bluuebunny/crossref_metadata_2025 huggingface dataset:
Endophytic fungal community associated with the mangrove plant, Aegiceras corniculatum with the predominance of Penicillium citrinum and Colletotrichum siamense: A reservoir of biocatalysts and antibacterial molecules
Authors: Revathy M.R. , Anjali S. Mohan , Dhanya Kesavan , Manomi S. , Rosamma Philip
Published: January 2025

This study explored the endophytic fungal community associated with the leaves of a mangrove plant, Aegiceras corniculatum. An isolation frequency of 9.53% was observed and 102 endophytic fungi could be isolated and maintained. The isolates displayed diverse colony morphologies, predominantly belonging to Ascomycota (95%) and a minor portion to Basidiomycota (5%). Within Ascomycota, the most represented classes were Sordariomycetes, Eurotiomycetes and Dothideomycetes. The most abundant genera were Penicillium (27%), Colletotrichum (24%) and Alternaria (13%). Totally seventeen endophytic fungal species were identified from Aegiceras corniculatum.

Penicillium citrinum (22%), Colletotrichum siamense (21%) and Alternaria alternata (13%) were the predominant species. The colonization frequency indicated Penicillium citrinum as the most prevalent species at 2.3%, followed by Colletotrichum siamense at 2% and Alternaria alternata at 1.2%. The isolates demonstrated significant hydrolytic enzyme production and antimicrobial activity, indicating their potential utility in aquaculture and medicine.
Exploring the impact of Chlamydomonas reinhardtii Artificial Culture Medium on Ammonium and Phosphate Removal in Aquaculture Wastewater
Authors: Nguyen My Phi-Long , Le Pham Dan-Khanh , Nguyen Tran Thuy Thanh-Mai , Nguyen Duc-Hung , Nguyen Thi Gia-Hang
Published: January 2025

This study utilized Chlamydomonas reinhardtii, an algal strain isolated from shrimp aquaculture wastewater ponds in Ca Mau province to investigate its capacity for ammonium and phosphate removal from wastewater. Cultivation occurred in both Tris-Phosphate-Acetate (TAP) and Bold's Basal Medium (BBM) under controlled conditions: a temperature of 25 ± 1 0C and a 24-hour light cycle provided by light-emitting diodes (LEDs). Over 28 days, four different concentrations of ammonium and phosphate were tested.

Results demonstrated that algal biomass in the BBM medium exceeded threefold. Optimal algal biomass was observed at approximately 1.0 mg N.L⁻¹ ammonium concentration and about 5.0 mg P.L⁻¹ phosphate concentration. Notably, in the BBM medium, ammonium levels decreased rapidly within 7 days at a concentration of 4.0 mg N.L⁻¹ whereas in the TAP medium, it required 14 days. Conversely, phosphate concentration decline commenced after 14 days in both algal culture environments.
In vitro inhibition potential of Aegle marmelos (L.) Correa on colon cancer cell lines, HCT-116
Authors: Mobram Mina , Williams Prakash G. , Nair Ananthakrishnan J.
Published: January 2025

The study aimed to investigate the inhibition potential of various solvent extracts of different parts of Aegle marmelos (L.) Correa against colon cancer cell lines. In vitro anticancer activity on HCT-116 colon cancer cell lines was evaluated by MTT assay. Morphological and molecular techniques such as LC-MS/MS spectrometry and NMR spectrometry were used to characterize the identity of the isolate from which the most potent cytotoxic extract was obtained. MTT assay results showed that the growth of HCT-116 cell lines was inhibited significantly.

The assay revealed the maximum inhibition in cell viabilities indicated by the bark chloroform and the fruit hexane extracts in 1000 μg/mL concentrations after 48 h. To conclude, the results of this study suggest that A. marmelos (L.) Correa could be an effective anticancer candidate to inhibit colon cancer cells.
Dissecting Salt Stress-Induced Proteomic Changes in Pigeonpea (Cajanus cajan L. Millspaugh) Leaves: A Detailed Analysis of Stress-Responsive Protein Dynamics
Authors: Bangaru Naidu Thaddi
Published: January 2025

Salinity is a major abiotic stress that poses significant challenges to global agriculture by reducing crop productivity and soil fertility. In pigeonpea (Cajanus cajan L. Millspaugh), comprehensive studies investigating proteomic responses to salt stress are limited. This study aims to establish a detailed proteomic profile for two pigeonpea varieties: ICPL 87119 (salt-tolerant) and ICPL 85063 (salt-sensitive) under NaCl-induced salt stress. The study evaluated the effects of different NaCl concentrations (0, 50 mM, 100 mM, 150 mM and 200 mM) on seedling growth including parameters such as plant height, fresh weight and leaf necrosis. Leaf protein profiles were analyzed using two-dimensional gel electrophoresis (2-DGE) to identify differentially expressed proteins under salt stress. Proteins from plants subjected to 150 mM NaCl stress were identified and characterized using MALDI-TOF-MS with a focus on proteins related to photosynthesis, ion transport and stress response mechanisms.

Protein spots that exhibited differential expression were analyzed using PDQuest software. The results showed that salt stress significantly reduced plant growth and increased leaf necrosis, particularly at higher NaCl concentrations. Key proteins involved in photosynthesis such as the RuBisCO Large Subunit-Binding Protein Subunit Beta and ATP Synthase Subunit Beta, were differentially expressed. Proteins associated with ion transport, including the Glutamine Synthetase Leaf Isozyme and stress response proteins, such as Heat Shock Protein 7, also showed significant changes in expression. These findings highlight the critical roles of these proteins in the adaptive response of pigeonpea to salt stress. This study provides essential insights into the proteomic dynamics of pigeonpea under salinity, revealing key proteins and pathways involved in salt tolerance. The identified proteins represent potential targets for future research and biotechnological interventions to improve crop performance under adverse conditions.
In silico Analysis of Bioactive Compounds from Pithecellobium dulce: A Promising Approach for Targeting Proteins in Rheumatoid Arthritis
Authors: Dongre Nilima , Tungal Soumya , Parvatikar Prachi
Published: January 2025

Rheumatoid Arthritis (RA) is a chronic autoimmune disorder that causes joint and bone destruction, severe pain, stiffness and disability, decreasing the quality of life for those affected. The study evaluated Pithecellobium dulce as a potential RA treatment using in silico analysis. Pithecellobium dulce's key bioactive components were tested for their ability to suppress rheumatoid arthritis (RA). Molecular binding experiments were carried out, evaluating their interactions with the new RA target proteins IkBα and MMP1, as well as their drug-likeness and toxicity. To investigate the efficacy and safety of bioactive compounds in the treatment of RA, molecular dynamics (MD) simulations were performed using IMOD software.

The selected compounds, assessed through ADMET analysis, exhibited favourable drug-like properties like low toxicity. Additionally, molecular docking demonstrated strong binding energy with the target proteins. Further, MD simulations confirmed the stability and efficacy of the compound-protein complexes. These findings suggest that the bioactive compounds have potential therapeutic value. However, further in vivo and in vitro studies are necessary to determine its effectiveness and to validate its pharmacological activity conclusively.
Impact of Antibiotic Oral Infusions on the Development of Cognitive Dysfunctions
Authors: Murugan Mukilan
Published: January 2025

Cognitive impairment was observed as a serious mental health problem ranging from mild cognitive loss to dementia. This cognitive impairment was stated as impairment in the gut microbiota-brain communication. In a healthy state, gut microbiota plays an unavoidable role in the regulation of cognitive functions like memory formation, anxiety, stress and mood. However, the stated cognitive functions may be hindered by the aberration of gut microbiota through pathogenic colonization/continuous antibiotic intake during disease conditions. Imbalance in this gut microflora further results in the development of oral/gut dysbiosis. Formed oral/gut dysbiosed state shows a decrease in the production of neurotransmitter precursor compounds (NPCs) in the gut, which has an impact on impaired cognitive memory formation. Recent reports have shown that colonization of periodontal/non-periodontal pathogens results in the formation of cognitive decline during dysbiosed state in oral/gut microbiota. The present study made an initial attempt to study the impact of antibiotic oral intake on cognitive memory formation through oral/gut dysbiosis. A comparative two-phased behavioral analysis [primary phase of behavioral studies (PPBS) and secondary phase of behavioral studies (SPBS)] was used to study the impact of antibiotics on the development of cognitive dysfunctions based on a reward-based learning paradigm (RBLP).

Results of the present study showed that gentamicin sulphate oral infusions result in the development of cognitive impairment through the formation of oral/gut dysbiosis. Obtained behavioral scores showed that repeated antibiotic intake may result in the development of cognitive dysfunctions through oral/gut dysbiosis. The formed oral/gut dysbiosis results in the development of impaired LTM formation in the infused behavioral study groups compared to non-infused behavioral study groups. Thus the present study proved that intake of antibiotics in a higher concentration or for a longer period may result in the development of cognitive dysfunctions.
Nanotechnology: A Way for Active Targeting of Cancer Cells
Authors: Sharma Rama
Published: January 2025

Since cancer is one of the top causes of death, researchers have been working hard for cancer management. Creating drugs that can be utilized for both early detection and efficient treatment, is one of the most challenging parts of cancer treatment. Traditional cancer treatment is linked with a high risk of serious chemotherapeutic side effects and occasionally lacks precise technology for early tumour identification. It was thought that a medication that could serve as a "magic bullet" and could only recognize cancer cells, was required for better therapeutic ratio, defined as the distinction between how treatment impacts cancer cells against healthy tissues.

Nanoparticle systems provide numerous potentially efficient approaches for developing customized cancer detection and treatment medications. There are two methods for targeting nanoparticles: passive targeting and active targeting. Nanoparticles can be effectively localized inside the tumour microenvironment with passive targeting. Due to their active targeting, nanoparticles can be actively taken up by tumour cells.
Быстрое вычисление чисел Бернулли
Authors: АЙДАГУЛОВ Р.Р. , ГЛАВАЦКИЙ С.Т.
Published: January 2025

ЧислаБернулли часто встречаются в математическом анализе, теории чисел, комбинаторике и в других областях математики. В некоторых монографиях по теории чисел имеются отдельные главы, посвященные только числам Бернулли и их свойствам. Алгоритмы вычисления чиселБернулли встроены во все популярные математические пакеты:Mathematica,Matlab,Magma,PariGPи т.д. В настоящей работе предлагается более быстрый, по сравнению с известными, алгоритм для вычисления чиселБернулли. Суть нашего подхода заключается в усовершенствовании мультимодулярного метода Харвея за счет разрежения больших вычисляемых сумм, когда мы выражаем суммы по половине интервала через суммы в интервалах длины 1/12 или даже 1/15 длины интервала суммирования. В работе доказано, что такого сокращения интервалов суммирования удается достичь для подавляющего большинства простых чисел. При этом неудобные простые числа (а их не больше 0.01 при больших значенияхn) можно просто исключить из списка тех, по модулю которых считается очередное число Бернулли. Предлагаемый нами в статье алгоритм быстрого вычисления (ускорение более чем втрое, по сравнению с алгоритмом Харвея) чисел Бернулли по модулям простых чисел может быть успешно использовано и для нахождения иррегулярных простых чисел, иррегулярных пар, а такжепри вычислении инвариантов Ивасавы.При вычислении иррегулярных пари инвариантов Ивасавы приведенный в нашей работе алгоритм значительно (более чем в 10 раз) более эффективен.

Bernoulli numbers are often found in mathematical analysis, number theory, combinatorics, and other areas of mathematics. In some monographs on number theory there are separate chapters devoted only to Bernoulli numbers and their properties. Algorithms for calculating Bernoulli numbers are built into all popular mathematical packages: Mathematica, Matlab, Magma, Pari GP, etc. In this paper, we propose an algorithm for calculating Bernoulli numbers, which is faster than the known ones. The essence of our approach is to improve the Harvey multimodular method due to making sparse of large calculated sums, when we express the sums in half the interval in terms of sums in the intervals of length 1/12 or even 1/15 of the length of the summation interval. It is proved in the paper that such a reduction in the summation intervals can be achieved for the vast majority of prime numbers. At the same time, inconvenient prime numbers (and there are them no more than 0.01 for large values of n) can be simply excluded from the list those by modulo of which the current Bernoulli number is calculated. The algorithm of fast calculation proposed by us in the article (acceleration is more than three times as compared with the Harvey algorithm) of Bernoulli numbers modulo prime numbers can also be successfully used to find irregular prime numbers, irregular pairs (p, n), and also when calculating Iwasawa invariants. When calculating the irregular pairs (p, n) and Iwasawa invariants, the algorithm presented in our work is significantly (more than 10 times) more efficient.
Алгоритм разработки и создания цифрового академического словарного корпуса русского языка
Authors: ЛЕСНИКОВ С В. , ЛЕСНИКОВ А В. , ЛЕСНИКОВ Г С. , ФАРИНА А М.
Published: January 2025

В данной статье рассматриваются академические толковые словари русского языка /РЯ/(прежде всего, БАС, СРНГ, МАС, СРЯ 18951937)как ядро (основа) академического словарного корпуса (АСК) 14,с.213214 15, с. 11111418,с.252827,с.22625732,с.7683 35, с.98102 РЯ, а также алгоритм, концепция и принципы разработки и создания АСК РЯ. АСК конструируетсяв форме ГИЗАУРУСА (гипертекстового тезауруса) 5, с.11912522, с.268269 25, с.280281 в нелинейной форме с учетом реляционных, иерархических и сетевых парадигматических связей, что позволит посредством соответствующей классификации и систематизации, дигитализации и ретродигитизации академических толковых словарей РЯ структурировать и объединить лексикографические материалы, обеспечив тем самымих оперативный ввод в научный оборот с целью оптимизации научных исследований в современной лексикографии. Научная значимость АСК определяется необходимостью централизованного описания русской лексики, так как многочисленные разработки в исследуемой области и каждая в отдельности имеют собственные задачи и направление исследования, что не позволяет увидеть полную языковую картину Российской Федерации, которую может показать информационнопоисковый /ИП/ АСК. Для этой цели предполагается смоделировать, разработать и создать работоспособный интерактивно пополняемый ИП АСК РЯ, позволяющий объединить в единую базу различные лексикографические источники.

In this research project, it is planned to construct an information retrieval set of academic dictionaries of the Russian language in the form of information retrieval academic vocabulary. Academic dictionaries of the Russian language is developed in the form of hypertext information retrieval system in a nonlinear form, taking into account the relational, hierarchical and network paradigmatic relations through the implementation of syntagmatic relations in an interactive mode on a personal computer digitized academic dictionaries of the Russian language, which will allow on the basis of digital technology through appropriate classification and systematization of dictionaries, reference books and encyclopedias of the Russian language to combine lexicographic materials, to ensure their rapid entry into scientific circulation to optimize scientific research in modern lexicography. Relevance of operation is caused by need of generalization of scientific results for the purpose of determination of the priority directions of research in the specified area.
Sorption activity of the epithelium of the oral cavity in residents of Arkhangelsk depending on body mass index
Authors:   Candidate of Biological Sciences, senior researcher, Laboratory of Environmental Immunology of the Institute of Natural Adaptations, N. Laverov Federal Center for Integrated Arctic Research of the Ural Branch of the Russian Academy of Sciences, Arkhangelsk, Russia, Shtaborov V.A. , Patrakeeva V.P. ,   Candidate of Biological Sciences, Head. Laboratory of Ecological Immunology of the Institute of Natural Adaptations, N. Laverov Federal Center for Integrated Arctic Research of the Ural Branch of the Russian Academy of Sciences, Arkhangelsk, Russia
Published: January 2025

The purpose of the study: to study the features of the sorption activity of the epithelium of the oral mucosa, depending on the body mass index. A survey of 61 practically healthy women living in Arkhangelsk aged 19 to 45 years was conducted. According to the results of the distribution, two groups were formed depending on BMI: BMI > 25 (30 people) and BMI < 25 (31 people). To exclude the metabolic syndrome, a study of the main parameters of the lipid profile was conducted. The sorption activity of the epithelium in the separated oral mucosa in the group with a BMI >25 was lower compared with the group of subjects with normal weight. The average number of peripheral blood leukocytes in the examined group with a BMI>25 was statistically significantly higher (6.67±0.88 ×10^9 cells/l compared with 4.94±0.06 ×10^9 cells/l) due to neutrophil granulocytes (3.75±0.27 ×10^9 cells/l versus 2.50±0.18 ×10^9 cells/l). Their content levels did not go beyond the reference values. The average level of the proinflammatory cytokine IL-1β in the supernatant of oral fluid in individuals with a BMI >2.5 was twice as high (20.19±2.95 pg/ml compared with 10.95±1.80 pg/ml). The average levels of IL-1β in peripheral blood in individuals of both groups studied do not exceed the physiological norm, and the average levels of this proinflammatory cytokine in the supernatant of oral fluid are 2-4 times higher than in the cut, it can be assumed that the local synthesis of this cytokine. low levels of sorption activity of the oral epithelium in individuals with a BMI >25 may indicate a risk of developing metabolic syndrome.
Thus, in individuals with a BMI > 25, a decrease in the levels of sorption activity of the oral epithelium was revealed, as well as a twofold increase in the average levels of IL-1β in the supernatant of the oral fluid, which suggests a more intense inflammatory reaction of the oral mucosa, the chronization of which can lead to metabolic changes, and, as a result, can contribute to the development of metabolic syndrome. At the same time, the average levels of IL-1β in peripheral blood do not change, which emphasizes the relative autonomy of the local immune response. Concentrations of the proinflammatory cytokine IL-1β in the oral fluid, which are many times higher than the average levels of IL-1β in peripheral blood, indicate a predominantly local synthesis of this inflammatory mediator.
Keywords: Sorption, epithelium, obesity.
Assessment of epidemiological safety of drinking water by microbiological indicators in the Russian Federation and the Republic of Bashkortostan
Authors:   junior researcher at the Department of Complex problems of human hygiene and ecology, Ufa Research Institute of Occupational Medicine and Human Ecology, Rakhimova A.R. , Valeev T.K. ,   PhD, senior researcher of the department of complex problems of human hygiene and ecology, Ufa Research Institute of Occupational Medicine and Human Ecology, Suleimanov R.A. ,   MD, chief researcher of the department of complex problems of human hygiene and ecology, Ufa Research Institute of Occupational Medicine and Human Ecology, Baktybaeva Z.B. ,   PhD, senior researcher of the department of complex problems of human hygiene and ecology, Ufa Research Institute of Occupational Medicine and Human Ecology, Rakhmatullin N.R. ,   PhD, senior researcher of the department of complex problems of human hygiene and ecology, Ufa Research Institute of Occupational Medicine and Human Ecology, Stepanov E.G. ,   PhD, Head of Department of complex problems of human hygiene and ecology, Ufa Research Institute of Occupational Medicine and Human Ecology
Published: January 2025

The aim of the study was to assess the epidemiologic safety of drinking water for the population based on the correlation-regression relationship between the incidence of intestinal infections and drinking water samples that do not meet sanitary and microbiologic indicators. Official data on the quality of water from drinking water supply sources and morbidity rates of the population were used for the analysis.
Correlation and regression analysis calculations were performed using the data analysis package in Microsoft Excel. The dependent variable y is the share of water samples non-compliant by microbiological indicators, and the independent variable x is the morbidity rate per 100,000 population by individual nosologies. The sample is equal to n=10 for 2013 and 2022. Variables x are dependent on each other, to exclude multicollinearity between variables, regression analysis was performed stepwise (y1-x1, y1-x2, etc.). Calculations were performed between variables with medium and high correlation coefficients.
The obtained mathematical model can be improved and used to find the relationship between poor-quality drinking water and morbidity of the population also in other diseases.
Keywords: water supply, acute intestinal infections, distribution network, water supply.
URBAN THEMES IN ZHOU LONG’S ORATORIO
Authors: BI WENJUN
Published: January 2025

The creative heritage of the outstanding modern Chinese-American composer Zhou Long harmoniously combines specific techniques of folk music and modern compositional techniques. One of his major works is the oratorio “Men of Iron and the Golden Spike”, which is based on a true tragic story about the death of Chinese workers during an avalanche on the Sierra Nevada pass during the construction of the railway in the 1860s. The author of the article introduces this work into Russian-language scientific usage, considering it as a vivid example of a modern oratorio on urban themes. It is noted that the interpretation of the labour theme has a prehistory in the Soviet-Chinese interpretation of the genre. The musical solution of urban imagery is based on the synthesis of elements of Western avant-gardism of the 1920s and elements of national colour, embodied primarily by orchestral means.
AN UNKNOWN SCHEME FOR THE CYCLE “OUR FATHER” IN THE SIYA COMPENDIUM
Authors: ZAPADALOVA POLINA V.
Published: January 2025

The Siya Compendium is а significant source of the 17th-century iconography. It represents both a collection of engravings and icon painting samples and a manuscript containing texts (inscriptions to icons, paint names etc). Some pages were ignored by N. V. Pokrovsky, who was the main researcher of the Siya Compendium. Among them is the drawing “For Thine is the Kingdom” (p. 485). Its iconographic attribution made it possible to associate the sample with the tradition of illustrating the prayer “Our Father” and to suggest that it was intended to help an unknown artist who worked on such an illustrative cycle.
STAGES OF THE DEVELOPMENT OF CHINESE PIANO MUSIC
Authors: LIU YUJIE
Published: January 2025

The piano, introduced to China from Europe during the Qin Dynasty, has long been an instrument for the upper classes, but in the 20th century, with the rise of economic prosperity and the development of spiritual culture, piano education has become accessible to a wide range of society. The younger generation of the PRC is increasingly beginning to learn the piano and to appreciate the art of piano playing. In the 20th century, national composers begin to create a significant number of piano works in accordance with artistic traditions and the aesthetic preferences of listeners. Modern piano music has certain stylistic features related to Chinese musical folklore. This article examines the stages of China’s piano art and education according to the national and aesthetic characteristics of folk music. The relevance and novelty of this article is that it is the first time to examine the work of modern composer Zhang Chao in the field of piano music, including his work “Numa Ame”.
ST. ISAAC’S CATHEDRAL IN THE DECISIONS OF THE SOVIET POWER IN 1927-1928 (PART 2)
Authors: ANANIEV VITALY G. , LYUBEZNIKOV OLEG A.
Published: January 2025

The cancellation by the Presidium of the All-Russian Central Executive Committee in the summer of 1927 of the decision, previously made at the city level, to transfer St. Isaac’s Cathedral as an outstanding architectural monument to the People’s Commissariat of Education, explained by the personal position of Piotr Smidovich, the member of the Presidium responsible for the state-confessional relations, and the political and intra-party context, did not affect the activity of representatives of the professional architectural community, who recorded the emergency condition of the building and saw a way to start expensive repair and restoration work in declaring the building a museum. The persistence of the architects-restorers, together with the need proclaimed by the party leadership to intensify the antireligious struggle at the turn of 1927-1928, contributed to the revision of the All- Russian Central Executive Committee’s position and the adoption of a two-pronged decision to liquidate the church community of the cathedral and simultaneously organise a museum.
THE SPECIFICS OF THE APPLIED ART OF PROCESSING FISH BONES IN THE JIAJINKOU-NANAI NATIONAL MUNICIPALITY
Authors: BI XINGE
Published: January 2025

The artistic processing of fish bones is one of the elements of the applied art of the Nanai people, a small nation of hunters and fishermen. The article presents the data obtained as a result of a field study conducted in Jiajinkou-Nanai National Municipality. The artistic process of applied art using fish bones is systematised and described in detail. The analysis of tools, materials, sizes, shapes, ornaments and other artistic elements used in the Nanai applied art of processing fish bones is carried out.
THE DEPARTMENT OF FINE ARTS AND THE FIRST STEPS OF ARTISTIC AND PEDAGOGICAL EDUCATION IN LENINGRAD IN 1961-1962
Authors: SAPANZHA OLGA S. , BABIYAK VYACHESLAV V.
Published: January 2025

The Faculty of Art and Graphics of the Leningrad State Pedagogical Institute named after A. I. Herzen traces its history back to 1959. During the first two years, the training of teachers of drawing, drafting and labour was based on disciplines of a predominantly technical nature. However, 1960-1961 saw significant changes that determined a different development of the faculty. The emergence of the Department of Fine Arts changed the vector towards the predominance of the artistic-creative and art history component. The article, based on archival materials, presents the history of the creation of the department, which determined the specifics of training teachers-artists.
THE ACTIVITIES OF THE SAINT PETERSBURG UNIVERSITY MUSEUM OF FINE ARTS AS A PREMISE FOR THE CREATION OF THE MUSEUM OF THE SAME NAME AT THE BESTUZHEV COURSES (BASED ON THE MATERIALS OF THE CENTRAL STATE HISTORICAL ARCHIVE OF SAINT PETERSBURG)
Authors: VAKHROMEEVA OKSANA B.
Published: January 2025

The Museum of Antiquities and Fine Arts was opened at Saint Petersburg University in 1841, and at the Bestuzhev Courses, called the “women’s” faculty of the university, more than half a century later. Both museums had an educational and auxiliary significance. Their collections were formed over decades according to a similar scheme. The beginning of teaching the course in art history at the university was associated with the name of V. V. Stasov (1858), at the courses - with A. I. Somov (1884), subsequently it was taught by world-famous scientists (A. V. Prakhov, N. P. Kondakov, D. V. Ainalov, B. V. Farmakovsky). The university tradition of forming the Museum’s collections was transferred to the Higher Women’s Courses, where female students, based on museum materials, conducted educational and scientific work. The article traces the educational and auxiliary continuity of the university and courses in the form of the Museum of Fine Arts based on the materials of the Central State Historical Archive of Saint Petersburg, which are being introduced into scientific circulation for the first time.
. NEUHAUS AND THE MODERN CONCERT STAGE (ON THE OCCASION OF THE 60TH ANNIVERSARY OF THE PIANIST’S DEATH)
Authors: SMIRNOVA MARINA V. , GU YONGCHENG
Published: January 2025

The article examines a chapter from the book “Portraits of Pianists” by D. A. Rabinovich, which is today considered a textbook, from a modern evaluative standpoint. The contradictory aspects of the assessments of Neuhaus’ artistic position are also not ignored. Analysing Rabinovich’s work, the authors of the article compare the statements of modern pianists and researchers about Neuhaus’ performing style and the place that this outstanding pianist and teacher occupied in the national piano culture.
EKATERINA A. ALEKSANDROVA: THE ROLE OF THE PERFORMER’S PERSONALITY IN FOLK TRADITIONAL CULTURE
Authors: DEMIDOVA IRINA A.
Published: January 2025

The article is devoted to the creative heritage of one of the outstanding Izhora singers - Ekaterina A. Aleksandrova - the keeper of folklore traditions of one of the indigenous peoples of Leningrad Oblast. The research involves recordings of the expedition of the 1970-1980s, whose quantitative composition shows the depth of the performer’s knowledge of Izhora and Russian folk song cultures. The study raises the problem of “folklore bilingualism” as one of the most relevant ones for ethnic groups living in the neighborhood.
Hierarchical MoS2@NiFeCo-Mo(doped)-Layered Double Hydroxide Heterostructures as Efficient Alkaline Water Splitting (Photo)Electro-catalysts
Authors: Moradi Kayvan , Ashrafi Maysam , Salimi Abdollah , Melander Marko
Published: January 2025

Designing cost-effective electrocatalysts with fast reaction kinetics and high stability is an outstanding challenge in green hydrogen generation through overall water splitting (OWS). Layered double hydroxide (LDH) heterostructure materials are promising candidates to catalyze both oxygen evolution reaction (OER) and hydrogen evolution reaction (HER), the two OWS half-cell reactions. This work develops a facile hydrothermal route to synthesize hierarchical heterostructure MoS2@NiFeCo-LDH and MoS2@NiFeCo-Mo(doped)-LDH electrocatalysts, which exhibit extremely good OER and HER performance as witnessed by their low IR-corrected overpotentials of 156 mV and 61 mV with at a current density of 10 mA cm-2 under light assistance. The MoS2@NiFeCo-Mo(doped)-LDH‖MoS2@NiFeCo-LDH OWS cell achieves a low cell voltage of 1.46V at 10 mA cm-2 during light-assisted water electrolysis. Both materials exhibited exceptional stability under industrially relevant HER and OER conditions, maintaining a current density of 1 A cm-2 with minimal alterations in their potential and performance. The experimental and computational results demonstrate that doping the LDH matrix with high-valence Mo atoms and MoS2 quantum dots improves the electrocatalytic activity by 1) enhancing electron transfer, 2) making the electrocatalyst metallic, 3) increasing the number of active sites, 4) lowering the thermodynamic overpotential, and 5) changing the OER mechanism. Overall, this work develops a facile synthesis method to design highly active and stable MoS2@NiFeCo-Mo(doped)-LDH heterostructure electrocatalysts.
Diverging Reaction Pathways and Key Intermediates in Ethylene Forming Enzyme
Authors: Wang Chao , Sayfutyarova Elvira
Published: January 2025

Ethylene-forming enzyme (EFE) is a non-heme iron (II)- and 2-oxoglutarate-(Fe(II)/2OG)-dependent oxygenase that exhibits distinct catalytic activity. While most Fe(II)/2OG-dependent oxygenases catalyze the substrate hydroxylation accompanied by the decarboxylation of the 2OG cosubstrate to succinate, EFE primarily converts the 2OG into CO2 and ethylene. Experimental studies suggest that the reaction mechanism of EFE does not involve the Fe(IV)=O (ferryl) intermediate central in the consensus mechanism for hydroxylation in Fe(II)/2OG-dependent oxygenases, and the ethylene-forming reaction pathway diverges early in the catalytic cycle after binding molecular oxygen. In this paper, we employ a multifaceted approach, including molecular dynamics, quantum mechanics and molecular mechanics methods, theoretical Mössbauer spectroscopy, and the analysis of the intrinsic electric field exerted by the protein environment, to examine possible reaction pathways for ethylene formation and hydroxylation in EFE. Our study reveals a new reaction pathway with a low energy barrier via the formation of Fe(II)-pyrocarbonates, which is different from all previously proposed reaction mechanisms. Based on our results, we introduce a revised reaction mechanism for the ethylene formation in the EFE that is consistent with the available experimental data. This work also provides new insights into both the first and second branchpoints of the ethylene-forming pathway that can be useful in EFE modifications aimed at shifting the product yield in the EF reaction.
Light-Induced Conjugation of Inorganic Phosphate and Sulfate with Aminocyclobutenediones under Aqueous Conditions
Authors: Ogawa Koki , Kobayashi Rena , Okada Nanami , Mishiro Kenji
Published: January 2025

Phosphate and sulfate groups play an important role in controlling the physical properties of biomolecules and artificial materials. However, despite their significance, the incorporation of phosphate or sulfate groups into aqueous organic compounds using non-enzymatic methods has been unprecedented. In this study, we have successfully conjugated inorganic phosphate and sulfate with aminocyclobutenedione derivatives via photochemical reactions under aqueous conditions. A plausible mechanism for the conjugation reactions was proposed on the basis of DFT calculations. These reactions will promote life science research based on organophosphates and organosulfates which have been difficult to access up to now.
Post-Polymerisation Modification of Polyethylene through Photochemical Oximation
Authors: Otten Maartje , Klein Gebbink Inèz , Schara Patrick , Tomović Željko , Lutz Martin , Bruijnincx Pieter , Thevenon Arnaud
Published: January 2025

Post-polymerisation modification (PPM) can provide access to functional polymers not readily available through bottom-up synthesis. Incorporating polar functional groups via PPM on the carbon-carbon backbone of polyolefins is a powerful strategy to tailor the polymer structure and enlarge the material property window. Here, we demonstrate the clean and efficient modification of polyethylene (PE) through the solvent- and catalyst-free photochemical oximation, using t-butyl nitrite (t-BuONO) as inexpensive and easy to handle NO radical source. The photochemical oximation uses LED long wave ultraviolet light and is run neat under aerobic conditions. The photochemical reaction conditions were optimised using linear small- to large-chain alkanes as model substrates. Using four different types of polyethylene (self synthesised low-molecular weight, commercially available low molecular weight and high molecular weight as well as post consumer material), we successfully incorporated oxime, ketone and nitro functional groups on the polymer backbone, without radical cleavage or crosslinking. The functionalisation degree of the three different functional groups is tuneable depending on the reaction atmosphere and system pressure, and the total functionalisation degree on the backbone can reach up to 2.9%. Detailed analysis, including 2D NMR spectroscopy with 15N-isotopically labelled modified PE produced with t-BuO15NO, provided insight into functional group distribution and regiochemistry, revealing that the photochemical oximation preferentially functionalises the pre-terminal carbon position and that the functional groups are randomly spaced apart on the polymer backbone rather than positioned adjacent to each other. Additionally, reactivity studies together with electron paramagnetic resonance (EPR) spectroscopy showed that the oxime is converted to the ketone via an iminoxyl radical species, confirming that it solely arises from the further reactivity of the oxime functional group via an iminoxyl radical pathway. These results demonstrate tuneable functionalisation, enabling the production of modified polyolefins with tailored properties that potentially broaden their application range and provide opportunities for improved recyclability.
Proteome-wide Covalent Targeting of Acidic Residues with Tunable N-Aryl Aziridines
Authors: Qiu Nan , Tan Hao , Pechalrieu Dany , Abegg Daniel , Fnu Deepanshu , Mukherjee Poulami , Renteria Gomez Angel , Gutierrez Osvaldo , Powers David C. , Adibekian Alexander
Published: January 2025

Carboxylate side chains in aspartic and glutamic acids play critical roles in protein structure and function due to their polarity and negative charge. These acidic residues, which are abundant in high-value drug targets, represent attractive yet underexplored hotspots for covalent inhibitor discovery. In this study, we introduce N-aryl aziridines as a systematically tunable, chemoselective scaffold for covalent targeting of carboxylates across the proteome. Using a library of N-pyridinium aziridine-based fragments combined with chemoproteomics-enabled target deconvolution, we identified lead hits for aspartates and glutamates in proteins such as mitochondrial carrier homolog 2 (MTCH2), RUN and FYVE domain-containing protein 1 (RUFY1), and delta(24)-sterol reductase (DHCR24). Modular build-and-couple synthetic logic enabled fragment evolution via Ni-catalyzed cross-coupling to access N-aryl aziridines with enhanced affinities for MTCH2 and RUFY1. Notably, N-aryl aziridine 5b selectively modified RUFY1 at E502, disrupting its interactions within the endosomal trafficking network and impairing receptor recycling. This work establishes N-aryl aziridines as versatile carboxylate-targeting covalent inhibitor scaffolds, broadening the scope of covalent ligand discovery.
Proton transfer in [HEIM][TFSI] ionic liquid: insights from polarisable and neural network simulations
Authors: Otero-Lema Martin , Goloviznina Kateryna , Varela Luis Miguel , Salanne Mathieu , Montes-Campos Hadrian , SERVA ALESSANDRA
Published: January 2025

Protic ionic liquids, PILs, are promising materials for energy storage applications, in part due to their ability to decouple proton transport from ion diffusion. In this work, the proton transfer mechanism in 1-ethylimidazolium bis(trifluoromethanesulfonyl)imide ([HEIM][TFSI]) IL was studied by means of three different computational approaches. Classical polarizable molecular dynamics simulations were used to explore the structure and dynamics of the fully ionized system, while Density Functional Theory calculations were carried out to estimate the energy barriers for the different proton transfer reactions. Finally, the proton transfer was explicitly studied by means of Neural Network Force Field simulations. Our results show that this reaction is indeed possible when doping the IL with an excess of deprotonated cations, and highlight the importance of the formation of dimers between donor and acceptor species for the proton transfer to occur. The main driving factor for the reaction was found to be the energy cost for reaching a suitable coordination environment and form such dimers, which is higher than that for the transfer reaction.
Non-covalent Interactions Promoted Kinetics in Perylene Diimide-based Aqueous Zn-ion Batteries: an operando ATR-IR Study
Authors: Melath Sneha , You Xiang , Sang Lingzi
Published: January 2025

Metallic Zn electrodes for aqueous Zn-ion batteries suffer from dendrite and layered double hydroxide formation, which limit the battery cycle life. This morphologically unstable interface results from inhomogeneous Zn deposition at the Zn electrode. Perylene-based organic anodes, as an alternative, store Zn2+ through a Zn-enolate coordination mechanism following the reduction of carbonyl groups, potentially bypassing challenges associated with Zn anode. However, organic anodes exhibit low electrical conductivity and therefore show low rate performance. Molecular aggregation of conjugated aromatics plays a key role in the electrical conductivity of this class of material, and it is important to understand their impact on the battery rate performance. Herein, we combined electrochemistry and in-situ ATR-IR characterizations to demonstrate the dominating role of aggregates in perylene-based electrodes in the enhancement of the electrode kinetics. We demonstrated the principle of using non-covalent interaction to form a supermolecular network that exhibits more than four orders of magnitude increase in the electron transfer rate content responsible for Zn2+ storage and provides nearly doubled charge storage capacities. The reorganization of perylene units was driven by π-π stacking and hydrogen bonding between the active material and a mediator, ethylene diamine (EDA), introduced as an additive during electrode processing. We showed that in practice this process can occur during the solution process at moderate temperature.
Enhancing Chemical Synthesis Planning: Automated Quantum Mechanics-Based Regioselectivity Prediction for C-H Activation with Directing Groups
Authors: Seumer Julius , Ree Nicolai , Jensen Jan H.
Published: January 2025

The mild and selective functionalization of carbon-hydrogen (C-H) bonds remains a pivotal challenge in organic synthesis, crucial for developing complex molecular architectures in pharmaceuticals, polymers, and agrochemicals. Despite advancements in directing group (DG) methodologies and computational approaches, predicting accurate regioselectivity in C-H activation poses significant difficulties due to the diversity and complexity of organic compounds. This study introduces a novel quantum mechanics-based computational workflow tailored for the regioselective prediction of C-H activation in the presence of directing groups. Utilizing (semi-empirical) quantum calculations hierarchically, the workflow efficiently predicts outcomes by considering concerted metallation deprotonation mechanisms mediated by common catalysts like Pd(OAc)2. Our methodology not only identifies potential activation sites but also addresses the limitations of existing models by including a broader range of directing groups and reaction conditions while maintaining moderate computational cost. Validation against a comprehensive dataset reveals that the workflow achieves high accuracy, significantly surpassing traditional models in both speed and predictive capability. This development promises substantial advancements in the design of new synthetic routes, offering rapid and reliable regioselectivity predictions that are essential for accelerating innovation in material science and medicinal chemistry.
Shadow Molecular Dynamics with a Machine Learned Flexible Charge Potential
Authors: Li Cheng-Han , Kaymak Mehmet Cagri , Kulichenko Maksim , Lubbers Nicholas , Nebgen Benjamin , Tretiak Sergei , Finkelstein Joshua , Tabor Daniel , Niklasson Anders
Published: January 2025

We present an extended Lagrangian shadow molecular dynamics scheme with an interatomic Born-Oppenheimer potential determined by the relaxed atomic charges of a second-order charge equilibration model. To parameterize the charge equilibration model, we use machine learning with neural networks to determine the environment-dependent electronegativities and chemical hardness parameters for each atom, in addition to the charge-independent energy and force terms. The approximate shadow molecular dynamics potential in combination with the extended Lagrangian formulation improves the numerical stability and reduces the number of Coulomb potential calculations required to evaluate accurate conservative forces. We demonstrate efficient and accurate simulations with excellent long-term stability of the molecular dynamics trajectories. The significance of the choosing fixed or environment-dependent electronegativities and chemical hardness parameters is evaluated. Finally, we compute the infrared spectrum of molecules via the dipole auto-correlation function and compare to experiments to highlight the accuracy of the shadow molecular dynamics scheme with a machine learned flexible charge potential.
Determinants of Household Choice of Pre-Tertiary Education in Ghana
Authors: Abraham A. Y. , Acquah B. Y. S. , Anti Partey P.
Published: January 2025

Purpose: This research examined the factors influencing household decisions between public and private pre-tertiary education in Ghana, focusing on the relationship between socioeconomic household variables and school characteristics.
Design/Methodology/Approach: This study employed data from the Ghana Living Standard Survey Round 7 (GLSS7), which comprised a sample of 15,000 households drawn from 1,000 enumeration areas. It employed an explanatory research design and used a binary logistic regression technique for analysis.
Findings: The research found that though higher spending on pre-tertiary education decreases the likelihood of choosing private schools, higher school fees, transportation costs, and proximity to schools increase the likelihood of opting for private schools. It also revealed significant disparities between urban and rural households, with rural families less inclined to choose private schools due to lower income levels and limited access to private schools. Financial inclusion, reflected by households' bank accounts, was a key factor enabling private school choices.
Research Limitation: Although credible, the use of secondary data from the Ghana Statistical Service (GLSS 7) suffers from the usual problem of not asking all the questions that the research would have asked.
Social Implication: This research has the potential to inform the policies of the Ministry of Education and the Ghana Education Service to implement strategies that enhance the accessibility and affordability of quality education nationwide.
Practical Implication: This includes expanding transportation infrastructure in rural areas to reduce distance barriers and improve access to public and private schools. Additionally, efforts to expand financial inclusion should be intensified to empower parents to make school choices for their children.
Originality/ Value: This research focused on socio-economic and school-related factors affecting school choice in Ghana, analysing how financial inclusion and regional disparities influence household educational decisions.
On a Suggested Logic for Paraconsistent Mathematics
Authors: Slaney John
Published: January 2025

The logic subDL and its quantified extension subDLQ were proposed by Badia and Weber (Dialethism and its Applications, 2019: 155-176) as a basis for developing a version of mathematics in which paradoxes are harmless. In the present paper, subDL as defined in the literature is shown to be too strong to support the theories which motivate it. The crucial point is that contraction is derivable in subDL. It follows that the semantic structure used by Badia and Weber to invalidate contraction is not, in fact, a model of subDL. Here we identify the axioms responsible for contraction in subDL and prove that the logic, weakened by removal of these axioms, is contraction-free and paraconsistent.