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Cyclic Voltarefractometry of Single TiO2 Nanoparticles in Large Ensembles in Nonaqueous Electrolyte
Analytical Chemistry. 2025. Vol. 97. No. 2. P. 1160–1169.
Single nanoparticle (NP) cyclic voltarefractometry (CVR), realized as wide-field surface plasmon resonance microscopy (SPRM) in combination with potential cycling, has been proposed and applied to the in situ study of TiO2 NPs. Electrochemical activity of TiO2 is mainly observed outside the electrochemical stability window of water. Therefore, the response of individual anatase (a-TiO2) and rutile (r-TiO2) NPs adsorbed on a gold layer was studied in 0.25 M LiClO4 acetonitrile solutions. The use of acetonitrile allows us to exploit a much wider potential window compared to water, while due to the almost identical refractive index (nD = 1.344 and 1.333 for acetonitrile and water, respectively), the conditions of the SPR are not changed. This greatly expands the variety of electrochemical reactions that can be studied by SPR techniques. Cyclic polarization of a-TiO2 and r-TiO2 NPs results in pronounced electrochemical and optical responses around −1.55 V and around −1.8 V vs Fc+/Fc, respectively. This specific optoelectrochemical response allows them to be distinguished from other NPs. Based on this difference in characteristic potentials, a mixture of a-TiO2 and r-TiO2 NPs can be analyzed by CVR as well. The proposed correction algorithm compensates for the drift in the SPRM background caused by the accompanying formation of insoluble compounds and separates the optical response of the NPs out of the background. The results obtained in the study of this complex system demonstrate the capabilities of the developed analytical method. The CVR can be applied to the quantitative analysis of many other types of NPs in nonaqueous solutions, providing information on the electrochemical properties of each individual particle on the electrode surface.
Nazarov Alexey A., Dudarova N., Zhidkova O. et al., Journal of Photochemistry and Photobiology A: Chemistry 2026 Vol. 483 Article 117654
Сyclocondensation of phenyl, ortho-bromophenyl, para-phenylphenyl, para-methoxycarbonylphenyl, para-tolyl and para-methoxyphenyl boronic acid with curcumin in the presence of K3PO4 upon refluxing in 1,4-dioxane for 24 h leads to the formation of curcumin-based 2,2-diaryl-1,3,2-dioxaborines in good yields. The absorption-emission spectra of the synthesized fluorescent conjugates and 1,3,2-dioxaborine with para-biphenyl boronic substituent demonstrated the highest quantum yield. Among the compounds studied, conjugate curcumin with para-methoxycarbonylphenyl boronic substituent ...
Added: September 9, 2026
Chemical Papers 2026
Benzenoid hydrocarbons are structurally regular aromatic compounds, which makes them well suited for quantitative structure–property relationship (QSPR) studies. This study presents a QSPR analysis of nineteen benzenoid hydrocarbon species using degree-based topological co-indices. We developed a Python program to compute eleven degree-based topological co-indices from molecular graphs and evaluated their ability to explain variations in ...
Added: September 8, 2026
Gurina D., Fashchevsky K. A., Oparin R. D. et al., Surfaces and Interfaces 2026 Vol. 98 Article 110545
In this work, we combine experimental characterization and molecular dynamics (MD) simulations to elucidate the molecular mechanisms governing the impregnation of mefenamic acid (MFA) into nanocrystalline cellulose (NCC) aerogels. NCC aerogels were impregnated with MFA in scCO2, and low-temperature nitrogen adsorption revealed a concentration-dependent decrease in surface area, pore volume, and pore size, with an ...
Added: September 8, 2026
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
Novikov A., Polyhedron 2026 Vol. 299 Article 118358
Two new supramolecular halometalate hybrid complexes, (H2bpen){[MCl5](I2)} (M = Sb(III) (1) and Bi(III) (2); bpen – 1,2-Bis(4-pyridyl)ethylene, have been prepared. Despite very close similarity of the nature of cations, they reveal significant structural difference from the (H2bpe){[MCl5](I2)} (bpe – 1,2-bis(4-pyridil)ethane) reported earlier. We discuss these features, along with thermal stability, optical properties as well as Raman spectra ...
Added: September 2, 2026
Meng K., Vasenko A., Chulkov E. et al., The Journal of Physical Chemistry Letters 2026 Vol. 17 No. 36 P. 10546–10554
Data-driven discovery of sodium-ion cathodes is often limited by small data sets and the poor interpretability of graph neural networks (GNNs). Here, we developed Symbol_ETR, an interpretable framework combining symbolic regression with ensemble learning. By constructing explicit nonlinear descriptors, symbolic regression extra trees regression (Symbol_ETR) achieves a test R2 of 0.90 for average voltage prediction ...
Added: August 29, 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
Obijiofor O., Alexander S. Novikov, New Journal of Chemistry 2026 Vol. 50 No. 33 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
Soldatova A., Сберегательное дело за рубежом 2022 Т. 3 С. 47–57
Against the background of growing interest of private investors in stock market instruments, the concept of an "all-weather" or "eternal" portfolio is becoming popular. This article examines the origins of modern portfolio theory, analyzes the features of the formation of an "all-weather" portfolio depending on the stages of the economic cycle, and provides indicators for ...
Added: July 8, 2025
Bondarenko K., Санников О. А., Пространственная экономика 2025 Т. 21 № 1 С. 136–162
The paper discusses current development of the world financial system through the processes of transforming its architecture or stabilizing the existing model. The study is based on the data on international trade and international reserves of different countries of the world (both developing and developed), as well as on the structure of financial claims (assets) ...
Added: March 14, 2025
Samoilova O., Pratskova S., Shaburova N. et al., Materials Letters 2023 Vol. 350 Article 134932
The microstructure, phase composition, and corrosion behavior of Al0.25CoCrFeNiCu0.25 and Al0.25CoCrFeNiCu0.25Au0.1 high-entropy alloys (HEAs) in a 0.5 M H2SO4 solution have been studied. The Al0.25CoCrFeNiCu0.25Au0.1 HEA demonstrates a high corrosion resistance with a corrosion current density of Icorr = (8.46 ± 0.05) μA/cm2. Introducing a small amount of gold is a promising method for obtaining corrosion-resistant HEAs. ...
Added: February 18, 2025
Kolosova O., Efremenko Y., Laurinavichyute V. et al., ACS Applied Nano Materials 2024 Vol. 7 No. 10 P. 11120–11135
Polythiophenboronic acid (PThBA) combines anaffinity for saccharides with the unique properties of conductingpolymers. This polymer was synthesized by enzymatic catalyzedoxidative polymerization, characterized by UV−vis spectroscopy insolvents of different polarity and by 1H NMR. A suspension ofPThBA nanoparticles (PThBA NPs) was prepared by injecting amethanol solution of PThBA into an aqueous electrolyte. PThBANPs were characterized by ...
Added: December 1, 2024
Yaremenko I., Belyakova Y., Radulov P. et al., Journal of the american chemical society 2022 Vol. 144 No. 16 P. 7264–7282
Added: October 30, 2024
Yaremenko I., Fomenkov D., Budekhin R. et al., Journal of Organic Chemistry 2024 Vol. 89 No. 8 P. 5699–5714
Four heteroatoms dance in the cascade of four pericyclic reactions initiated by ozonolysis of C═N bonds. Switching from imines to semicarbazones introduces the fifth heteroatom that slows this dance, delays reaching the thermodynamically favorable escape path, and allows efficient interception of carbonyl oxides (Criegee intermediates, CIs) by an external nucleophile. The new three-component reaction of ...
Added: June 3, 2024
Bardina E., Makotchenko E., Kirill P. Birin et al., CrystEngComm 2023 Vol. 25 No. 33 P. 4755–4767
Gold(III) porphyrinates have been extensively studied due to their high stability and anticancer activity. Less attention has been paid to the structural features of such compounds. In this work, a new gold(III) complex [Au(TBPP)][AuCl4] (1) was synthesized in high yield starting from 5,10,15,20-tetrakis(4-butoxyphenyl)porphyrin (TBPPH2). The compound was characterized by IR, 1H NMR and UV-vis spectroscopy, ...
Added: January 23, 2024
Mukhangali S., Neplokh V., Kochetkov F. et al., Applied Physics Letters 2022 No. 121 Article 243504
This paper demonstrates an elastic (i.e., both flexible and stretchable) pixel matrix based on the patterned films of single-walled carbon nanotubes, which were obtained using optical lithography and plasma etching. The proposed elastic electrodes maintain their initial resistivity at 10% stretching. We also demonstrate an application of the elastic pixel matrix to an array of ...
Added: December 14, 2022