Objectives. Cinnamic acid derivatives belong to a large class of phenolic compounds, which are widely distributed in plants and have high potential for use in the medical and industrial fields. They have various useful practical properties, e.g., antioxidant, anti-inflammatory, antiplatelet, and anti-melanogenic properties. Hydroxycinnamic acids are of particular interest as phenylpropanoids, which are the starting compounds of lignin. The aim of this work was to study the electronic structure and analyze the reactivity of the simplest representatives of phenylpropanoids formed during the biosynthesis of the coumaric (p-hydroxycinnamic), caffeic (3,4-dihydroxycinnamic), ferulic (3-methoxy-4-hydroxycinnamic), sinapic (3,5-dimethoxy-4- hydroxycinnamic), and 3,4-dimethoxycinnamic acids. These acids are the biogenetic precursors of most other phenolic compounds (coumarins, melanins, lignins, and flavonoids) and are found in almost all higher plants.

Methods. Calculations with full optimization of the geometric parameters were performed using the original Hartree–Fock theory and hybrid density functional method. All calculations were performed using the Firefly program.

Results. A comparative quantum chemical calculation of the geometric parameters of hydroxycinnamic acid molecules was conducted via two methods, and the values of the charges on atoms according to Mulliken were determined. It was found that with the addition of hydroxyl and methoxy substituents at the meta and para positions relative to the carboxyl fragment, the electron density shifts toward the benzene ring, and the symmetry of the molecule decreases. Additionally, in these structures, there is π,π-conjugation of the carboxyl fragment of the –СН=СНСООН molecule with the aromatic ring, which significantly affects the geometric configuration of the molecule. The maximum positive charge is concentrated on the C₉ atom, while the maximum negative charge is on the oxygen atoms belonging to the methoxy substituents and the hydroxyl group, which confirms the role of oxygen atoms in the chemical transformations of acids.

Conclusions. Two different methods were used to calculate the geometric, electronic, and energy parameters and electrophilicity indices of the studied hydroxycinnamic acids in the gas phase. The obtained values were consistent (within the limits of error) with the experimental data as well as the results described in earlier works’ calculations by other methods.

Objectives. Determination of the effectiveness of using various types of heat pumps in the extractive distillation of an isobutyl alcohol–isobutyl acetate mixture with n-butyl propionate as the entrainer.

Methods. As the main research method, mathematical modeling was performed using the Aspen Plus V. 9 software package. As a model for describing the vapor–liquid equilibrium, the local composition equation-based UNIQUAC model was employed, and the Redlich–Kwong model was adopted to examine the non-ideal vapor phase. When modeling the conventional scheme of extractive distillation, parametric optimization was carried out according to the criterion of total energy costs in the reboilers of the columns. For economical evaluation, Aspen Process Economic Analyzer V10.1 tools were employed.

Results. In comparison with the conventional extractive distillation scheme, three variants of schemes with vapor-recompression heat pumps were considered: with a heat pump placed on an extractive distillation column, on an extractive agent regeneration column, and with two heat pumps placed on both columns of the scheme. A scheme with an internal heat pump was also proposed, in which the heat pump compressor is located between sections of extractive columns that operate at different pressures: 506.6 kPa in the top sections and 101.3 in the bottom section. An economic analysis was conducted for all the considered schemes to calculate the total annual costs. It was shown that schemes with vapor-recompression heat pumps can significantly reduce the energy costs of extractive distillation by up to 39.6%; however, a significant reduction in the total annual costs is achieved only with sufficiently long operation periods of the plants. The reduction in the energy costs in the scheme with an internal heat pump was 44%, and the total annual costs were in the range of 20.2–30.1%, depending on the operating time of the plant.

Conclusions. It was shown that using heat pumps in the extractive distillation of the mixture of isobutyl alcohol–isobutyl acetate with n-butyl propionate as the entrainer can significantly reduce energy costs. The scheme with an internal heat pump is the most economical of all the considered schemes.

Objectives. The Monarda fistulosa herb of the Lamiaceae family is particularly interesting among essential oils from medicinal plants that have a wide spectrum of pharmacological activities. However, information regarding some of its flavonoids, which are found in the essential oil, is controversial. Inaccuracies in identification of the chemical composition of the herb have led to several different standardization approaches, which are cumbersome. To establish a uniform classification, here, we present confirmation for new approaches for the standardization of the Monarda fistulosa herb.

Methods. Silica gel column chromatography was used to extract the flavonoids. Identification was based on ultraviolet spectroscopy, nuclear magnetic resonance spectroscopy, mass spectrometry, and acidic hydrolysis. The quality of the proposed quantitation methodology for total flavonoids was assessed by differential spectrophotometry at 394 nm, in isorhoifolin equivalent.

Results. We have verified new approaches for the standardization of the Monarda fistulosa herb. The approaches can determine the authenticity of the herb by detecting monoterpene phenols and flavonoids that have diagnostic value. We also developed a technique for quantitation of the total flavonoids.

Conclusions. We investigated the possibility of establishing the authenticity of the Monarda fistulosa herb based on the diagnostically significant flavonoids, isorhoifolin and linarin.

Objectives. There has been a rapid increase in the number of diabetic patients since the past few decades in developed and developing countries. This rapid increase is accompanied by alarming costs of treatment. α-Glucosidase inhibitors are one of the most effective drugs employed for the reduction of postprandial hyperglycemia to manage Type 2 diabetes mellitus. Additionally, flavonoids, a group of natural substances, which are widely distributed in plants and possess variable phenolic structures, exhibit outstanding hypoglycemic activity and are considered as potential α-glucosidase inhibitors. In Vietnam, Persicaria pulchra (Bl.) Soják (P. pulchra) is employed in traditional medications. It possesses high flavonoid contents and its anti-diabetes ability has been hypothesized, although it has attracted less attention for investigation. Hence, the aim of this study is to optimize the condition of the P. pulchra extract to obtain the highest total flavonoid content and measure the bioactivities of P. pulchra, such as the anti-α-glucosidase and antioxidant activities.

Methods. The effects of the extracting conditions, including the temperature, extraction time, liquid-to-solid ratio (LSR), and ethanol (C₂H₅OH) concentration, on the total flavonoid content are investigated via experiments and analyzed by the response surface methodology (RSM). Concurrently, the optimal extraction also determines the anti-α-glucosidase and antioxidant activities.

Results. The optimal extraction condition for the highest flavonoid content (530 mg quercetin/g) is determined in 60 min, at 53°C, with LSR of 9.46 g/g and C₂H₅OH concentration of 62%. Moreover, the optimal plant extract exhibits good α-glucosidase inhibition with a half-maximal inhibitory concentration (IC₅₀) of 22.67 mg/mL, compared to the positive control (acarbose −7.77 g/mL). Additionally, P. pulchra is proposed to be a potential antioxidant with an IC50 of ~12.68 µg/mL.

Conclusions. The study confirmed the optimal extraction condition of P. pulchra that will obtain the highest total flavonoid content and revealed the potentials of P. pulchra in α-glucosidase inhibition and antioxidation.

Objectives. The extraction and separation of rare-earth metals is a complicated process that requires a multidisciplinary and detailed investigation. Liquid-liquid extraction with the use of surfactant, along with the thermodynamic analysis of the parameters is considered a promising approach. The extraction and separation of rare-earth metals from low-concentration solutions represents an attractive research opportunity. The extraction of europium(III) from nitric acid solutions in the form of dodecyl sulfates has been experimentally studied. This work focuses on the study of fundamental and alternative sources of rare-earth metals and their extraction and separation.

Methods. The extraction was performed on a top drive ES-8300 D equipment for 30 min at about 700 rpm. Infrared spectroscopy (Nicolet 6700 spectrometer) was used to determine the type of salts extracted into the organic phase. Extraction was studied in solutions with single cations and with a combination of the target element and interfering cations. For the latter, the concentrations of extracted elements in the aqueous phase were determined by optical emission spectroscopy with inductively coupled plasma on an ICPE-9000 (Shimadzu) spectrometer. The spectrometer was calibrated using standard samples for ICP CertiPUR (Merck).

Results. The dependence of the distribution and separation coefficients of rare-earth metals during extraction on the pH value of the aqueous phase at equilibrium was investigated. Moreover, the form in which the elements are extracted was analyzed based on thermodynamic parameters. The minimum concentration of the target component in the aqueous phase was observed at pH 4.0. In general, the dependence of the distribution coefficient on the pH value of the medium is poorly expressed over the entire range of the pH range of the water phase. Based on the spectra of spent and pure isooctyl alcohol, it was concluded that europium dodecyl sulfates are extracted into the organic phase as Eu(C₁₂H₂₅OSO₃)₃ solvates.

Conclusions. The extraction of europium(III) from nitric acid solutions in the form of dodecyl sulfates was demonstrated. The advantages of the proposed method are the possibility of selective extraction of the target component from dilute solutions and the use of an easily available surfactant (sodium dodecyl sulfate). The efficiency of extraction of europium dodecyl sulfates was maximal in the pH range from 2.0 to 7.5, which reflects a weak dependence on the acidity of the aqueous phase. In addition, in the highly alkaline pH region, the extraction efficiency is reduced.

Objectives. Herein, the effects of cationic polyelectrolytes on the properties of solid substrate immobilized acid–base indicators are investigated to predict shifts in their spectral patterns and characteristics.

Methods. The properties of the silica gel immobilized indicator dye in a solution of the cationic polyelectrolyte were studied using automatic photometric titration in the visible region and spectrophotometry using a specialized computerized setup.

Results. The measured pK_a value of the immobilized dye, which had shifted by three units to the acidic region, was very similar to the pK_a value observed for the indicator in the modifying polymer solution. The observed change in pKa of the immobilized dye and the influence of the solution’s ionic strength were attributed to the local electric potential of the polymer globule. In contrast to the processes associated with covalent immobilization, the effect exerted by the solution’s ionic strength on the indicator reaction diminishes, which, in turn, affects the measured values obtained.

Conclusions. The creation of a sensor for continuous visualization of pH levels based on Congo Red immobilized on silica gel was described. Here, a color transition was noted between pH 1 and 4. These materials can be used to monitor metal extraction processes from industrial effluents or to optimize the extraction of valuable actinides. The approach demonstrated in this work can be applied to immobilize other indicators for pH level monitoring purposes or the production of sensors for other analytes.

Objectives. Preserving the continuity of scientific schools and increasing scientific motivation is critical for educating new generations of researchers. One way to solve this problem is to promote the historically significant achievements of outstanding scientists working in the field, without which the foundations of modern chemical technologies cannot be imagined. The field of physical chemistry benefited immensely from the contributions made by Professor Yakov Kivovich Syrkin. This article is devoted to the analysis of the growth of Ya.K. Syrkin as a scientist and discusses his main scientific contributions to physical and quantum chemistry.

Methods. The article was prepared using archival materials, bibliographic references, original texts of articles, and scientific reports.

Results. The article details and documents the main scientific achievements of Ya.K. Syrkin during his work at the Ivanovo-Voznesensk Polytechnic Institute and the Ivanovo Institute of Chemistry and Technology between 1918 and 1932, showing his growth and development as a young scientist through his interactions with teachers and colleagues. Syrkin’s research on chemical equilibrium, reaction kinetics, thermodynamics, catalysis, solution theory, solvate effects, and colloidal systems are presented herein.

Conclusions. A retrospective analysis of the career of Ya.K. Syrkin shows the scope of his research interests and his ability to build on the foundations provided by great predecessors such as Gibbs, Van’t Hoff, Arrhenius, Ostwald, and Nernst. A comprehensive study of fundamental and applied aspects of physical chemistry guided Syrkin’s approach to understanding the importance of molecular structure and the nature of chemical bonds in all observed chemical phenomena.