Abstract Porous materials have gained significant attention in recent years as a class of material exhibiting interesting chemical and physical properties. The existing methods of porosity analysis have limitations that prevent absolute porosity measurement. Hence, a technique independent of surface physical properties alone can give the absolute porosity of the material. The porosity greatly influences

Abstract The phase formation in Na3REE(PO4)2–Na3REE(VO4)2 (REE = Gd, Y) systems in the 873–1573 K temperature range was investigated by XRD and DSC methods. Formation of two solid solutions based on both compounds was revealed. Endothermic effects corresponding to structural phase transformations and melting of samples were registered.

Abstract In this study, the energy parameters such as Slater–Condon (FK) factor, Lande spin-orbit coupling constant (\({{\xi }_{{4f}}}\)), nephelauxetic ratio (β), bonding parameter (b1/2), and percent covalency (δ), have been evaluated involving the interaction between Nd(III) and Pr(III) with DL-serine by using their absorption spectra as a probe. The effect of Zn(II) was also investigated on their

Abstract The apatite-like Pb9Pr(GeO4)3(VO4)3 and Pb9Sm(GeO4)3(VO4)3 compounds were prepared by solid-phase synthesis using oxides as starting chemicals: PbO, Pr2O3 (Sm2O3), GeO2, and V2O5. The successive annealing was carried out at 773–1073 K in the air. The effect of rare-earth elements on the structure of the Pb9R(GeO4)3(VO4)3 (R = La, Pr, Nd, Sm) apatites and basic thermodynamic functions was investigated

Abstract To explore the binding mechanism between pyrrol-2-one−triazole hybrids and HIV-1 protease, the AutoDock software was used for molecular docking between 24 types of pharmacoactive hybrids as ligands and HIV-1 protease as a receptor. Subsequently, the parameters regarding the binding of the ligand and the receptor, such as root mean square deviation (RMSD), hydrogen bond, etc. were analyzed

Abstract In this work, we studied the thermodynamic parameters of the complexation reaction between europium and N,N '-diethyl-N,N '-difluorophenyl-2,2'-bipyridyl-6,6'-dicarboxamides in ethanol. The complexation reaction lead to one complex particle with 1 : 1 metal : ligand composition. Spectrophotometric and calorimetric titration methods were used for determination of the stability of complexes

Abstract In this research, multiwalled carbon nanotubes (MWCNTs) were firstly oxidized with HNO3/H2SO4 mixture and then functionalized with silane groups and were used for the removal of amoxicillin (AMX) as one of the most consumed antibiotics from the solution media. In addition, NH4Cl-induced activated carbon (NAC) was also prepared as another adsorbent. Then the adsorption process was investigated

Abstract This paper explores structural, phonon, electronic and thermoelectric properties of Zr0.25Ti0.75GeSb. By doping 0.25 Zr to TiGeSb the space group of this compound changes to P4/mm. Lattice constants and bulk modulus demonstrate relative increase compared to TiGeSb. This increment is low and expected. Furthermore, phonon calculations of Zr0.25Ti0.75GeSb were carried out by Quantum Espresso

Abstract A novel and facile one-pot method, named high-temperature high-energy mechanical force (HTHEMF), was successfully used to synthesize the Fe2P/LiFePO4/C composites. In this method, the combination of the high-energy mechanical force with the high-temperature not only simplified the synthesis process, but also reduced the temperature and time of the calcinations process. The temperature and

Abstract Thiophene substituted porphyrin derivative was synthesized and investigated. The porphyrin derivative was characterized via MALDI-MS, 1H NMR, FT-IR, and cyclic voltammetry methods. The poly-porpyrin (PPor) film was electrochemically deposited on a glassy carbon electrode (GCE) via cyclic voltammetry in phosphate buffer solution (PBS). The electrocatalytic activity of the polymeric porphyrin

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Abstract The bidispersion model is adapted to study the kinetics of the sorption of cholesterol by organo-inorganic molecularly imprinted sorbents and an unimprinted analog of them.

October 2020 marks the 100th anniversary of the creation of Yeltsin Ural Federal University. Nowadays, the University has two chairs of physicochemical profile: the Chair of Physical and Colloid Chemistry and the Chair of Physical and Inorganic chemistry. Each has its own rich history and traditional areas of scientific research.

Abstract Complex oxides Sm0.9Ca1.1Fe1 − yCoyO4 − δ (y = 0, 0.7) are synthesized in air at 1100°С using the glycerol-nitrate technique. The temperature dependences of the total electrical conductivity, Seebeck coefficient, and thermal expansion of the compositions Sm0.9Ca1.1Fe1 − yCoyO4 − δ (y = 0, 0.7) are studied in the 25–1100°C temperature range and at \({{P}_{{{{{\text{O}}}_{2}}}}} = 0.21\) atm

Abstract A catalytic system 3%Cu/CeO2–ZrO2 has been developed that allows the selective hydrogenation of 5-hydroxymethylfurfural to 2,5-bis(hydroxymethyl)furan with conversion of 70% and selectivity of 100% in 2 h at 170°C and hydrogen pressure of 10 atm. During the work, the effect of the amount of copper in the catalyst, its phase composition as well as the technique of copper deposition on the activity

Abstract The dynamic viscosity and density of a water–PEG–KBr system are measured in the ranges of 293.15–323.15 K and 0–0.001 mol parts. Polyethylene glycol samples with average molecular weights of 1000, 1500, 3000, 4000, and 6000 g/mol are used. The concentration of KBr is 0.01 mol parts. The activation parameters of viscous flow (Gibbs energy, enthalpy, and entropy) and the partial molar volume

Abstract Kinetics of the oxidative degradation of universal strongly acidic cation-exchange resin KU-2×8 is studied using hydrogen peroxide. The effect the nature and concentration of catalytic additives in the form of copper(II) and iron(II) salts have on the oxidation process is determined. It is found that in noncatalytic degradation, the effective rate constant rises from 0.24 × 10−3 to 7.54 ×

Abstract The heats of dissolution of crystalline picolinic acid in water and in potassium hydroxide solutions at 298.15 K are measured via direct calorimetry. The standard enthalpies of formation of the acid and its dissociation products in an aqueous solution are calculated.

Abstract The concept of ion-exchange transformation in heterogeneous thin film–aqueous solutions of metal substituents is presented as a promising way of synthesizing multicomponent compounds based on metal chalcogenides. Characteristic features of this process are described and a number of its physicochemical patterns are revealed using data obtained at Yeltsin Ural Federal University’s Faculty of

Abstract Chemical deposition is used to obtain thin solid films of lead sulfide Pb(S, O) with oxygen contents of 0.2 to 30.7 at %, regulated by a variety of ligands. The oxygen effect on the mechanism of formation and optical properties of Pb(S, O) films is studied experimentally and through quantum-chemical modeling. A heterostructured nature of the synthesized Pb(S, O) compounds is shown for the

Abstract Nanocrystalline CdSe films on a frosted glass substrate are synthesized via hydrochemical deposition with sodium selenosulfate using an additive of 5 × 10–4–10–3 mol/L copper(II) chloride. It is found that introducing copper(II) chloride into the reaction mixture accelerates the formation of solid phase CdSe and thins the cadmium selenide layer from 240 to 130–160 nm. It is established that

Abstract Considering weak stability, difficult separation, poor mechanical property and thermal strength of polysaccharide materials, magnetic graphene oxide/alginate beads (mGO/CA) were synthesized for competitive adsorption of MB and Cu2+ in single and binary aqueous solution. The characteristics results of FTIR, XRD, and SEM indicated that the mGO/CA was successfully fabricated. The adsorption of

Abstract Data on the kinetics and mechanism of the formation of a solid phase during the hydrochemical deposition of lead selenide films with inhibitors of selenocarbamide oxidation (sodium sulfite, ascorbic acid, and tin chloride) are systematized and analyzed. The effective rate constants of the conversion of a lead salt to selenide and the thickness of PbSe films are shown to depend on the nature

Abstract Polycrystalline films of PbS:Fe are obtained via hydrochemical deposition from an ammonia-citrate bath containing 10−5 to 7 × 10−3 M of FeCl2 doping additive. The films’ morphology is studied along with their structural and optical properties. An increase in the lattice parameter of PbS doped up to 5 × 10‒3 M testifies to the interstitial position of Fe2+ ions, while a subsequent reduction

Abstract The densities (ρ), speeds of sound (u), and viscosities (η) are reported for binary mixtures of propiophenone with ortho-substituted aniline (2-chloroaniline, 2-methylaniline, and 2-methoxyaniline) over the entire composition range from 303.15 to 318.15 K and at atmospheric pressure 0.1 MPa. The excess/deviation functions (VE, \(k_{s}^{E}\), and Δη) are calculated from the measured densities

Abstract X-ray powder diffraction and Rietveld full-profile analysis are used to establish the homogeneity ranges and crystalline structure of solid solutions Nd2−zCazO3−z/2 (0.0 ≤ z ≤ 0.1, space group P\(\bar {3}\)m1) and Nd2−yCayCoO4−δ (0.7 ≤ y ≤ 1.0, space group I 4/mmm). Dependences of the unit cell parameters on the composition of solid solution Nd2−yCayCoO4−δ are obtained. It is shown that all

Abstract Phosphor Ca2La6.8Eu1.2(SiO4)6O2−δ is obtained via coprecipitation and the nitrate-citrate pyrolysis method. The structure and phase composition of the synthesized apatite silicates are studied using XRD. The luminescence spectra of the sample are registered before and after pressing at pressures above 5 GPa. The magnetic properties are analyzed by means of ESR spectroscopy and vibration magnetometry

Abstract A novel sol–gel method has been adopted to synthesize the cubic structure of CoFe2O4 microspheres (CFOM) with JCPDs card no. 22-1086 and polyacrylamide decorated CoFe2O4 microspheres (p-CFOM). The crystal structure, functional group, surface morphology, light absorption capacity, magnetic, photoluminescence and electrochemical properties and photocatalytic activity of CFOM and p-CFOM for the

Abstract Isothermal microcalorimetry is used to study interfacial interaction in composite films based on electron-donor (polystyrene) and electron-acceptor (polyvinyl chloride) polymers containing Al and Al2O3 nanodispersed powders obtained via the electrical explosion of wire. According to the enthalpies of adhesion in composites and the enthalpies of wetting of dispersed powders with solvents of

Abstract The La1.5Sr0.5Ni1–yCoyO4+δ (y = 0, 0.1, 0.2, 0.3, 0.4) complex oxides were synthesized by the citrate-nitrate route. The phase purity of the samples was confirmed by the powder X-ray diffraction (PXRD). All studied samples possess the K2NiF4-type structure with space group I4/mmm. The cobalt doping in La1.5Sr0.5Ni1–yCoyO4+δ leads to the expansion of oxygen octahedra in the ab plane and their

Abstract An equation is derived for calculating the rate coefficient of the 1-hexene hydrocarboxylation reaction in Marcelin–de Donde kinetics. The equation correctly describes experimental data in the range of concentrations of an unsaturated substrate, where the traditional Van’t Hoff–Arrhenius kinetics is of little use.

Abstract Based on a kinetic graph and a biokinetics model of the conjugated metabolic cycles of citric acid and the ornithine cycle, the constants of biochemical reactions are selected and a system of eight ordinary differential equations is solved. The dependences of the quantities of metabolites and products on time are constructed.

Abstract Electronic absorption spectroscopy is used to study the patterns of bonding of oligopeptides of glycyl-glycine and glycyl-glycyl-glycine using the coenzyme pyridoxal-5'-phosphate at 293 K in a phosphate buffer solution at pH 7.35. The results are compared to the similar process for monomeric glycine. The interaction constants and the spectral parameters of the reaction products are determined

Abstract Solutions of dimethylsulfoxide (DMSO) in monoethanolamine (MEA) are studied via IR spectroscopy on a Bruker Tensor 37 FT-IR spectrometer in the wavenumber range of 900–4000 cm−1. The concentrations of DMSO are 2–66 mol %. The region of the stretching vibrations of hydrogen-bonded OH and NH2 groups (2800–4000 cm−1) and the region of the S=O vibrations of DMSO (900–1100 cm−1) are studied in

Abstract The density of aqueous solutions of light fullerene С60 in binary system C60(OH)24–H2O is studied via pycnometry. The concentration dependences of the molar volumes and partial molar volumes of the components (Н2О and corresponding fullerenol) are calculated for the binary C60(OH)24–H2O system at 25°С. The linear sizes and the electrokinetic potentials and mobilities of the associates in the

Abstract A study is performed of the effect pretreatment with solutions of benzoic acid in an organic solvent has on the result from the electrochemical oxidation of amorphous alloy Fe70Cr15B15 in an ionic liquid 1‑butyl-3-methylimidazolium tetrafluoroborate. It is established that the nature and properties of surface oxide films affect the result from the electrochemical oxidation of the alloy in

Abstract A high-resolution UV spectrum of benzaldehyde vapor is obtained in the region of 26 600–28 500 cm−1 at a high temperature (140°C). An analysis is performed of the permitted vibrational structure of the bands of n–π* transmission in the UV spectrum. It is found that the UV spectrum of benzaldehyde vapors consists of 60 absorption bands. The reliability of the frequencies of 0–\({v}\) transitions

Abstract The effects of the stereoelectronic interaction on the structural and conformational properties of fluoromethyl methyl ether (1) and its analogues containing Cl (2), Br (3), and I (4) atoms were investigated by means of hybrid-density functional based method (B3LYP/Def2-TZVPP) and natural bond orbital (NBO) interpretation. Consistent with the reported experimental data, the chiral gauche conformations

Abstract An analysis is performed of the state of a molecular theory oriented toward describing three-aggregate systems from a single viewpoint that includes their three bulk phases and three types of interfaces (vapor–liquid, solid–vapor, and solid–liquid). It is established that the theory, which is based on the lattice gas model (LGM), provides a common structure to express the pressure of not only

Abstract An analysis is performed for data on the composition of cationic fragments formed during the pulsed photolysis of protonated form of dimethylaminoazobenzene dye in a rarefied helium atmosphere at T ≈ 40 K. It is shown that the interpretation of the mechanism of photolysis, which is based on the traditional representation of this dye as a monomeric azonium cation, is incorrect. An adequate

Abstract The kinetics of carbon dioxide release during the interaction between ozone and an aqueous solution of formic acid in a bubble column reactor has been studied for the first time. A simple and effective method of determining carbon dioxide in a gas stream has been developed. It is shown that the formation of 1 mol of CO2 corresponds to the consumption of ~2.4 mol of O3. The value of the true

Abstract The effects of the mutual influence of supported metal nanoparticles and a carrier are considered for different cases where the carrier is a solid acid, a solid base, a semiconductor, or a conducting material. Special attention is given to the inverse side of this mutual influence, i.e., modification of the properties of the carrier itself due to the influence of metal particles, which has

Abstract Nitrogen-sulfur quantum dot co-modified graphene nanosheets composites (NSG) were fabricated via a facile hydrothermal method as a high performance metal-free catalyst for methyl orange (MO) degradation. Physical-chemical properties of the obtained samples were characterized by XRD, FTIR, SEM, TEM, EDX, TGA, BET, and UV–Vis DRS technologies. Compared with RGO, NSG exhibited much better photocatalytic

Abstract Interaction between L-methionine (Met) and nicotinic acid (NA) in an aqueous buffer solution (pH 7.4) is studied via dissolution calorimetry and densimetry. The thermodynamic characteristics of the formation of a 1 : 1 molecular complex between Met and L at Т = 298.15 K are determined. The experimental density of the Met–L–buffer system is measured at T = 288.15, 298.15, 303.15, 308.15, and

Abstract Carbon material (CM) based on shadbush CAm (Amelanchier) wood pulp and a mixture of CAm + AMS, where AMS is aluminum magnesium spinel, are used as a support for a Fe-containing catalyst promoted by Bi (0.6 wt %) for the hydrogenation of CO. The dynamics of the formation of iron carbides during the activation of iron oxides supported on the CM and CM–aluminum magnesium spinel mixture is studied

Abstract A series of derivatives of uracil were designed through substituting the hydrogen atoms by nitro groups to look for high-energy-density compounds. To explore the thermal stabilities, the heats of formation (HOF) are calculated at the G3MP2 using the isodesmic reaction accompanied with the atomization reaction. Furthermore, the determinate factors of the stability are also discussed in detail

Abstract Low-temperature nitrogen adsorption, X-ray phase analysis (XRD), and electron microscopy are used to analyze the physicochemical properties (morphology, texture, phase composition, specific surface area, and porosity) of ASD-4 ultrafine powder and the products of the reaction between ASD-4 nanopowder and Mn, Fe, Co, and Ni formates. Results from studying the morphology and phase composition

Abstract The forming and study of cationic surfactant/polyelectrolyte (PE) polymer colloid systems has been done at different concentrations of an amphiphilic compound and fixed polymer concentration. An imidazolium amphiphilic compound with a tetradecyl radical (IA-14) served as the surfactant; polyacrylic acid (PAA) characterized by a molecular weight of 1800 Da was used as component of the polymer

Abstract Results are presented from analyzing different ways of obtaining pure atomic surfaces of In, Sn, Bi, and binary alloys In–Bi and Sn–Bi in the liquid state. The high sensitivity of characteristic electron energy loss spectroscopy to surface-active impurities is noted. The example of an In–Bi melt (6.16 at % Bi) shows the effect oxygen has on the segregation of components into surface layers

Abstract Self-assembled monolayers (SAMs) have many applications such as the solar cells and water-spitting systems, which mimic the photosynthetic process in the plants and serve as an effective alternative to provide clean energy from the sun. Dye molecules that are self-assembled on semiconductor substrates (usually TiO2) play essential roles in the photon-to-electron conversion process. However

Conditions and ways of inhibiting, quenching, and subsequently restoring the chemiluminescence of luminol in alkaline aerated dimethyl sulfoxide are determined. Data are obtained that testify to the key role of electron transfer from luminol dianions to oxygen in the auto-oxidation and chemiluminescence of luminol under these conditions.

The reactive blue 4 (RB4) dye adsorption onto chitosan 10B was studied in aqueous solution as a function of contact time, dye concentrations, ionic strength, temperature and solution pHs. The dye adsorption kinetics validated a pseudo second-order model while the rate determining step followed intraparticle diffusion mechanism. The equilibrium dye adsorption isotherms were nicely fitted with the Langmuir

Adsorption isotherms are obtained for limonene enantiomers on the surfaces of ionol and adenine dinitrate crystals, and for the crystalline structures of cytosine and cyanuric acid deposited on surfaces of graphitized thermal carbon black. Viedma ripening conditions are used to induce chirality in the crystals. It is found that the isotherms of limonene enantiomers differ from one another during adsorption

The acoustical and thermophysical properties of nanofluids is of great importance in heat exchange systems. Thus, these properties of nickel oxide (NiO) nanoparticles dispersed in ethylene glycol (EG) were studied after synthesizing and characterization of NiO nanoparticles. Speed of sound, acoustic impedance and free volume for NiO-EG nanofluids first increased upto 0.6 wt % and then decreased. However

Multidimensional nanostructures (0D–1D composite nanostructure) SnO2 nanoparticles in SnO2 nanotubes were easily synthesized by combining the co-precipitation method with the coaxial electrospinning method. SnO2 nanoparticles with a size of about 30 nm were synthesized by co-precipitation method, and SnO2 nanoparticles in SnO2 nanotubes were synthesized by coaxial electrospinning by using a dispersion

Gold nanoparticles with different diameters of the metal core are obtained by reducing HAuCl4 with hydrazine in reverse emulsions stabilized by Span 80 (9.4 ± 0.4 nm), AOT (6.1 ± 0.2 nm), and an equimolar Span 80 + AOT mixture (10.0 ± 0.2 nm). After synthesis, only the nanoparticles in the AOT solutions (ζ potential 16.8 ± 0.9 mV) display electrophoretic mobility. Nanoparticles in the form of a small-volume

A study is performed of IR absorption and Raman spectra of methyl 6-methoxy-2,3,4,9-tetrahydro-1H-1,4-ethanocarbazole-3-carboxylate. Optimized structures and the harmonic force fields of stable conformers are calculated using the density functional theory (the B3LYP, M062X, and BVP86 functionals combined with basis sets of different completeness). A detailed explanation of the spectra is proposed based

Raman spectra of composite aerogels of polytetrafluoroethylene and graphene oxide (reduced grahpene oxide) (PTFE–GO (RGO)) are obtained and described. Five peaks (two Gaussians and three pseudo-Voigt functions) are used to describe spectra in the region of 800–2100 cm−1. Thermal and hydrazine reduction are found to affect the positions of individual components in the Raman spectra differently. Any

Quantum chemical caculations of the most stable conformers of methylamine-pyridoxal-5-phosphate Schiff base three tautomeric (enol, keto, and zwitterionic) structures and their monohydrates and dihydrates have been carried out at the B3LYP/6-31+G**, M062X/6-31+G**, and BVP86/TZVP levels of theory. The optimized structures, harmonic force fields, and vibrational frequencies of tautomers have been obtained

A series of Sn–Ti( n )–DETA catalysts were prepared by a simple EISA method assisted by post-treatment of diethylenetriamine (DETA) solution, and several characterization techniques, including XRD, N2 sorption, Raman, ICP, UV–Vis DRS, pyridine-adsorbed IR, SEM, and TEM, were adopted to investigate their physical and chemical properties. The influence of DETA on the tin incorporation promotion of mesoporous