depends on the natures of the reactants and the catalyst. Conditions

The overlapping of tacrine and (–)-huperzine A templates yielded a family of highly potent cholinesterase inhibitors, so-called huprines. A relatively easy access to these compounds led to the development of dozens of huprine derivatives allowing to draw structure – activity relationship mainly for acetylcholinesterase and butyrylcholinesterase enzymes, but also with application to other biological

The sorption properties of polymers with a polyconjugated chain structure (polyaniline and polypyrrole) are considered. The molecular mechanism of sorption by these polymers of various compounds such as heavy metal ions, toxic organic compounds and micropathogens, which are the most hazardous and stubborn contaminants in water, is discussed. The use of such sorbents to purify water from micropathogens

The results of studies on polymer electrolytes for metal-ion batteries are analyzed and generalized. Progress in this field of research is driven by the need for solid-state batteries characterized by safety and stable operation. At present, a number of polymer electrolytes with a conductivity of at least 10−4 S cm−1 at 25 C were synthesized. Main types of polymer electrolytes are described, viz.,

This review covers most recent advances in computation of 19F NMR chemical shifts and spin – spin coupling constants involving 19F nucleus calculated at different levels of theory. It deals mainly with electronic and stereochemical effects influencing these parameters, with a special emphasis on practical applications of such calculations. For 19F NMR chemical shifts, a good deal of attention is focused

The results of studies on the hydrogen accumulation, storage and release systems differing in the type of hydrogen interaction with the material (medium) used for hydrogen storage are analyzed. Published data on the use of polycyclic hydrocarbons as the basis for hydrogen storage in a chemically bound state are summarized. Substrate-structure-dependent differences between the mechanisms of heterogeneous

Published data on the coordination compounds of group 5 metals with diimine type ligands are surveyed. Methods of synthesis, structural types, reactivity and properties of these compounds are summarized and systematized. Particular attention is paid to the redox, magnetic and catalytic properties and to biological activities of these complexes, which is important for understanding the areas of their

Syntheses of polyfunctional benzene derivatives from both cyclic and acyclic non-aromatic precursors are reviewed. Such aromatizations include transformations that use Diels – Alder reactions, transition metal-catalyzed reactions, base mediated aldol or Michael addition reactions or electrocyclic and pericyclic reactions. This review is limited to research that has been published since the last reviews

The ageing of the world’s population is the result of increased life expectancy observed in almost all countries throughout the world. Consequently, a rising tide of ageing-associated disorders, like cancer and neurodegenerative diseases, represents one of the main global challenges of the 21st century. The ability of mankind to overcome these challenges is directly dependent on the capability to develop

The review summarizes the publications, available at the time it was written, addressing the chemical and biological processes that occur in the human body upon exposure to coronaviruses, in particular SARS-CoV-2. The mechanisms of viral particle entry into the cell, viral replication and impact on the immune system and on oxygen transport system are considered. The causes behind complications of the

The review is devoted to cytokinins — classical plant hormones known for more than six decades. Nevertheless, different aspects of the action of cytokinins are still being investigated. Relevant studies produced interesting, often unexpected, results, which cast doubt on the old paradigms and open new prospects for the use of these phytohormones. Particular attention is given to recent advances in

The review is devoted to the fundamental problems of physical chemistry and rheology posed in the analysis of stability loss of polymer jets in extension. Studies of phenomena occurring in deformation of polymeric fluids are of considerable applied interest because extension of polymeric fluids underlies many industrial processes, first of all, fibre spinning. Studies of critical conditions of deformation

The review summarizes and systematizes the literature data on a new promising application area of iron compounds, that is, catalysis of organic reactions. The considered reactions include halogenation, formation of C−C bonds with the participation of various substrates, new methods for the synthesis of ethers and aromatic and heteroaromatic carboxylic acid esters, N-alkylation of aliphatic and aromatic

Current approaches to the synthesis of aromatic and heteroaromatic azamacrocycles and their derivatives are summarized and systematized. The relationship between the structure of azacrown compounds and their complexation behaviour towards metal cations is analyzed. The diversity of practical applications of azamacrocyclic derivatives in medicine, biology and analytical and organic chemistry, as well

Organic dyes are very promising substrates for modern sensing technologies. Their utility is based on the ‘push-pull’ polarization of a π-electron system, as well as their polyfunctionality. These properties make organic dyes capable of fluorescent sensory response to many analytes and provide different mechanisms of both fluorescence increase and fluorescence quenching. Specific organic reactions

Molecular design of magnetically active graphene nanoscale structures is an emerging field of research. The key goal of this research is to produce graphene nanoribbons and graphene quantum dots with specified electronic, optical and magnetic properties. The review considers methods for the synthesis of spin-labelled polycyclic aromatic hydrocarbons, which are homologous precursors of graphene nanostructures

Protonic ceramic fuel cells and electrolysis cells represent low- and intermediate-temperature electrochemical devices, which allow chemical-to-electrical energy conversion with very high efficiency and low environmental impact. In order to ensure the long-term operability of these devices, as well as to provide for their up-scaling, a number of existing challenges associated with chemical and thermal

The review summarizes the data on the chemical composition, crystal structure and functional properties of layered rare-earth hydroxides (LRHs), a new family of anion-exchangeable inorganic compounds. Comprehensive information is given on methods for the synthesis of LRHs including hydrothermal and hydrothermal-microwave treatment. Particular attention is paid to the methods of chemical design of hybrid

The development of methods for the selective oxidation of C–H groups of organic compounds resulting in C–O bond formation is a challenging problem in modern synthetic organic chemistry. Versatile methods for the oxofunctionalization of these groups are currently lacking. Approaches for the oxidation of benzylic C–H groups having a relatively weak C–H bond (the homolytic bond dissociation energy is

Dihydroazulene (DHA) is a molecular photoswitch that undergoes a ring-opening reaction upon irradiation to form a vinylheptafulvene (VHF) photoisomer. This VHF isomer will in time thermally return to the DHA isomer. As the isomerization is photo-induced only in one direction, the DHA – VHF couple has attracted interest as a molecular solar thermal energy storage device (MOST system). In this author

The review summarizes and systimatizes data on the stereochemistry, mechanisms and applications of electrophilic reactions of organophosphorus compounds. Asymmetric versions of the Michaelis – Arbuzov, Michaelis – Becker, Hirao, Staudinger, Pudovik and other reactions are considered. Key issues of asymmetric electrophilic catalysis are discussed. The reaction conditions, catalytic systems and structures