bluuebunny/crossref_metadata_2025 huggingface dataset:
ASPECTS OF THE EXERGY APPLICATION FOR ANALYSIS OS THE ENERGY SUPPLY SYSTEMS OF HYDROCARBON PROCESSING ENTERPRISES
Authors:   Yuri Gagarin State Technical University of Saratov, Saratov, Russia, Kulbyakina А. V. , Ozerov N. A. ,   Yuri Gagarin State Technical University of Saratov, Saratov, Russia, Batrakov P. А. ,   Omsk State Technical University, Omsk, Russia, Morozov N. A. ,   Yuri Gagarin State Technical University of Saratov, Saratov, Russia
Published: October 2023

The paper describes methodological approaches of applying the thermodynamic analysis to assess the efficiency of complex chemical and engineering systems, as well as to identify the scientifically-based areas for improving the energy sector. Modern chemical and engineering systems including the hydrocarbon processing plants are characterized by the high specific energy intensity and complex engineering topology. The sophistication of such facilities can be objectively assessed based on the exergy analysis. The exergy analysis makes it possible to carry out a quantitative and qualitative assessment of any type of energy at the enterprise. Moreover, it provides an opportunity to adequately evaluate the potential of the energy utilization including secondary energy resources, combustible hydrocarbon gases, industrial wastes, and effluents. The paper presents methodological approaches to determine the exergy types and calculate the exergy balance, considering the specifics of hydrocarbon processing plants. The exergy balance of the study subject represented in the form of a Grassmann diagram has been calculated using the above provisions. Besides, the exergy of all types of fuel consumed has also been calculated, as well as the industrial processes consuming the largest amount of the fuel exergy for functioning have been determined. Finally, according to the data presented, the main directions for improving the efficiency of the hydrocarbon processing plants have been proposed.
PECULIARITIES OF THE BOILING PROCESS WHEN USING A NANOFLUID
Authors:   Omsk State Technical University, Omsk, Russia, Slobodina E. N. , Mikhailov A. G. ,   Omsk State Technical University, Omsk, Russia, Gass E. A. ,   Omsk State Technical University, Omsk, Russia
Published: October 2023

The paper presents the results of a computational study of the heat transfer coefficients during boiling of various types of coolants. A review of computational methods for determining the heat transfer coefficient is made. Data were obtained using various methods to determine the heat transfer coefficient during boiling of a liquid using pure water as an example.
ASSESSMENT OF NETWORK THREATS TO INFORMATION SECURITY FOR SOFTWARE AND HARDWARE OF MEDICAL INFORMATION SYSTEMS
Authors:   Omsk State Technical University, Omsk, Russia, Maystrenko V. A. , Bezrodnykh O. A. ,   Omsk State Technical University, Omsk, Russia
Published: October 2023

This article discusses the issues of assessing network threats to information security for software and hardware components of medical information systems (MIS). For threats, an analysis of statistical data and analytical materials from various sources on network threats to information security (IST) was carried out. The study of statistical data and analytical materials allows us to classify the IST of interest to us according to the frequency of their occurrence. Based on the data obtained, using fuzzy logic methods, an assessment is made of the degree of threat and relevance of network IST for software and hardware of MIS.
MATHEMATICAL MODEL OF A BIFUNCTIONAL CATALYST
Authors:   Omsk State Technical University, Omsk, Russia, Krasyuk M. S. , Kuleshova V. A. ,   Omsk State Technical University, Omsk, Russia, Luzhbina Yu. D. ,   Omsk State Technical University, Omsk, Russia, Podgornyi S. O. ,   Omsk State Technical University, Omsk, Russia, Smolikov M. D. ,   Omsk State Technical University, Omsk, Russia,   Center of New Chemical Technologies, Omsk, Russia
Published: October 2023

A mathematical model of a bifunctional catalyst for the process of hydrocarbon isomerization is proposed, taking into account the composition of the reaction mixture, as well as the ratio of metallic and acid active centers. The elementary surface processes are considered: adsorption/desorption of reagents, dehydrogenation of paraffin into olefin, isomerization of olefins, cracking, hydrogenation of isoolefins and unsaturated low molecular weight cracking products, desorption of reaction products, coke formation, diffusion of adsorbed particles. The given amounts of desorbed reaction products are calculated. Snapshots of the catalyst surface were obtained.
THE RESULTS OF PILOT-OPERATIONAL COMBUSTION OF THE FUEL-AIR MIXTURE IN THE 1D 4.5/3.5 TWO-STROKE GASOLINE ENGINE, EQUIPPED WITH THE PISTON MODIFIED BY CATALYTIC MATERIALS
Authors:   Limited Liability Company ", Litvinov P. V. ,   Momentum",   , St. Petersburg, Russia, Borisov V. A. ,   Omsk State Technical University, Omsk, Russia, Vedruchenko V. R. ,   Omsk State University of Railway Transport, Omsk, Russia, Gryaznova Z. N. ,   Omsk State Technical University, Omsk, Russia
Published: October 2023

The paper presents the results of testing of silumin-based catalysts in CO oxidation reactions. High catalytic activity was shown by both palladium-containing catalysts and catalysts based on base metals. Based on the test data, 2 types of catalytic coatings were synthesized on the pistons of the 1D 4.5/3.5 engine. An effective reduction in the content of carbon monoxide and hydrocarbons in the exhaust gases of gasoline two stroke engines was shown. It is shown that the reduction of hydrocarbon emissions can reach up to 41.5%, and carbon monoxide emissions – up to 52.5% when using a modified piston instead of the original one.
THE EFFECT OF LOW TEMPERATURES ON THE PROPERTIES OF MOTOR OILS
Authors:   Omsk State Technical University, Omsk, Russia, Satorius V. V. , Korneev S. V. ,   Omsk State Technical University, Omsk, Russia,   The Siberian State Automobile and Highway University, Omsk, Russia, Bakulina V. D. ,   Omsk State Technical University, Omsk, Russia
Published: October 2023

The results of tests of motor oils are presented in order to determine the effect of viscosity on changes in low-temperature properties. The tests were carried out with three different samples of engine oil, which are produced at the Omsk Lubricants Plant. For this purpose, such laboratory equipment as a cold scroll simulator (CCS) and a mini-motor viscometer (MRV) were used, operating at temperatures of minus 200C and minus 250C, respectively. The results of the experiments are investigated and conclusions are drawn.
THE EFFECT OF NICKEL PRECURSORS ON THE ACTIVITY OF CATALYSTS BASED ON CARBON-MINERAL SUPPORT FROM SAPROPEL IN THE REACTION OF LIQUID-PHASE NITROBENZENE HYDROGENATION
Authors:   Center of New Chemical Technologies BIC, Omsk, Russia, Terekhova E. N. , Trenikhin M. V. ,   Center of New Chemical Technologies BIC, Omsk, Russia,   Omsk State Technical University, Omsk, Russia, Belskaya O. B. ,   Center of New Chemical Technologies BIC, Omsk, Russia,   Omsk State Technical University, Omsk, Russia
Published: October 2023

Nickel catalysts on carbon mineral supports obtained from sapropel were synthesized, the influence of the nature of the supports (type of the initial sapropel) and the precursor of the active component on the activity of the catalysts under study in the model reaction of liquid-phase nitrobenzene hydrogenation was studied. It is shown that catalysts based on a mineral support are more active than those based on an organic one, regardless of the nature of the precursor. When comparing the precursors, it was found that the most active catalysts are those obtained using nitrate and nickel formate. The presence of sulfur in the composition of the nickel precursor leads to a decrease in the activity of the catalyst as a result of the formation of the sulfide phase.
GRANULATED MATERIALS IN THE SYSTEM САSIO3 - ZNO
Authors:   Omsk State Medical University, Omsk, Russia, Shevchenko A. E. , Solonenko A. P. ,   Omsk State Medical University, Omsk, Russia, Polonyankin D. A. ,   Omsk State Technical University, Omsk, Russia
Published: October 2023

An actual task of modern biomaterial science is the development of osteoinductive synthetic biomaterials with antibacterial properties. In this work, a series of granulated samples, consisting of synthetic powders of wollastonite and zinc oxide mixed in various proportions (as well as gelatin, which acts as a binder), was obtained using a suspension technology based on the principle of immiscible liquids. It was found that, as a result of the composites calcination at 1250°C, their phase composition changes: Ca2ZnSi2O7 is formed and β-CaSiO3 transforms into the α-form.
Is Alprazolam A Potential Drug of Abuse In India’s Near Future?
Authors: Juvvadi Kaushik Rao , Vihari Jonnalagadda , Swain Brijeshraj , Sahu Samir , Sahoo Nalinikanta , Meher Meghanad , Vamsi Krishna Annamdevula , Maiti Sourav , Islam Sadab
Published: October 2023

To shed light on the dangers of alprazolam overuse and misuse among Indians, this review analyzed a large number of studies done so far. In this article, we reviewed the likelihood of alprazolam (benzodiazepine – a commonly used medication for panic and anxiety disorders) being among the most commonly abused substances in India in the near future. The review takes into account pharmacological features, addiction neuroscience, epidemiological statistics, sociocultural aspects, availability and effects. It emphasizes the necessity of developing specialized preventive plans, raising awareness and putting in place strong regulatory measures to deal with the new problem of alprazolam addiction and usage in India.
Intraoperative use of low-field magnetic resonance imaging for brain tumors: A systematic review
Authors: Altaf Ahmed , Shakir Muhammad , Malik Muhammad Jawad Amin , Arif Aabiya , Islam Omar , Mubarak Fatima , Knopp Eddie , Siddiqui Khan , Enam S. Ather
Published: October 2023

Background:

Low-field magnetic resonance imaging (LF-MRI) has become a valuable tool in the diagnosis of brain tumors due to its high spatial resolution and ability to acquire images in a short amount of time. However, the use of LF-MRI for intraoperative imaging during brain tumor surgeries has not been extensively studied. The aim of this systematic review is to investigate the impact of low-field intraoperative magnetic resonance imaging (LF-IMRI) on the duration of brain tumor surgery and the extent of tumor resection.

Methods:

A comprehensive literature search was conducted using PubMed, Scopus, and Google Scholar from February 2000 to December 2022. The studies were selected based on the inclusion criteria and reviewed independently by two reviewers. The gathered information was organized and analyzed using Excel.

Results:

Our review of 21 articles found that low-field intraoperative MRI (LF-IMRI) with a field below 0.3T was used in most of the studies, specifically 15 studies used 0.15T LF-IMRI. The T1-weighted sequence was the most frequently reported, and the average scanning time was 24.26 min. The majority of the studies reported a positive impact of LF-IMRI on the extent of tumor resection, with an increase ranging from 11% to 52.5%. Notably, there were no studies describing the use of ultra-low-field (ULF) intraoperative MRI.

Conclusion:

The results of this systematic review will aid neurosurgeons and neuroradiologists in making informed decisions about the use of LF-MRI in brain tumor surgeries. Further, research is needed to fully understand the impact of LF-MRI in brain tumor surgeries and to optimize its use in the clinical setting. There is an opportunity to study the utility of ULF-MRI in brain tumor surgeries.
Intractable hiccup caused by syrinx in Chiari type I malformation. Two cases report
Authors: Satake Koki , Uchikado Hisaaki , Miyahara Natsuko , Makizono Takehiro , Morioka Motohiro , Miyahara Takahiro
Published: October 2023

Background:

Intractable hiccups (IH) due to syringomyelia or syringomyelia/syringobulbia associated with Chiari type I malformations (CMI) are extremely rare. Here, we present two patients who presented with IH; one had a CMI with syringomyelia/syringobulbia, and the other, with CMI and syringomyelia.

Case Description:

The first patient was an 18-year-old female who presented with IH attributed to a holocord syrinx and syringobulbia involving the right dorsolateral medulla. The second patient was a 22-year-old female with a C3-5 syringomyelia. Both patients successfully underwent foramen magnum decompressions that improved their symptoms, while subsequent magnetic resonance studies confirmed shrinkage of their syringobulbia/syringomyelia cavities.

Conclusion:

IH was due to cervical syringomyelia/syringobulbia in one patient and cervical syringomyelia in the other; both were successfully managed with foramen magnum decompressions.
İnsanlığa Karşı Suçlar ve Küresel Eylemsizlik: Tigray Çatışması
Authors: GÜNEŞ GÜLAL Asiye Gün
Published: October 2023

Etiyopya federal hükümeti ve Tigray Halk Kurtuluş Cephesi arasında Kasım 2020’de başlayan olaylar zamanla diğer bölgelere de sıçrayarak ülke içinden ve dışından birçok farklı aktörün de dahil olduğu bir çatışmaya dönüşmüştür. Çatışan tüm tarafların savaş suçu, insanlığa karşı suç ve etnik temizliğe varan eylemler yürüttüğü tespit edilmiş ancak uluslararası toplum zamanında ve kararlı tepki vermemiş ve yaşananlara seyirci kalmıştır. Devletlerin kendi vatandaşlarını etnik temizlik, soykırım, savaş suçu ve insanlığa karşı suçlardan koruyamadığı durumlarda uluslararası toplumun koruma sorumluluğu olduğu kabul edilmesine ve bu yaklaşımın uygulandığı örnekler bulunmasına rağmen Etiyopya’da koruma sorumluluğu gündeme gelmemiş ve uluslararası toplum bir kez daha eylemsizliği tercih etmiştir. Çalışmada koruma sorumluluğunun Etiyopya’da uygulanmamasının ve uluslararası toplumun eylemsizliğinin şiddetin artmasında etkili olduğu savunulmaktadır.
Estimation of Physicochemical Properties in the Estuarine Water of Mithbav Tidal Mud Flats (Downstream Part), Coastal Maharashtra
Authors: Sapkale J.B. , Jamadar T.R. , Sapkale S.J. , Shinde G.S.
Published: October 2023

Estuarine environments have become crucial in coastal areas nowadays. Mangrove swamps, mudflats and related estuarine environments provide a habitat for animals and encourage plant growth. For the people of coastal areas, estuaries are one of the vital sources of food and other economic activity. The imbalance in the quality and quantity of Estuarine water in terms of its physicochemical parameters causes adverse effects on marine life. In the present study, an attempt has been made to estimate the physicochemical properties of the estuarine water of Mithbav tidal mud flats (downstream part) of coastal Maharashtra. Several methods have been used to evaluate the variations in physical and chemical properties of estuarine water in Mithbav including standard water testing,1 the titration method and Winkler's method. Salinity, turbidity, pH, total hardness, DO, TDS, EC, nitrate, fluoride, phosphate, ammonium, magnesium, calcium, carbonate, chloride, sodium, potassium and sulphate were examined for the seven cross-sectional sites of Mithbav estuarine water. Some parameters show levels of contamination that exceed the maximum limit. For instance, during the post-monsoon season, the average value of dissolved oxygen (DO) was recorded as 11.57mg/L whereas it has been recorded as 8.07mg/L during the summer season. The total dissolved solids (TDS) showed an average increase from 141.54 to 348.57ppt between pre and post-monsoon seasons. The electrical conductivity (EC) also increased from 45558.17μ S/Cm to 31445.85 μ S/Cm respectively from the dry to the wet season. The fluoride levels during the post-monsoon season ranged from 1.07 mg/L at CS-1 to 4.2 mg/L at CS-6. The study shows that the Mithbav coastal ecosystem and nearby areas are at significant risk of contamination from physiochemical parameters that could harm the environment.
Our experience of pediatric epilepsy surgery
Authors: Kostiuk Kostiantyn R. , Buniakin Viacheslav M.
Published: October 2023

Objective: to evaluate the effectiveness and safety of different operations in children with drug-resistant epilepsy.
Materials and Method. 91 children with drug-resistant epilepsy were enrolled in a retrospective study. Mean age was 10.3±5.1 years. Anterior temporal lobectomy was performed in 16 (57.1%) patients, lesionectomy – in 9 (10.0%), microsurgical callosotomy in 18 (19.8%), stereotactic callosotomy in 7 (7.7%), multifocal resections in 4 (4.4%), functional hemispherotomy in 14 (15.6%). Stereotactic radiofrequency callosotomy was performed on a CRW Stereotactic frame (Radionics Inc., USA). Ultrasound navigation and neuronavigation were used in 6 (7%) and 14 (15%) cases correspondingly. Intraoperative corticography was applied in 8 (9%) cases. Postoperative long-term follow-up lasted from 1 to 17 years (mean - 8.2±2.1 years).
Results. An epileptogenic zone within single hemisphere was indentified in 66 (72.2%) cases, while bilateral epileptiform activity was observed in 25 (27.5%) children. The most common etiologies of epilepsy included hypoxic-ischemic encephalopathy, intracerebral hemorrhage, meningoencephalitis, Rasmussen syndrome, cortical dysplasia, tumors.After surgery 51 (56%) patients became seizures free (Engel 1), 14 (15.4%) patients had rare auras or focal seizures (Engel 2). In 25 (27.5%) cases, seizure frequency reduction was less than 75% or did not change significantly. The most favorable outcomes were associated with resection procedures, resulting in complete seizure control in 46 (69.7%) out of 66 children, with significant improvement observed in 9 (13.6%) cases. After callosotomy drop-attacks stopped in 14 (78%) out of 18 who had them before surgery. Operative complications were encountered in 6 (6.6%) cases, postoperative mortality occurred in 1 (1.1%) case.
Conclusions. The key to the effectiveness of surgical treatment of childhood epilepsy is early surgical intervention, which leads to the control of epileptic seizures, correction of psychological and cognitive emotional disorders and improvement of quality of life. The combination of resection procedures and disconnections contributes to the reduction of epileptogenic neurons and suppression of epileptic discharges.
DEVELOPMENT OF HIGH-TEMPERATURE STERILIZATION OF PUREE FOR BABY FOOD WITH INCREASED SAFETY OF NUTRIENTS
Authors: ДЕМИРОВА А.Ф. , АХМЕДОВ М.Э. , КАСЬЯНОВ Г.И.
Published: October 2023

Максимальная сохранность исходного нутриентного состава используемого сырья в готовом про- дукте – важнейшеенаправление исследований в области производства консервированных продуктов для дет- ского питания. Разработан новыйвысокотемпературный ротационный стерилизационный режим для продуктов с пюреобразной консистенцией. Исследования проводили при производстве консервированного продукта для детского питания – пюре из черной смородины, фасованного в стеклобанку 1-58-200. Установлено, что использо- вание высокотемпературного теплоносителя и вращения стеклобанок обеспечиваетравномерный нагрев продук- та во всем объеме стеклобанки, сокращение времени теплового воздействия на 40 мин и улучшение показателей пищевой ценности. Содержание витамина С в готовом продукте, стерилизованном по новому высокотемператур- ному ротационному режиму, обеспечивает повышение содержания витамина С в готовом пюре на 26,4 мг/100 г.

Maximum preservation of the initial nutrient composition of the raw materials used in the finished product is the most importantarea of research in the field of production of canned foods for baby food. A new high-temperature rotary sterilization regime has beendeveloped for products with a puree-like consistency. The research was carried out in the production of a canned product for baby food – black currant puree packed in a 1-58-200 glass jar. It is established that the use of a high-temperature coolant and the rotation of glass jarsprovides uniform heating of the product throughout the entire volume of the glass jar, reducing the time of thermal exposure by 40minutes and improving the nutritional value. The content of vitamin C in the finished product, sterilized according to the new high- temperature rotational mode, provides an increase in the content of vitamin C in the finished puree by 26,4 mg/100 g.
Shapeshifting Ligand Masks Lewis Acidity of Dicationic Palladium(II)
Authors: Kuo Jonathan , Sipps Karli
Published: October 2023

Supporting ligands reduce the Lewis acidity of transition metal ions, limiting the degree of electrophilic activation for any substrate. Here, we demonstrate that L1 and L2 mask the Lewis acidity of dicationic Pd(II) via a reversible C–N bond formation. These shapeshifting complexes catalyze electrophilic olefin isomerization, even in the presence of a polar functional group. The equilibrium between two coor-dination modes allows the system to access an electrophilic state that is comparable to a “naked” Pd(II) Lewis acid. However, because these shapeshifting systems are not sub-ject to the same rate determining step (via interconversion with a second less electrophilic state), they are also faster catalysts than the benchmark Pd(II) Lewis acid. Overall, we demonstrate that catalytic systems featuring reversible dy-namics can be advantaged relative to structurally static counterparts.
Shapeshifting Ligand Masks Lewis Acidity of Dicationic Palladium(II)
Authors: Sipps Karli , Kuo Jonathan
Published: October 2023

Supporting ligands reduce the Lewis acidity of transition metal ions, limiting the degree of electrophilic activation for any substrate. Here, we demonstrate that L1 and L2 mask the Lewis acidity of dicationic Pd(II) via a reversible C–N bond formation. These shapeshifting complexes catalyze electrophilic olefin isomerization, even in the presence of a polar functional group. The equilibrium between two coor-dination modes allows the system to access an electrophilic state that is comparable to a “naked” Pd(II) Lewis acid. However, because these shapeshifting systems are not sub-ject to the same rate determining step (via interconversion with a second less electrophilic state), they are also faster catalysts than the benchmark Pd(II) Lewis acid. Overall, we demonstrate that catalytic systems featuring reversible dy-namics can be advantaged relative to structurally static counterparts.
Understanding Ion-transfer Reactions in Silver Corrosion and Electrodeposition from First-principles Calculations and Experiments
Authors: Kang Richard , Zhao Yang , Hait Diptarka , Gauthier Joseph , Kempler Paul , Thurman Kira , Boettcher Shannon , Head-Gordon Martin
Published: October 2023

The electrified aqueous/metal interface is critical in controlling the performance of energy conversion and storage devices, but an atomistic understanding of even basic interfacial electrochemical reactions challenges both experiment and computation. We report a combined simulation and experimental study of (reversible) ion-transfer reactions involved in anodic Ag corrosion, a model system for interfacial electrochemical processes generating or consuming ions. With the explicit modeling of the electrode potential and a hybrid implicit-explicit solvation model, the density functional theory calculations produce free-energy curves predicting thermodynamics, kinetics, partial charge profiles, and reaction trajectories. The calculated (equilibrium) free-energy barriers (0.2 eV), and their asymmetries, agree with experimental activation energies (0.4 eV) and transfer coefficients, which were extracted from temperature-dependent voltage-step experiments on Au-supported, Ag-nanocluster substrates. The use of Ag nanoclusters eliminates the convolution of the kinetics of Ag+(aq.) generation and transfer with those of nucleation or etch-pit formation. The results indicate that the barrier is controlled by the bias-dependent competition between partial solvation of the incipient ion, metal-metal bonding and electrostatic stabilization by image charge. Both the latter factors are weakened by more positive bias. We also report simulations of the bias-dependence of defect generation relevant to nucleating corrosion by removing an atom from a perfect Ag(100) surface, which is predicted to occur via a vacancy-adatom intermediate. Together, these experiments and calculations provide the first validated, accurate, molecular model of the central steps that govern the rates of important corrosion/deposition reactions of broad relevance across the energy sciences.
Modelling the solubility of gases in aqueous solutions in the context of renewable energy production with focus on geothermal plants, energy storage, and carbon sequestration
Authors: Bonto Maria , Andreasen Anders
Published: October 2023

The interactions between aqueous solutions, gases, and minerals dictate the extent of issues such as scaling, degassing, and corrosion, which have a major impact on the performance of a vast number of industrial applications (e.g., geothermal plants, oil and gas production facilities, natural gas storage in saline aquifers, flue gas scrubbing, carbon sequestration, etc.). Among the different software programs available for aqueous chemistry calculations, PHREEQC and Reaktoro were tested and validated against a wide dataset of gas solubility measurements. For the datasets considered, the two programs essentially led to the same outcome with only a few discrepancies observed. Yet, the agreement between the models and experimental data was greatly affected by the selected database. The models implemented in PHREEQC and Reaktoro were also compared with the experimental bubble point pressure of fluids sampled at several geothermal wells. The satisfactory performance of both PHREEQC and Reaktoro for describing different chemical systems at a wide range of pressures and temperatures showcases their versatility and practicality for assisting in the design and optimization of various processes relevant to the energy transition (e.g., geothermal exploitation, CO2 /H2 transport and storage).
From MS/MS Library Implementation to Molecular Networks: Exploring Oxylipin Diversity with NEO-MSMS
Authors: Elloumi Anis , Mas-Normand Lindsay , Bride Jamie , Reversat Guillaume , Bultel-Poncé Valérie , Guy Alexandre , Oger Camille , Demion Marie , Le Guennec Jean-Yves , Durand Thierry , Vigor Claire , Sánchez-Illana Ángel , Galano Jean-Marie
Published: October 2023

Oxylipins, small polar molecules derived from the peroxidation of polyunsaturated fatty acids (PUFAs), serve as biomarkers for many diseases and play crucial roles in human physiology and inflammation. Despite their significance, many non-enzymatic oxygenated metabolites of PUFAs (NEO-PUFAs) remain poorly reported, resulting in a lack of public datasets of experimental data and limiting their dereplication in further studies. To overcome this limitation, we constructed a high-resolution tandem mass spectrometry (MS/MS) database comprising pure NEO-PUFAs (both commercial and self-synthesized) and in vitro free radical-induced oxidation of diverse PUFAs. By employing molecular networking techniques with this database and the existent ones in public repositories, we successfully mapped a wide range of NEO-PUFAs, expanding the strategies for annotating oxylipins, and NEO-PUFAs and offering a novel workflow for profiling these molecules in biological samples.
Switchable quaternary ammonium transformation leading to salinity-tolerance-conferring plant biostimulants
Authors: Kinoshita Takumi , Sakakibara Yota , Hirano Tomoko , Murakami Kei
Published: October 2023

Since their discovery by Menshutkin in 1890, quaternary ammonium salts have been synthesized by alkylating tertiary amines, with the development of new synthetic methods having received limited attention. Here we describe a photoredox-catalyzed method for synthesizing quaternary ammonium salts that involves reacting α-haloalkylammonium salts with olefins. This chemistry enables selective and switchable alkylations and alkenylations that afford a variety of structurally new quaternary ammonium salts. The key to success is attributable to the photocatalytic generation of distonic α-ammonium radicals under both oxidative and reductive quenching conditions. Furthermore, during the course of our reaction-development-based chemical-screening campaign, we serendipitously discovered that the synthesized quaternary ammonium salts confer plants with salinity tolerance. The discovery of a novel class of salinity-tolerance-conferring molecule is expected to impact agrochemical development as salinity damage increasingly becomes a global problem.
Main Proteases of Key RNA Viruses Recognize P2 Residues in the Polyproline Type II Conformation: Harnessing Proline's Conformation with Protease Inhibitors
Authors: Weerawarna Pathum
Published: October 2023

Positive-sense RNA viruses, particularly those in the Picornavirus-like superfamily and the Coronaviridae family, significantly impact public health, necessitating the development of focused antiviral agents. The main proteases of these viruses are promising targets for antiviral development. Peptidyl protease inhibitors containing Pro derivatives, mimicking rigid Leu at the P2 position, have emerged as potent drug candidates against SARS-CoV-2 3CLpro, despite several theoretical disadvantages compared to non-Pro rigid Leu mimetics: loss of a critical hydrogen bond due to the Pro tertiary amide and the unique PPII conformation associated with Pro, contrasting the protease-preferred β-strand conformation in the solution phase. Interestingly, despite these potential drawbacks, Pro derivatives that mimic a rigid Leu at the P2 position manage to either enhance or maintain inhibitory activities when compared to non-Pro derivatives. In this study, we analyzed over 200 crystal structures of main protease-bound peptidyl inhibitors of major RNA viruses. Our analysis revealed a previously unnoticed preference of these main proteases for the P2 residues of peptidyl inhibitors to adopt the PPII conformation, contrasting the traditional β-strand conformation. Furthermore, our unbiased all-atom classical MD simulations of literature examples confirmed that using Pro-based rigid Leu mimetics constrains the P2 residue in the enzyme-preferred PPII conformation in the solution phase and significantly reduces configurational entropy, which accounts for enhanced binding affinities despite losing a critical hydrogen bond and provides new insights into the binding of peptidyl protease inhibitors to viral main proteases.
Revisiting the Ultrafast IR Spectroscopic Study of Free Volume Elements in Polymers: The Role of Probe Molecule's Internal Rotational Fluctuation in Anisotropy Decays
Authors: Mondal Saptarsi , Palchowdhury Sourav , Park Kwanghee , Sung Soyeon , Lee Yong Ho , Kwak Kyungwon , Cho Minhaeng
Published: October 2023

Free volume in amorphous polymer materials is a crucial factor that dictates their macroscopic properties. By probing the orientational relaxation dynamics of an infrared probe embedded in the polymer matrix, the free volume element size and its probability distribution can be derived. Two distinct timescales of anisotropy decay of the nitrile probe in phenyl selenocyanate at ~10 and ~200 ps were assigned to two different wobbling-in-a-cone (WIAC) motions of the probe. In this study, using ultrafast infrared pump-probe (IR-PP) spectroscopy and molecular dynamics (MD) simulation, we investigate the rotational dynamics of phenyl selenocyanate (PSC), 2-methylphenyl selenocyanate (MPSC), and 2,2-dimethylphenyl selenocyanate (DMPSC) embedded in poly (methyl methacrylate) (PMMA), poly (2-phenoxyethyl acrylate) (PPEA) and poly (2-methoxyethyl acrylate) (PMEA) polymers to unravel the role of the internal rotational fluctuation of the nitrile group around the C(Ph)-Se(CN) bond vector on the rotational anisotropy as well as their biocompatible properties. We show that with increasing the steric effect by one or two methyl groups substituted at the ortho positions of the phenyl ring, the short-time rotational anisotropy dynamics of the nitrile group becomes 5-6 times slower in MPSC (28.7 ± 1.4) and DMPSC (31.9 ± 1.8) compared to that in PSC (4.8 ± 0.5 ps), and the corresponding amplitude decreases. These experimental observations indicate that the faster (~10 ps) rotational anisotropy component of phenyl selenocyanate in polymers originates from the internal rotational fluctuation of a nitrile group instead of a WIAC motion. The simulated dihedral fluctuation time-correlation functions of PMMA show that its segmental motions are substantially slower than the long-time component of rotational anisotropy by a factor of ~30-40, suggesting that the slow anisotropy decay component (~200 ps) reflects the static free volume element sizes in these polymers. This approach further reveals a larger free volume element size of 4.90 ± 0.04 Å for PPEA and 5.07 ± 0.04 Å in PMEA, having a longer sidechain length than that of PMMA (3.3 ± 0.03 Å), which could potentially impact the water permeability and hence biocompatibility of the respective polymers. Overall, the combined approach of IR pump-probe experiments, the discrete wavelet transform analysis method, and MD simulations employed in this study hold significant promise for investigating FVEs in various polymeric materials for potential biomedical applications.
Postoperative ileus in obstetric and gynecological practice: a prospective solution to the problem: A review
Authors: Trukhan Dmitry I. , Degovtsov Evgeny N. , Degovtsova Elena А. , Karasev Vladimir E.
Published: October 2023

In obstetric and gynecological practice, after operations on the abdominal cavity, the development of dynamic intestinal obstruction, which is referred to as postoperative ileus, is possible. The frequency of POI after gynecological surgery averages 1015% (range 525%). Chewing gum has been used in abdominal surgery and obstetric and gynecological practice to reduce postoperative intestinal obstruction since the beginning of the 21st century. The present review considers the main randomized clinical trials, reviews and meta-analyses devoted to the study of the effect of chewing gum after surgical interventions in obstetric and gynecological practice for the prevention of postoperative ileus. The data presented in the review indicate the effectiveness and safety of the use of chewing gum in the postoperative period for the prevention of postoperative ileus in obstetric and gynecological practice.
Chronic pelvic pain in endometriosis: from therapeutic Abstraction to clinical definition: A review
Authors: Orazov Mekan R. , Radzinski Viktor E. , Dolgov Evgeny D.
Published: October 2023

Currently, endometriosis is one of the most common and relevant gynecological conditions. It is characterized by a wide range of symptoms, with highly heterogeneous pain being one of the most typical. The unifying concept of the algological patterns of endometriosis is chronic pelvic pain, which contributes to a pronounced decrease in patients' quality of life. Therefore, it is necessary to analyze the key pathogenetic mechanisms of pelvic pain associated with endometriosis and to determine a personalized therapeutic approach based on them.
The role of the anti-Müllerian hormone/anti-Müllerian hormone receptor type II signaling pathway in the eutopic and ectopic endometrium in patients with deep endometriosis: A cross-sectional study
Authors: Chekeneva Natalya A. , Buralkina Natalya A. , Asaturova Aleksandra V. , Chuprynin Vladimir D.
Published: October 2023

Aim. To analyze the profile of anti-Mllerian hormone (AMH) and the expression level of the transmembrane AMH receptor type II (AMHRII) in the eutopic and ectopic endometrium of patients with deep infiltrative endometriosis (DIE).
Materials and methods. A comparative analysis of AMHRII expression in epithelial and stromal cells of eutopic and ectopic endometrial samples and the level of serum AMH in patients of reproductive age with DIE (n=50) and tuboperitoneal infertility (n=9) was performed.
Results. AMHRII expression in eutopic endometrial stromal cells of DIE patients was significantly higher compared to glandular cells in all study groups (p0.5). AMHRII expression was found to be significantly higher in glandular cells of the eutopic endometrium compared to the ectopic endometrium of pelvic peritoneal foci in DIE patients: 1.600.77 and 1.090.68 points, respectively (p=0.001).
Conclusion. The inhibitory effect of AMH on cell proliferation and the proven expression of AMHRII by eutopic and ectopic endometrioid cells may indicate the role of AMH in the pathogenesis of endometriosis and endometriosis-associated infertility.
POST-COVID-19-syndrome in young healthy women: myth or reality?
Authors: Belokrinitskaya Tatiana E. , Frolova Nataly I. , Mudrov Viktor A. , Kargina Kristina A. , Shametova Evgeniya A. , Zhamyanova Chimita Tch. , Osmonova Shakhnozakhon R.
Published: October 2023

Aim. To assess the incidence and severity of new persistent symptoms in somatically healthy young women with and without a history of COVID-19.
Materials and methods. The main study group included patients who had PCR-confirmed COVID-19 in JulyOctober 2021 (n=181); the comparison group included women without COVID-19 during this period (n=71). Inclusion criteria: female sex, age 1835 years, no pregnancy, overweight/obesity, diabetes mellitus, chronic hypertension, premenstrual syndrome, and other somatic and/or chronic infectious diseases. Post-COVID syndrome (PCS) was diagnosed based on symptoms absent before COVID-19, appeared 4 weeks from the disease onset, and lasted at least 2 months, which could not be explained by alternative diagnoses. We used primary medical records and interviewed patients using a special questionnaire to develop a statistical database. The severity of symptoms was assessed using a 10-point scale.
Results. New persistent symptoms during the pandemic in young, initially somatically healthy women with and without COVID-19 were reported with similar frequency: 96.1 and 93.0%, respectively (odds ratio OR 1.88, 95% confidence interval CI 0.586.14; p2=0.327). Only patients with COVID-19 reported cough (43.6%), shortness of breath (26.5%), chest pain (18.2%), weight loss (18.8%), hair loss (60.8%); in the comparison group, these symptoms were not reported; p20.001. Patients with PCS were more likely to experience memory impairment 49.2% vs 12.7% (OR 6.66, 95% CI 3.1314.21; p20.001); headache 43.1% vs 11.3% (OR 5.96, 95% CI 2.713.17; p20.001); depression 19.9% vs 8.5% (OR 2.69, 95% CI 1.086.7; p2=0.029); myalgia 31.5% vs 8.5% (OR 4.98, 95% CI 2.0412.17; p20.001). Patients of both groups showed similar frequency of fatigue (69.0% vs 71.8%; p2=0.66), drowsiness (54.9% vs 43.6%; p2=0.11), palpitations (19.7% vs 29.8%; p2=0.1), menstrual cycle changes (22.5% vs 21.0%; p2=0.865), and skin manifestations (2.8% vs 6.6%; p2=0.24). COVID-19 survivors had a more pronounced memory impairment (4.0 vs 1.0 points; p0.001), headache (5.0 vs 3.0 points; p=0.001), myalgia (5.0 vs 1.0 points; p0.001) and less severe insomnia (3.0 vs 5.0 points; p=0.004).
Conclusion. The PCS symptoms are common in initially somatically healthy women of early reproductive age. Similar symptoms in women with no history of COVID-19 may be due to post-traumatic stress anxiety disorder. Further interdisciplinary research is needed to identify the pathophysiological mechanisms for the occurrence of new persistent symptoms in different age and social groups during the COVID-19 pandemic.
Mastodynia: Current data on the causes, course, diagnosis, and treatment approaches. A review
Authors: Leschenko Olga Ya.
Published: October 2023

Mastodynia is a common clinical symptom in general medical and gynecological practice. The objectives of this literature review are to analyze scientific information on the epidemiology of mastodynia/mastalgia, the impact on quality of life, inconsistencies in the etiology determination, to formulate a diagnostic concept, classification, and treatment, and to assess the therapeutic effects of Vitex Agnus-Castus. Scientific publications over the past 30 years were searched in the main research databases, CochraneLibrary, PubMed, Science Direct, Google Scholar, and ELibrary, using the terms "mastalgia," "mastodynia," "Vitex Agnus-Castus," "chest pain," "chest pain, breast pain." The pathophysiology of mastodynia is multifaceted, with various etiology factors and independent ways of pain occurrence. Most studies have emphasized the importance of correctly classifying breast pain for accurate diagnosis and effective therapy to reduce the frequency and severity of pain episodes and improve quality of life while minimizing side effects. Vitex Agnus-Castus is safe and effective in the treatment of mastodynia.
Molecular genetic determinants of stress urinary incontinence in women: Prospective comparative study
Authors: Mikhelson Anna A. , Lugovykh Evgenia V. , Lazukina Maria V. , Tretyakova Tatiana B. , Varaksin Anatoly N. , Konstantinova Ekaterina D.
Published: October 2023

Aim. To identify the molecular genetic determinants of stress urinary incontinence (UI) in women.
Materials and methods. A comparative study involving 120 women was conducted. Group 1 (main group) included 80 women with UI. Group 2 (comparison group) included 40 women without UI. Statistic data processing was performed using the Excel software package, SPP Statistics 22.0, Statistica for Windows 10 (TIBCO Software Inc., Palo Alto, CA, USA). The mean and standard deviation were reported for quantitative variables with a normal distribution. The statistical hypotheses on the absence of intergroup differences for quantitative variables with normal distribution were verified using Student's test. The absolute and relative values (in percent) were reported for qualitative variables. The chi-square test was used to verify the statistical hypotheses.
Results. Molecular genetic predictors of UI in women are the carriage of polymorphisms of the estrogen receptor gene ESR1:-351_G and the type I collagen gene COL1A1:1546_T. These polymorphisms can be considered as genotypes of "risk" since their carriage is associated with an increased risk of UI.
Conclusion. Genetically determined disorders of the estrogen receptor function and type I collagen synthesis can be one of the essential mechanisms of stress incontinence occurrence. Studying molecular genetic determinants of stress incontinence can provide a deeper understanding of its pathogenetic mechanisms and develop a personalized approach to surgical correction.
Prospects for hormonal contraception in patients with breast diseases: the Mona Lisa smile effect. A review
Authors: Orazov Mekan R. , Radzinskiy Viktor E. , Dolgov Evgeny D.
Published: October 2023

Breast diseases (BD) are among the most urgent issues of modern reproductive medicine. This organ is an integral part of the female reproductive system and undergoes cyclic changes during the menstrual cycle. The modern "nosological trio" of BD is mastodynia, benign dysplasia, and breast cancer. These diseases have an extremely high prevalence, and breast cancer, in turn, ranks 1st in the structure of mortality from malignant neoplasms of the female reproductive system. All these aspects warrant the research of the key pathogenetic mechanisms of these conditions. However, one of the most relevant topics in modern gynecology is the counseling on the selection of contraceptive methods in these patients. Therefore, it is necessary to address the safety of hormonal contraceptive methods and to analyze innovations in hormonal contraceptives, which may have several protective and risk-reducing properties for BD.
Risk factors for in vitro fertilization failures in women with adenomyosis-associated infertility
Authors: Orazov Mekan R. , Mikhaleva Liudmila M. , Radzinskiy Viktor E. , Khamoshina Marina B. , Barinova Abecha K. , Aryutin Dmitry G. , Tsaregorodtseva Marina V. , Besman Irina V. , Ibragimova Vafa Yu.
Published: October 2023

Aim. To identify risk factors for in vitro fertilization (IVF) failures in women with adenomyosis-associated infertility.
Materials and methods. The study included 83 patients of reproductive age with adenomyosis. Women were divided into two groups: the main group (n=53) included patients with adenomyosis and a history of 1 or more unsuccessful attempts at embryo transfer, and the comparison group (n=30) included women with adenomyosis without impaired fertile function. The mean age of the patients was 364.0 years.
Results. Gynecological conditions such as cervical dysplasia, noninflammatory vaginal diseases, and a history of sexually transmitted infections (STIs) were significantly (5-fold) more common in patients with a history of IVF failures (p0.05). A high prevalence of endocrine and digestive system disorders (27.7 and 7.7 times, respectively) was found in infertile women with adenomyosis (p0.05). Coagulation disorders were identified 4.8 times more often in women with adenomyosis-associated infertility and IVF failures. Inflammatory and proliferative endometrial diseases (hyperplasia, intrauterine synechia, and chronic endometritis) were significantly more common in patients in the main group than in patients with adenomyosis without impaired fertility (p0.05).
Conclusion. Risk factors for IVF failure in women with adenomyosis-associated infertility are other specified coagulation defects [D68.8] (antiphospholipid syndrome), odds ratio (OR) 4.8, 95% confidence interval (CI) 1.120.9; dysplasia of cervix uteri, unspecified [N87.9] (OR 10.2, 95% CI 1.292.4), other noninflammatory disorders of vagina [N89.7] (OR 10.2, 95% CI 1.292.4), STIs (OR 12.7, 95% CI 1.4112.5), endocrine system disorders (OR 27.7, 95% CI 1.5516.5), and digestive system disorders (OR 7.8, 95% CI 2.227.8).
Questions of systemic and topical antibacterial therapy of acute rhinosinusitis in a child
Authors: Karpova Elena P. , Tulupov Denis A. , Emel'yanova Maria P. , Naumov Oleg G.
Published: October 2023

Background. Acute otitis media is the most common complication of acute respiratory viral infection in children under 6 years of age. More than 90% of children suffer from acute otitis media in the first 5 years of life. Ear pain is one of the main symptoms of acute otitis media and determines the patient's well-being.
Aim. To evaluate the efficacy and tolerability of the use of ear drops based on the combination of phenazone and lidocaine in the local therapy of acute otitis media in the preperforative stage in children.
Materials and methods. A retrospective analysis of the outpatient records of 50 patients with complaints of symptoms of acute otitis media was performed.
Results. Based on the analysis of medical records, it was found that the use of ear drops based on a combination of phenazone and lidocaine can significantly reduce the severity of ear pain in acute otitis media within 3 minutes. The use of ear drops based on the combination of phenazone and lidocaine for a course of 7 days allows most patients to abandon the use of systemic forms of analgesics. No patient has been reported to have developed adverse events associated with the use of phenazone-lidocaine combination ear drops.
Conclusion. The use of ear drops based on a fixed combination of lidocaine + phenazone is not only a highly effective and safe drug for the treatment of acute otitis media in the preperforative stage in children, but also a fast symptomatic therapy, which physicians after otoscopy can use as the method of choice to reduce patients' ear pain already during the initial examination.
Is dietary therapy for acute intestinal infections necessary? A review
Authors: Bekhtereva Maria K.
Published: October 2023

The article addresses various aspects of dietary nutrition of children with diarrheal diseases (DDs). Dietary adjustment in pediatric DDs is detailed. Nutrition is the most essential part of the treatment of such patients. The approach to dietary adjustment in DDs depends on the child's age, the nature of previous feeding, the severity and phase of the underlying disease, and the presence of comorbidities. Lactase deficiency is the most common enzymatic insufficiency; its symptoms in infectious diarrheas should be considered when choosing a diet both in the acute phase of the disease and in convalescence. The article discusses in detail the benefits of fermented foods based on dairy vs. oatmeal in DDs.