A solution to the problem of clustered objects compact partitioning

The urgency of the study consists in the fact that an object arrangement topology of a distributed system is often nonuniform. Objects can be placed at different distances from each other, thus forming clusters. That is why solving the problem of compact partitioning into sets containing thousands of objects requires the most effective way to a better use of natural structuring of objects that form clusters. The aim of the study is the development of methods of compact partitioning of sets of objects presented as clusters. The research methods are based on applied theories of sets, theory of compact sets and compact partitions, and linear programming methods with Boolean variables. As a result, the paper offers the method necessary to analyze composition and content of clusters. It also evaluates cluster compactness, which results in the decision to include clusters into the sets of partitions. It addresses the problem of optimizing the rearrangement of objects between compact sets that form clusters, which is based on the criteria of maximizing the total compactness of sets. The problem is formulated in the class of objectives of linear programming methods with Boolean variables. It introduces the example of object rearrangement

Orbital Nature of Carboionic Monoradicals Made from Diradicals

The electronic, optical, and solid state properties of a series of monoradicals, anions and cations obtained from starting neutral diradicals have been studied. Diradicals based on s-indacene and indenoacenes, with benzothiophenes fused and in different orientations, feature a varying degree of diradical character in the neutral state, which is here related with the properties of the radical redox forms. The analysis of their optical features in the polymethine monoradicals has been carried out in the framework of the molecular orbital and valence bond theories. Electronic UVVis-NIR absorption, X-ray solid-state diffraction and quantum chemical calculations have been carried out. Studies of the different positive-/negative-charged species, both residing in the same skeletal π-conjugated backbone, are rare for organic molecules. The key factor for the dual stabilization is the presence of the starting diradical character that enables to indistinctively accommodate a pseudo-hole and a pseudoelectron defect with certainly small reorganization energies for ambipolar charge transport.The authors thank the Spanish Ministry of Science and Innovation (projects MINECO/FEDER PGC2018-098533-B-100 and PID2021-127127NB-I00) and the Junta de Andalucía, Spain (UMA18FEDERJA057 and Proyecto de Excelencia PROYEXCEL- 00328). We also thank the Research Central Services (SCAI) of the University of Málaga and the US National Science Foundation (CHE-1954389 to M.M.H., CHE-2003411 to M.A. P.). F.N and Y.D. acknowledge support from “Valutazione della Ricerca di Ateneo” (VRA)-University of Bologna. Y.D. acknowledges Ministero dell’Università e della Ricerca (MUR) for her Ph.D. fellowship. Funding for open access charge: Universidad de Málaga / CBU

Реализация противоопухолевых лекарственных препаратов в розничном сегменте фармацевтического рынка Российской Федерации

Objective: to study the features of the population consumption of antitumor drugs (ATDs) of groups L01 and L02 according to the anatomical, therapeutic and chemical classification (ATC), purchased at the expense of personal funds of citizens in the retail sector of the pharmaceutical market of the Russian Federation (RF).Material and methods. We analyzed data on the range of ATDs sold in retail pharmacies in all federal districts of the RF in 2020–2023. The methods of comparative, retrospective, logical, graphical and content analysis, the method of grouping data by ATC groups and methods of descriptive statistics were used.Results. At the end of 2022, in the RF, about 6 million packages of ATDs worth 6.5 billion rubles were purchased at the expense of citizens’ personal funds, i.e. approximately 1/6 of the total sales of oncology medications in monetary terms and 3.0% of the total sales in physical terms. The maximum sales in monetary terms per 100 thousand population were noted in the Central, Northwestern and Southern Federal Districts. The Central Federal District accounts for about 50% of total sales of ATDs in monetary terms and 35% of sales in physical terms. The maximum costs were for medications in ATC groups L01B Antimetabolites, L02A Hormones and related compounds and L02B Hormone antagonists and related compounds. The average shares of ATDs in the ATC group L01B were 32.8% in total sales in monetary terms and 50.8% in physical terms, in the ATC group L02B – 27.3% and 31.9%, L02A – 21.8% and 5.7%, L01X – 8.9% and 7.9%, respectively. In the RF as a whole, the top-3 international nonproprietary names of greatest demand in the pharmaceutical market retail segment included methotrexate, buserelin and anastrozole, which account for more than 40% of sales volume in monetary terms.Conclusion. The obtained results can be used by healthcare organizers to clarify the real need for ATDs, as well as to improve drug care for cancer patients.Цель: изучение особенностей популяционного потребления противоопухолевых лекарственных препаратов (ПЛП) групп L01 и L02 по анатомо-терапевтическо-химической классификации (АТХ), приобретаемых за счет личных средств граждан в розничном секторе фармацевтического рынка Российской Федерации (РФ).Материал и методы. Проанализированы данные о номенклатуре и объемах отпуска ПЛП в аптечных организациях всех федеральных округов РФ в 2020–2023 гг. Использованы методы сравнительного, ретроспективного, логического, графического и контент-анализа, метод группировки данных (в соответствии с принадлежностью к группам по АТХ-классификации) и методы описательной статистики.Результаты. По итогам 2022 г. в РФ за счет личных средств граждан приобретено около 6 млн упаковок ПЛП на сумму 6,5 млрд руб., что составляет 1/6 часть совокупного объема реализации онкологических средств в натуральном выражении и 3,0% совокупного объема реализации в стоимостном выражении. Наибольшие значения объемов продаж в денежном выражении в пересчете на 100 тыс. населения отмечены в Центральном, Северо-Западном и Южном федеральных округах. На Центральный федеральный округ приходится около 50% общего объема реализации ПЛП в стоимостном выражении и 35% объема реализации в натуральном выражении. Наибольшие затраты приходились на лекарственные препараты АТХ-групп L01B Антиметаболиты, L02А Гормоны и родственные соединения и L02B Антагонисты гормонов и родственные соединения. Средние доли препаратов АТХ-группы L01B составили 32,8% в общем объеме продаж в стоимостном выражении и 50,8% в натуральном выражении, групп L02В – 27,3% и 31,9%, L02А – 21,8% и 5,7%, L01X – 8,9% и 7,9% соответственно. В целом по РФ в топ-3 международных непатентованных наименования, пользующихся наибольшим спросом в розничном сегменте фармацевтического рынка, входят метотрексат, бусерелин и анастрозол, на долю которых приходится более 40% объема продаж в стоимостном выражении.Заключение. Полученные результаты могут быть использованы организаторами здравоохранения для уточнения реальной потребности в ПЛП, а также для совершенствования лекарственной помощи онкологическим больным

A Biradical Balancing Act: Redox Amphoterism in a Diindenoanthracene Derivative Results from Quinoidal Acceptor and Aromatic Donor Motifs

The reduced and oxidized states of an open-shell diindeno­[<i>b,i</i>]­anthracene (<b>DIAn</b>) derivative have been investigated by experimental and theoretical techniques. As a result of moderate biradical character and the ability of cyclopenta-fused scaffolds to stabilize both positive and negative charges, <b>DIAn</b> exhibits rich redox chemistry with four observable and isolable charged states. Structural and electronic properties of the <b>DIAn</b> system are brought to light by UV–vis–NIR and Raman spectroelectrochemical measurements. Aromatization of the diindeno-fused anthracene core upon successive single-electron injections is revealed through single-crystal X-ray diffraction of radical anion and dianion salts. We present a rare case where the pseudoaromatic/quinoidal ground state of a neutral biradical polycyclic hydrocarbon leads to a stable cascade of five redox states. Our detailed investigation of the transformation of molecular structure along all four redox events provides a clearer understanding of the nature of charge carriers in ambipolar organic field-effect transistors

Effects of the total replacement of fish-based diet with plant-based diet on the hepatic transcriptome of two European sea bass (Dicentrarchus labrax) half-sibfamilies showing different growth rates with the plant-based diet

Background: Efforts towards utilisation of diets without fish meal (FM) or fish oil (FO) in finfish aquaculture have been being made for more than two decades. Metabolic responses to substitution of fishery products have been shown to impact growth performance and immune system of fish as well as their subsequent nutritional value, particularly in marine fish species, which exhibit low capacity for biosynthesis of long-chain poly-unsaturated fatty acids (LC-PUFA). The main objective of the present study was to analyse the effects of a plant-based diet on the hepatic transcriptome of European sea bass (Dicentrarchus labrax). Results: We report the first results obtained using a transcriptomic approach on the liver of two half-sibfamilies of the European sea bass that exhibit similar growth rates when fed a fish-based diet (FD), but significantly different growth rates when fed an all-plant diet (VD). Overall gene expression was analysed using oligo DNA microarrays (GPL9663). Statistical analysis identified 582 unique annotated genes differentially expressed between groups of fish fed the two diets, 199 genes regulated by genetic factors, and 72 genes that exhibited diet-family interactions. The expression of several genes involved in the LC-PUFA and cholesterol biosynthetic pathways was found to be up-regulated in fish fed VD, suggesting a stimulation of the lipogenic pathways. No significant diet-family interaction for the regulation of LC-PUFA biosynthesis pathways could be detected by microarray analysis. This result was in agreement with LC-PUFA profiles, which were found to be similar in the flesh of the two half-sibfamilies. In addition, the combination of our transcriptomic data with an analysis of plasmatic immune parameters revealed a stimulation of complement activity associated with an immunodeficiency in the fish fed VD, and different inflammatory status between the two half-sibfamilies. Biological processes related to protein catabolism, amino acid transaminations, RNA splicing and blood coagulation were also found to be regulated by diet, while the expression of genes involved in protein and ATP synthesis differed between the half-sibfamilies. Conclusions: Overall, the combined gene expression, compositional and biochemical studies demonstrated a large panel of metabolic and physiological effects induced by total substitution of both FM and FO in the diets of European sea bass and revealed physiological characteristics associated with the two half-sibfamilies

Circulation of Fungi of the Genus Candida in Children's and Adult Multi Purpose Hospitals

The aim of the work is to study the circulation of fungi of the genus Candida in children's and adult multi purpose hospitals.Materials and methods. A total of 61,226 studies of material obtained from patients in the children's hospital were performed. A positive result was registered in 27 060 cases (44.2%). In an adult hospital, 8647 samples were tested, of which 1988 (23.0%) were positive.Results and discussion. Among the representatives of the fungi of the genus Candida, C. albicans 752 strains (61.3%) were isolated in the overwhelming number of patients of the children's hospital, C. papapsilosis – 15.1%, C. famata – 11.6%, and C. glabrata – 8.0%. Other representatives of the genus were rare enough, in particular: C. krusei and C. gullermondii – 1.1%, respectively. The greatest number of fungi of the genus – was allocated from patients in the Department of Resuscitation and Intensive Care – 467 strains (38.1% of all the fungi isolated), 186 strains (15.2%) in the Otorhinolaryngological department, 87 out of 87 (7.1%), in the Departments of Planned Surgery and Urology – 86 (7.0%), Surgical Intensive Care Unit – 72 (5.9%), in The Department of Infectious Diseases with Surgical Pathology – 65 (5.3%). C. albicans was sown both in monoculture – 47.4%, and in associations – 52.6%. Other representatives of fungi were also approximately equally found in mono- and in microcultures. In the children's multi purpose hospital, 11 species of Candida fungi with a predominance of C. albicans circulated. In the adult multi purpose hospital for two years was isolated from the patients 137 cultures of Candida fungi.Conclusions. The probability of isolating fungi from a locus is determined by the profile of the Department, as well as by the primary pathology with which patients entered the hospital. In both children's and adult hospitals, the most common Candida fungi have been isolated from the Department of Resuscitation and Intensive Care patients mainly from sputum and urine, less often from blood, separated wounds, abdominal cavity and from cerebrospinal fluid (only in children). Against the background of a wide circulation of fungi in the hospital, colonization of patients is possible with the subsequent development of the infectious process, mainly in people at risk