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Reductive coupling of nitroarenes with carboxylic acids – a direct route to amide synthesis
Organic and Biomolecular Chemistry. 2023. Vol. 21. No. 42. P. 8477–8481.
A simple and atom-efficient way to prepare amides directly from carboxylic acids and nitroarenes was developed. Carbon monoxide as a sole reducing agent provides the ultimate selectivity of the protocol. A straightforward and selective way for the preparation of amides from nitroarenes and carboxylic acids using carbon monoxide as a reductant was developed. This protocol does not require any non-gaseous additives, thus simplifying product isolation. Aliphatic carboxylic acid was modified in the presence of aromatic ones, and reducible functional groups such as C–C, Ar–Br, and R–NO2 were saved.
Budkov Y., Journal of Chemical Physics 2026 Vol. 165 No. 9 Article 094902
We derive the stress tensor of a flexible polymer solution within the Gaussian-chain self-consistent field theory (SCFT) without invoking the ground-state dominance (GSD) approximation. Starting from a covariant formulation of the single-chain partition function in a background metric, we obtain the symmetric stress tensor expressed through the full Edwards propagators. The result contains the local ...
Added: September 2, 2026
Belousov Y., Кискин М. А., Sidoruk A. et al., Australian Journal of Chemistry 2022 Vol. 75 No. 9 P. 572–580
Four new complexes [Ln(pfaa)3(H2O)2]n (Ln = Eu (1), Tb (2)) and [Ln2Cd2(pfaa)10 (phen)2(EtOH)2]·2MeCN (Ln = Eu (3), Tb (4), phen = 1,10-phenanthroline) based on pentaphorphenylacetic acid (Hpfaa) have been prepared and completely investigated. The structures of compounds 1 and 3 were studied by single crystal X-ray diffraction analysis: the isostructural complexes 1 and 2 represent ...
Added: August 26, 2026
Mazur D., Petr E. Brandyshev, Doronin S. et al., Electrochimica Acta 2026 Vol. 577 Article 149729
The electric double layer (EDL) at a single-crystal metal surface is controlled not only by the electrolyte composition and the electrode potential, but also by the atomic structure of the surface itself. This makes the Ag(hkl)/NaF interface a stringent test for continuum theories of the EDL. In the third part of our series, we examine ...
Added: August 20, 2026
Budkov Y., Kalikin N., Journal of Chemical Physics 2026 Vol. 165 Article 064506
A self-consistent statistical-mechanical theory of the Hall effect in electrolyte solutions is developed by extending the self-consistent Debye–Hückel–Onsager (SCDHO) framework to crossed electric and magnetic fields. The theory incorporates non-local ionic charge distributions via Slater-type form factors, regularizing the Coulomb interaction at short range, and accounts for dielectric friction through ion-specific coefficients, employing experimental values ...
Added: August 12, 2026
Novikov A., New Journal of Chemistry 2026 Vol. 50 P. 13931–13957
The rational design of coinage metal nanocarriers requires a mechanistic understanding of metal-drug binding and predictive descriptors that translate molecular interactions into design rules. Using DFT (B3LYP-D3BJ/def2-TZVP, SMD water), we systematically investigated the binding of 5-fluorouracil (5-FU) and levodopa (l-DOPA) to neutral and cationic homo- and heteronuclear dimers of Au, Ag, and Cu (Au2, Ag2, ...
Added: August 12, 2026
Voropaeva D., S. Novikova, I. Stenina et al., Solid State Ionics 2026 Vol. 445 Article 117288
Composite gel polymer electrolytes based on a perfluorinated sulfonic acid cation-exchange MF-4SC membrane
containing surface-sulfonated nanoparticles of aluminum oxide, cerium (IV) oxide, and titanium oxide (sAl2O3,
sCeO2, and sTiO2, respectively) were prepared by casting from a dispersion in N,N-dimethylformamide and
plasticized with a 1,3-dioxolane/1,2-dimethoxyethane mixture. The influence of the filler nature on ionic conductivity,
solvent uptake, activation energy, lithium ...
Added: July 30, 2026
Korogod D., Shapeev A., Ivan S. Novikov, Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 114 No. 2 Article 024104
We present two models with explicit long-range electrostatics in the form of Coulomb interactions. Both models include point charges depending on their local atomic environments, and the second model also conserves a total charge of an atomic system. We combine the proposed long-range models with the local moment tensor potential (MTP) and demonstrate that they ...
Added: July 22, 2026
Moshkina E., Molokeev M., Zolotov A. et al., Journal of Alloys and Compounds 2026 Vol. 1077 Article 189412
A wide series of substitutions in a subsystem of small radii cations M = Al, Cr, Fe, Ga, Sc is possible in rare-earth borates ReM3(BO3)4 with the huntite structure. However, the existence of these compounds where M = Mn still raises doubts. The study presents a synthetic approach developed in the framework of the flux method allowing for the required ...
Added: June 29, 2026
Schneider M., Zaripov D., Dokin R. et al., Journal of Chemical Theory and Computation 2026 Vol. 22 No. 9 P. 4405–4414
Density functional theory (DFT) is the workhorse of modern reactions and materials modeling. While the exact functional remains unknown, many approximations to it have been constructed either by hand-crafting functional forms to satisfy exact constraints or by machine learning. In this work, we show how both of these approaches can be fused to build both ...
Added: June 26, 2026
Laurinavichyute V., Levin E. E., Mironkova A. A. et al., Surfaces and Interfaces 2026 Vol. 81 Article 108389
In this work we characterize mixed Mo-W acidic deposition solutions with Mo content ranging from 0 to 100 mol.% by Raman and UV–Vis spectroscopy. The obtained distribution diagram of mixed isopolyanions allows one to explain the observed change in film deposition rate with increase in Mo content. It was found that the initial decrease in ...
Added: June 24, 2026
Filippova A. V., Yurchenko N. Y., Smirnov S. A. et al., Journal of Alloys and Compounds 2026 No. 1074 Article 189162
This study investigates the effects of post-processing heat treatment at 300–500 °C on the microstructure, hardness, and tensile properties of laser powder bed fusion (PBF-LB) processed Al-bronze processed with energy densities (ED) in the range of 125–938 J/mm3. In the as-printed state, sharp needle-like α + β′ laths form at lower ED whereas with increasing ED, the β′ ...
Added: June 12, 2026
Obijiofor O., Novikov A., New Journal of Chemistry 2026 Vol. 50 No. 23 P. 9749–9768
Rational design of gold-based nanocarriers for neurotherapeutics requires atomic-scale understanding of drug-material interactions. Density functional theory calculations were performed to investigate levodopa (L-DOPA) adsorption on small gold clusters (Au2–Au4) with cationic, neutral, and anionic charges, with additional validation on a larger Au10 cluster using multiple low-energy isomers. Binding free energies (ΔGbind), charge transfer, and electronic descriptors ...
Added: June 3, 2026
Das A., Saikia J., Maji N. et al., ChemNanoMat 2026 Vol. 12 No. 5 Article e202500733
Developing efficient photoactive materials from bio-derived resources is vital yet challenging for achieving effective water splitting performance. In this work, nano carbon dots (CDs) of zero-dimensional (0D) were synthesized from papaya peel through a simple and eco-friendly process and subsequently anchored onto the two-dimensional (2D) layered structure of graphitic carbon nitride (g-C3N4, GCN) at various ...
Added: June 2, 2026
Wary R. R., Mahato B., Sharma N. et al., The Journal of Physical Chemistry Letters 2026 Vol. 17 No. 17 P. 5099–5107
Development of heterojunction materials is an efficient approach for enhancing photocatalytic and photoelectrochemical processes. We develop a ZnO/CuO heterojunction via Cu doping into a ZnO matrix. Structural characterization confirmed that Cu was effectively incorporated into ZnO without any structural changes. The improved optical properties and reduced charge carrier recombination of the doped samples were confirmed ...
Added: June 2, 2026
Grzhegorzhevskii K., Haouas M., Lion M. et al., Chemical Communications 2023 Vol. 59 No. 1 P. 86–89
Noncovalent ionic interactions between nanosized Keplerate-type capsules {Mo132} and tetra-cationic porphyrins have been investigated in aqueous solution using small-angle X-ray scattering, 1H NMR and photophysical methods. These complementary multiscale methods reveal the formation of large hybrid oligomers built from a short-range organization in which the cationic porphyrin is glued onto the large POM surface. The local ...
Added: September 16, 2025
Балакина А. А., Приходченко Т. Р., Якушев И. А. et al., Известия Академии наук. Серия химическая 2023 Т. 72 № 7 С. 1618–1632
The structure of 3-hydroxy-6-methyl-2-ethylpyridinium nitroxysuccinate (2), its cytotoxicity, and its ability to influence the content of intracellular nitrogen monoxide, as well as the formation of reactive oxygen species and lipid peroxidation processes under conditions of induced oxidative stress were studied. It was demonstrated that compound 2 had low cytotoxicity in vitro in both non-cancerous and ...
Added: September 14, 2025
Nykhrikova E., Kiseleva M., Kalle P. et al., Inorganic Chemistry 2025 Vol. 64 No. 10 P. 5210–5220
Multifunctional compounds with properties that may be triggered by different external stimuli are highly desirable yet challenging in their design and synthesis. Herein, we report a cyclometalated iridium(III) complex based on bulky 1,2-diphenylphenanthroimidazole (C^N) that can easily change its molecular geometry from trigonal-bipyramidal to octahedral or from a monomeric to dimeric state in response to ...
Added: July 2, 2025
Evgeny V. Pospelov, Zhirov A., Kamidolla B. et al., Advanced Synthesis and Catalysis 2023 Vol. 365 No. 17 P. 2850–2857
A protocol for the synthesis of 2,3-dihydrofurans by reductive denitrogenation/ring contraction of 6-membered cyclic nitronates was developed. The process utilizes cheap Raney® nickel both as catalyst and stoichiometric agent without the need for high-pressure equipment. The products are formed in high purity and column chromatography is often not required. Studies on the substrate scope, functional ...
Added: October 27, 2023
Mikhail A. Losev, Kozlov A., Kharitonov V. et al., Organic and Biomolecular Chemistry 2023 Vol. 21 No. 42 P. 8477–8481
A straightforward and selective way for the preparation of amides from nitroarenes and carboxylic acids using carbon monoxide as a reductant was developed. This protocol does not require any non-gaseous additives, thus simplifying product isolation. Aliphatic carboxylic acid was modified in the presence of aromatic ones, and reducible functional groups such as CC, Ar–Br, and ...
Added: October 26, 2023
Evgeniya Podyacheva, Balalaeva A., Afanasyev O. et al., New Journal of Chemistry 2023 Vol. 47 P. 10514–10518
Current approaches to the reductive amination are often non selective, require complicated catalysts or not atom-economical. Application of syngas as a mild and selective reducing agent to aminate carbonyl compounds with unstable under hygrogenation conditions functional groups furnishing the broad substrate scope is demonstrated herein. Amino acid precursor and furfurylamine derivative were prepared indicating the ...
Added: October 25, 2023
Ikonnikova V., Zhigileva E., Al Mufti A. et al., Journal of Organic Chemistry 2023 Vol. 88 No. 14 P. 9737–9749
Added: August 18, 2023
Fedorova A., Trokhimovskiy A., Lefèvre F. et al., JOURNAL OF GEOPHYSICAL RESEARCH-PLANETS 2022 Vol. 127 No. 9 Article e2022JE007195
Carbon monoxide is a non-condensable gas in the Martian atmosphere produced by the photolysis of CO2. Its abundance responds to the condensation and sublimation of CO2 from the polar caps, resulting in seasonal variations of the CO mixing ratio. ACS onboard the ExoMars Trace Gas Orbiter have measured CO in infrared bands by solar occultation. Here ...
Added: May 23, 2023
Verma S., Dregulo Andrei Mikhailovich, Kumar V. et al., Energy 2023 Vol. 266 Article 126458
Bioenergy, as a perspective of the global energy paradigm, makes a significant contribution to the increase in global energy demand and the development of technologies for converting biomass into energy. Biomass gasification is the most preferred option for thermochemical processing. We conducted a comprehensive analysis of biomass gasification and concluded: 1) that the properties of ...
Added: January 10, 2023
Fatkulin A., Afanasyev O., Tsygankov A. et al., Journal of Catalysis 2022 Vol. 405 P. 404–409
Catalytic reductive reactions are essential for laboratory and industrial-scale organic synthesis. However, the nowadays trend is the development of new, progressively more complicated reducing systems, which hinders the application of such highly efficient approaches in practice. Another way to achieve highly active systems is enhancing the activity of the earlier developed catalysts with simple structures. ...
Added: January 11, 2022