bluuebunny/crossref_metadata_2025 huggingface dataset:
Poorly differentiated sinonasal neuroendocrine carcinoma with skull base invasion: A case report
Authors: Ramos-Escalante Jonathan , Alvarez-Castro José Alfonso , Sangrador-Deitos Marcos V. , Guinto-Nishimura Gerardo Yoshiaki , Marian-Magaña Ricardo , Lara-Olivas Jorge A. , Rembao-Bojórquez Jesús Daniel , Gomez-Amador Juan Luis
Published: September 2023

Background:

Sinonasal neuroendocrine carcinoma is a rare head and neck tumor that represents only 5% of sinonasal neoplasms. This lesion has a high risk of invasion to adjacent structures such as the orbit, skull base, and soft tissues, with symptoms usually being nonspecific. Most cases are diagnosed in late stages, decreasing overall survival without treatment. To date, there is no consensus on management given its low prevalence; however, it has been shown that multimodal therapy, with the correct surgical approach as the mainstay, offers a better disease-free prognosis.

Case Description:

A 46-year-old woman presented with a 1 year history of nasal symptoms, characterized by obstruction and epistaxis. Imaging studies showed an extra-axial mass causing skull base erosion and displacement of the right fronto-orbital region, without invasion of brain parenchyma or meninges. A biopsy was performed and an unresectable poorly differentiated sinonasal neuroendocrine carcinoma was diagnosed. Treatment with radio and chemotherapy was initiated and, as the tumoral volume decreased, she was referred for neurosurgical intervention; an endonasal endoscopic approach was performed. Gross total resection was achieved and the patient was discharged without postoperative complications and no residual lesion on imaging.

Conclusion:

We describe the evolution of a rare advanced-stage neoplasm. It highlights that despite receiving an initial diagnosis of an unresectable mass, multimodal therapy, and an adequate surgical approach deemed the entire lesion to be resected. Despite the favorable clinical evolution, the follow-up of neuroendocrine carcinoma is prioritized as a neoplasm with a high rate of recurrence and metastasis.
Computation and experimental modelling of stress-strain states of high-loaded parts of power units
Authors: Махутов Н.А. , Гаденин М.М.
Published: September 2023

На примере расчетно-экспериментального моделирования напряженно-деформированного состояния (НДС) методами экспериментальной механики и конечных элементов и полученных результатов для высоконагруженных элементов жидкостного ракетного двигателя, изготавливаемых из современных легированных сталей и жаропрочных сплавов, показано, что параметры реального напряженно-деформированного состояния определяются тремя основными факторами: условиями механического, теплового, аэродинамического, вибрационного эксплуатационного нагружения; конструктивными формами, размерами сечений и наличием концентрации напряжений в наиболее опасных точках и зонах несущих деталей; механическими свойствами используемых конструкционных материалов. Расчетные выражения для определения НДС рассмотренными методами являются исходными для описания процессов накопления повреждений и их количественной оценки при статических, циклических и вибрационных воздействиях. Показано, что реакцией несущих высоконагруженных элементов энергоагрегатов на суммарные эксплуатационные нагрузки, воздействия физических полей и коррозионных сред является возникновение не только полей напряжений и деформаций, но и полей повреждений в зонах высокой концентрации напряжений

Methods of experimental mechanics along with finite-element method and the obtained results for the high-loaded parts of a liquid-fuel rocket engine, made of the modern alloyed steels and heat resisting alloys shows that parameters of a real stress-strain state are defined by three major factors: conditions of a mechanical, thermal, aerodynamic, vibration service loading; constructive forms, sizes of sections and existence of concentration of stresses in the most dangerous points and zones of the bearing details; mechanical properties of the utilized constructional materials. At the same time the computation equations for determination of stress-strain states by the considered methods are primary for the description of processes of accumulation of damages and their quantitative estimation at static, cyclic and vibration impacts. It is shown that reaction of the bearing high-loaded parts of power units to total service loadings, impacts of physical fields and corrosion environments is both initiation for fields of stresses and strains and fields of damages to zones of high concentration of stresses
Directions and results of research in the framework of the publishing project “Strength. Destruction mechanics. Resource. Safety of technical systems”
Authors: Москвичев В.В. , Чернякова Н.А. , Анискович Е.В. , Буров А.Е. , Доронин С.В. , Лепихин А.М. , Москвичев Е.В. , Рейзмунт Е.М. , Федорова Е.Н. , Филиппова Ю.Ф. , Черняев А.П.
Published: September 2023

Представлены направления основных исследований, выполненных коллективом авторов в период с 1985 г. по настоящее время, результаты которых получили отражение в издательском проекте научных, научно-технических и прикладных разработок “Конструкционная прочность. Ресурс. Механика разрушения. Безопасность технических систем”. В рамках проекта опубликовано десять коллективных монографий. В обзорной форме отражены результаты исследований предельных состояний, характеристик трещиностойкости конструкционных материалов, композитных конструкций космических аппаратов, разработки в области создания машин и конструкций для условий Сибири и Арктики, приведены примеры результатов диагностики технического состояния и анализа причин аварий сложных технических систем. Отмечена приоритетная роль математического моделирования в решении обозначенных задач, особенно при анализе напряженно-деформированных состояний

The article presents the directions of the main research carried out by a team of authors in the period since 1985. The results of the research were reflected in the framework of the publishing project of scientific, scientific, technical and applied developments “Structural strength. Resource. Destruction mechanics. Safety of technical systems”. Ten collective monographs have been published within the framework of the project. The review form reflects the results for studies of limit states, crack resistance characteristics of structural materials, composite structures of spacecraft, developments in the field of creating machines and structures for the conditions of Siberia and the Arctic. Examples of the results of diagnostics of the technical condition and analysis of the causes of accidents of complex technical systems are given. The priority role of mathematical modelling in solving the indicated problems, especially in terms of the analysis of stress-strain states, is anticipated
Numerical algorithm for calculating the interaction of surface waves with semi-immersed structures in the framework of the 2D shallow water model
Authors: Гусев О.И. , Хакимзянов Г.С.
Published: September 2023

Детально описан алгоритм расчета взаимодействия поверхностных волн с неподвижными полупогруженными в воду сооружениями в рамках плановой бездисперсионной модели мелкой воды. Для численного решения задачи область течения разбивается на внешнюю часть, где решается система уравнений мелкой воды для течения со свободной границей, и внутреннюю область, в которой решается система уравнений несжимаемой жидкости для течения в пространстве между днищем полупогруженного тела и дном акватории. Предложен способ склеивания этих решений. Приведены результаты численного моделирования наката бора и уединенной волны на полупогруженное тело прямоугольного сечения

Purpose. When designing large partially immersed fixed structures located in tsunami-hazardous coastal waters, it is necessary to consider the possible impact of long surface waves such as tsunamis on them. Multivariate calculations make the application of algorithms for three-dimensional models (Navier–Stokes or Euler) computationally expensive. The most important characteristics of the interaction of waves with a semi-immersed body can often be obtained using shallow water (SW) models, which is confirmed by recent studies in the framework of one-dimensional (1D) SW models. However, numerical algorithms and calculation results in a two-dimensional (2D) formulation have not yet been published, even in the case of the dispersionless SW model. The development of such an algorithm has become the purpose of this study. Methodology. The algorithm for calculating the interaction of surface waves with fixed semisimmersed structures in the framework of the 2D dispersionless shallow water model is described in detail. For the numerical solution of the problem, the flow area is divided into two parts. The system of the shallow water equations for a flow with a free boundary is solved in the outer domain using the predictor-corrector scheme. In the inner region, the system of incompressible fluid equations for flow in the space between the bottom of a semi-immersed body and the bottom of the basin is solved using a modified McCormack scheme. A method of gluing these solutions at the boundary of the body is proposed. Results and conclusions. The first results of testing the developed algorithm are presented. The accuracy of the algorithm is estimated on the 2D problems of the impact of a bore and a solitary wave on a semi-immersed body in the form of a rectangular prism. The convergence of numerical solutions is confirmed when the grid is refined. We reveal the qualitative difference between the characteristics of wave-structure interaction obtained within the framework of the 2D and 1D models
La durée des évènements traumatiques et la polyvictimisation durant l’enfance sont-ils associés au développement de facteurs de risques chez les agresseurs sexuels ?
Authors: Chopin Julien , Beauregard Eric , Molnar Lorena
Published: September 2023

Cette étude examine l’impact des évènements traumatiques subis durant l’enfance et l’adolescence (ETEA) sur les facteurs de risque liés à la délinquance sexuelle à l’âge adulte. Elle se base sur un échantillon canadien de 256 individus judiciarisés pour des crimes sexuels au Canada. Les résultats suggèrent que la présence, la durée et la diversité des ETEA sont associées à différents degrés à des comportements problématiques pendant l’adolescence, aux troubles de la personnalité et à des cognitions favorables aux crimes. Une association notable a été identifiée entre la durée des ETEA et l’abus de substances. Une grande diversité d’ETEA est liée à un risque accru d’engagement dans des carrières criminelles violentes et sexuelles. Ces résultats soulignent la nécessité d’adopter une approche multidimensionnelle dans l’étude des conséquences des ETEA et ouvrent des perspectives concernant la prise en charge d’enfants et adolescents victimes d’évènements traumatiques ainsi que des individus judiciarisés.
A promising marriage between polymorphism and topochemistry: Synthesis of a polymer in two different secondary structures
Authors: Pathan Javed , Balan Haripriya , Sureshan Kana
Published: September 2023

We designed and synthesized a squaramide-based monomer decorated with azide and alkyne for topochemical azide-alkyne cycloaddition (TAAC) polymerization. The monomer crystallizes as two polymorphs, M1 and M2, both having crystal packing suitable for their topochemical polymerization. The squaramide bias the hydrogen-bonded molecular organization in both the polymorphs; H-bonded stacks of monomer are packed in the 3D forming head-to-tail organization of monomers with azide and alkyne units of adjacent monomer molecules juxtaposed in a transition-state-like arrangement for their regiospecific cycloaddition reaction. Along the polymerization direction, the monomers are arranged as sheets in polymorph M1 and helices in polymorph M2. Both the polymorphs undergo slow and spontaneous regiospecific TAAC polymerization at room temperature but react quickly at higher temperatures resulting in polymer linked by triazole through its 1,4-positions, with distinct mechanical responses; single crystals of polymorph M1 show expansion followed by contraction without any permanent dimensional change, whereas crystals of polymorph M2 undergo splitting upon heating. At moderate temperatures, both the polymorphs undergo single-crystal-to-single-crystal (SCSC) polymerization, resulting in two polymer-polymorphs with distinct secondary structures that can be studied at atomic resolution by single-crystal X-ray crystallography. The polymorph M1 reacts to polymer P1 with β-sheet-like topology, and polymorph M2 reacts to polymer P2 having polymer chains of helical conformation stacked in a sheet-like fashion, both having the same chemical structure.
Generation of Thermodynamically Favorable Crystal Structures of Pb_{10-x}Cu_x(PO4)6O using Atom Combinatorics Approach
Authors: Sumaria Vaidish , Rawal Takat B. , Sommer David , Vikoren Jake , Li Young Feng , Prasad Deeptanshu (Deep)
Published: September 2023

Superconductivity, a fascinating quantum state of matter, at room temperature and ambient pressure can find many promising next-generation technological applications such as quantum sensing and quantum computing devices. The ability to enhance the superconducting transition temperature (Tc) by several state-of-the-art design techniques, including the structural modification in materials, has been a long sought-after goal in solid-state physics and materials science. Very recently, the experimental realization of potential room-temperature ambient-pressure superconductivity was reported for Cu-substituted lead apatite, Pb_{10-x}Cu_x(PO4)6O (x~0.9-1.0), so-called LK-99 material. Nonetheless, important questions remain unresolved, particularly, understanding how the arrangements of substituted Cu on Pb sites in the LK-99 structure would minimize system's energy and might affect its electronic structure. We address these relevant questions by enumerating possible configurations of Cu in Pb_{10-x}Cu_x(PO4)6O at 10% Cu substitution and performing density functional theory with Hubbard U correction (DFT+U) calculations of structural and electronic properties of selected configurations. We find that for (1x1x2) supercell, the most energetically favorable substitution sites are the nearest Pb(1) and Pb(2). The partially filled electronic state calculated at the Brillouin zone center is spatially localized around the Cu atom. For the low-energy configuration of single Cu substitution, we find that one electronic band is very flat with a narrow bandwidth of 0.06 eV. The bands degeneracy at Γ and A high-symmetry points that is observed for a higher-energy configuration with one Cu substitution, disappears when two Cu atoms form a local dimer in a distorted LK-99 structure.
Minimal coarse-grained models of polar solvent for electrolytes: Stockmayer versus dumbbell
Authors: Liu Xinqiang , Kong Xian
Published: September 2023

This study explores the potential of the dumbbell solvent as a minimal model for understanding electrolyte behavior in polar solvents, in contrast to the widely-used Stockmayer model. The distinguishing feature of the dumbbell model lies in its straightforward capture of the coupling between molecular orientation and dipole rotation. Our investigation involves a comparative analysis of the dumbbell and Stockmayer solvent models, focusing on ion solvation and ion-ion correlations. We examine electrolytes containing symmetric monovalent salts dissolved in polar solvents while varying ion density and solvent polarity. Both models predict an augmented solvent coordination number around ions as solvent polarity increases, with the dumbbell solvent displaying a more pronounced effect. Notably, radial distribution functions (RDFs) between solvent and ions yield differing trends; Stockmayer models exhibit a non-monotonic relationship due to strong dipole-dipole interactions at higher polarity, while RDFs for ions and dumbbell solvents consistently rise. In response to increased solvent polarity, Stockmayer solvents within the ion's solvation shell undergo continuous dipole orientation shifts, whereas the dumbbell solvent predominantly adopts pointing-away dipole orientations, diminishing pointing-to orientations. This underscores the significance of the interplay between solvent molecular orientation and dipole rotation. Under non-polar conditions, the Stockmayer solvent model inadequately replicates ion-ion correlations of electrolytes based on hard-sphere solvent, attributed to potential numerical issues in electrostatic energy calculations. Conversely, the dumbbell solvent model effectively reproduces these correlations, underscoring its utility. Moreover, it reasonably predicts ion pairing and clustering behaviors across varying solvent dipole strengths and salt concentrations. This study underscores the effectiveness of the dumbbell solvent model in systematically elucidating the fundamental principles governing electrolytes, offering potential applications in the rational design of electrolyte systems in the future.
Comparison of nanozymatic behavior of protein-protected gold and SiO2@gold nanoparticles
Authors: Hormozi Jangi Saeed Reza
Published: September 2023

Herein, the nanozymatic behavior of protein-protected gold and SiO2@gold nanoparticles were evaluated and their results compared with each other. The results showed that both protein-protected gold and SiO2@gold nanoparticles reveal intrinsic peroxidase-like activity. Hence, to precise comparison of nanozymatic behavior of these nanozymes, the kinetic studies were performed using the Michaelis–Menten steady-state kinetics model and the velocity and affinity factors were calculated for both nanozyme and then utilized as a reliable way for comparison of nanozymatic behavior of these nanozymes. The results showed that the Vmax of protein-protected gold nanoparticles was 12.0-fold higher than that of SiO2@gold nanoparticles, revealing that the catalytic efficiency of protein-protected gold nanoparticles is 12.0-fold higher than SiO2@AuNPs nanocomposite. Besides, the Km value of SiO2@gold nanoparticles was 2-order higher than that of protein-protected gold nanoparticles, indicating that the substrate affinity toward protein-protected gold nanoparticles is 2.0-order higher than the SiO2@gold nanoparticles. Based on the results of this work it can be concluded that protein-protected gold nanoparticles are more efficient nanozymes than SiO2@gold nanoparticles.
Comment on ``Applicability of perturbed matrix method for charge transfer studies at bio/metallic interfaces: a case of azurin'' by O. Kontkanen, D. Biriukov and Z. Futera, Phys. Chem. Chem. Phys., 2023, 25, DOI: 10.1039/D3CP00197K
Authors: Sarhangi Setare , Matyushov Dmitry
Published: September 2023

Polarizability is a fundamental property of all molecular systems describing the deformation of the molecular electronic density in response to an applied electric field. The question of whether polarizability of the active site needs to be included in theories of enzymatic activity remains open. Hybrid quantum mechanical/molecular mechanical calculations are hampered by difficulties faced by many quantum-chemistry algorithms to provide sufficiently accurate estimates of the anisotropic second-rank tensor of molecular polarizability. In this Comment, we provide general theoretical arguments for the values of polarizability of the quantum region or a molecule which have to be reproduced by electronic structure calculations.
Dynamics of Ce-O bond energy upon formation of O vacancies
Authors: Guan Xuze , Yao Zhangyi , Liu Hao-xin , Liu Yonghui , Han Rong , Chen Lu , Wong Deniz , Schulz Christian , Asakura Hiroyuki , Zhang Jie , Hayama Shusaku , Spronsen Matthijs A. van , Ren Yifei , Zhang Lun , Su Xinlian , Tanaka Tsunehiro , Guo Yuzheng , Jia Chun-jiang , Wang Feng Ryan
Published: September 2023

CeO2 offers excellent oxygen storage capacity for catalysis and energy applications. It accommodates a surprising number of oxygen vacancies (VO), yet the driving force and origin of these VO are rarely discussed. Through a combination of in situ techniques and resonant inelastic X-ray scattering (RIXS), here, we discovered that upon formation of the VO, the remaining Ce4+-O2- bond energy increases by at least 0.2 eV. Such an increase in the bond energy provides an additional enthalpy change (ΔH) in the reaction of VO formation, stabilizes the reduced CeO2 phase and explains why CeO2 can host an extensive array of VO. This work demonstrates that RIXS is effective in probing metal-oxygen bond energy, possibly under working conditions, which is an ideal method to quantify electronic structures with material performance.
Palladium-Catalyzed Regiodivergent Three Component Alkenylamination of Terminal Dienes with Alkyl and Aryl Amines
Authors: Ma Xiaoxiao , Malcolmson Steven
Published: September 2023

We report a palladium-catalyzed method for 4,3- or 4,1-selective alkenylamination of terminal dienes. Three component couplings proceed with alkenyl triflates and several amines, giving vicinal carboamination with a Xantphos-supported catalyst and distal difunctionalization with a phosphoramidite ligand. Experimental evidence indicates selectivity in the former reactions is largely influenced by the substrate whereas the latter is catalyst controlled, orchestrated by a key pi-stacking interaction among the ligand, solvent, and substrate.
Minimalistic Cationic Scaffolds Exhibiting Excited State Intramolecular Proton Transfer (ESIPT), White Light Emission and Photo-click reactions
Authors: Pathak Dibyajyoti , Aggarwal Naresh , Gupta Riya , Adarsh K. V. , Srivastava Aasheesh
Published: September 2023

The excited state intramolecular proton transfer (ESIPT) process significantly influences the photophysics of (bio)molecules. ESIPT is facilitated by the spatial proximity of the proton donating and accepting residues as well as by the acidity of the proton being transferred. While neutral and zwitterionic molecules undergoing ESIPT are well reported in the literature, cationic scaffolds capable of ESIPT are conspicuously absent. Here, we present two cationic organic scaffolds viz. DADAB.TFA and DATzTz.TFA that exhibit rapid Anilinium-to-Azonium (Ano-Azo) ESIPT resulting in unique photophysical and photochemical outcomes. Strong 5-membered and 6-membered intramolecular hydrogen bonding (IHB) in DADAB.TFA and DATzTz.TFA, respectively, ensured the structural rigidity and planarity necessary for ESIPT. It also rendered DADAB.TFA emissive, with a moderate Stokes shift of 6597 cm-1 in H2O along with Anti-Kasha behaviour of excitation-dependent (Ex-De) emission. On the other hand, the DATzTz.TFA showed a large Stokes shift of 10209 cm-1 (in acetone). The emission of DADABH2+2 from its tautomeric azonium state gained prominence with the acidity of the protonating species. This was employed to achieve single-component white light emission (WLE) using DATzTz.TFA. Transient absorption spectroscopy (TAS) provided the lifetime of excited state absorption (ESA) as 0.85 ps for DADAB.TFA, whereas the lifetime of 1.2 ps was observed for stimulated emission (SE). Upon photoexcitation, DADAB.TFA also underwent photo-click reaction with aldehydes to yield more emissive benzimidazole frameworks. This work presents the design of new minimalistic cationic scaffolds undergoing ESIPT and expands the repertoire of photophysically-active and photochemically-reactive charged organic scaffolds.
Selective Arylation of Selenocysteine of Thioredoxin Reductase 1 by an Organogold Compound: Expanding the Tool-Box of Metal-Templated Reactions in Cancer Cells
Authors: Skos Lukas , Schmidt Claudia , Thomas Sophie , Park Mihyun , Bonsignore Riccardo , Del Favero Giorgia , Mohr Thomas , Bileck Andrea , Gerner Christopher , Casini Angela , Meier-Menches Samuel M.
Published: September 2023

Cyclometalated gold(III) complexes have been reported to template C-S cross-coupling reactions in a biological environment and acting as modifiers of cysteine residues. To broaden the scope of organogold complexes for covalent protein post-translational modification in cancer cells, an oxime-containing C^N-cyclometalated gold(III) compound was synthesised featuring a carboxylic acid group for either immobilisation on amine-bearing solid support (Au), or functionalisation with a fluorescent tag (Au-Fluo). Live-cell imaging revealed that Au-Fluo distributed evenly into SW480 colon carcinoma cells, with a slight preference for the nuclear and nucleolar compartments. Thioredoxin reductase 1 (TXNRD1) was observed as the major interactor of Au from SW480 cell lysates in chemoproteomic approaches and a 2 : 1 binding stoichiometry resulted from titration-dependent pull-downs. Direct interactions confirmed a high reactivity of Au towards the catalytic CysSec-dyad at the C-terminus of TXNRD1 and revealed double arylation events at this motif. Therefore, the observed Au-templated arylation of selenocysteine likely contributes to the compound’s biological effects. Proteome profiling of SW480 cancer cells treated with sub-cytotoxic concentrations of Au revealed an apparent reduction of the available selenium pool by down-regulating the detected selenoproteins, except TXNRD1. Additionally, Au treatment induced the NRF2-KEAP1 stress response, pointing towards a disturbance of the intracellular redox balance by Au-mediated covalent targeting of TXNRD1. Inhibition of heme oxygenase-1 (HMOX1), the most strongly induced NRF2-target, showed pronounced synergism with Au treatment. Overall, organogold compounds, templating the formation of C–S(Se) bonds in cells as a novel mode of action, hold promise for the targeted modification of (onco)proteins.
Insight into the Reaction Mechanism and Deactivation during CO2-Assisted Propane ODH over VOx/TiO2 Catalysts: An Operando Spectroscopic Study
Authors: Schumacher Leon , Hofmann Kathrin , Hess Christian
Published: September 2023

The CO2-assisted oxidative dehydrogenation (ODH) of propane is of great interest for technical applications, enabling the use of the greenhouse gas CO2 in a value-adding process. Supported vanadium oxide (VOx) catalysts are a promising alternative to more active but toxic chromium oxide catalysts. Despite its common use, TiO2 has not been investigated as support material for VOx in the CO2-assisted ODH of propane. In this study, we address the interaction between titania (P25) and vanadia within the reaction mechanism using XRD, multi-wavelength Raman, UV-Vis and DRIFT spectroscopy. Besides direct and indirect ODH reaction pathways, propane dry-reforming (PDR) is identified as a side reaction, which is more prominent on bare titania. The presence of VOx enhances the stability and selectivity by participating in the redox cycle, activating CO2 and leading to a higher rate of regeneration. As main deactivation mechanisms of the catalyst system we propose the reduction of the titania lattice and the consumption of vanadium, while carbon formation appears to be less relevant. Our results highlight the importance of analysing the CO2-ODH reaction network and applying combined steady-state spectroscopies as a first step towards a detailed mechanistic understanding of CO2-assisted propane ODH over supported VOx catalysts.
An Artificial Peroxidase based on the Biotin-Streptavidin Technology that Rivals the Efficiency of Natural Peroxidases
Authors: Mukherjee Manjistha , Waser Valerie , Igareta Nico V. , Follmer Alec H. , jakob Roman P. , Maier Timm , Üzümcü Dilbirin , Ward Thomas R.
Published: September 2023

Horseradish peroxidase (HRP) is an archetypal heme-containing metalloenzyme that uses peroxide to oxidize various substrates. Capitalizing on a well-established catalytic mechanism, diverse peroxidase mimics have been widely investigated and optimized. Herein, we report on the design, assembly, characterization, and genetic engineering of an artificial heme-based peroxidase relying on the biotin-streptavidin technology. The crystal structure of both the wild-type and the best-performing double mutant of artificial peroxidase provided valuable insight regarding the nearby residues that were strategically mutated to optimize the peroxidase activity (i.e. Sav S112E K121H). We hypothesize that these two residues mimic the two key second coordination residues involved in activating the bound peroxide in HRP (i.e. Arg 38 and His 42). The evolved artificial peroxidase exhibited best-in-class activity for oxidizing two standard substrates (TMB and ABTS) in the presence of hydrogen peroxide.
Rotaxane-Like Dysprosium(III) Triiodide Single-Molecule Magnets with Tunable Air Stability and Record Energy Barrier
Authors: Zheng Yan-Zhen , Xu Wen-Jie , Luo Qian-Cheng , Li Zi-Han , Zhai Yuan-Qi
Published: September 2023

High-performance and air-stable single-molecule magnets (SMMs) can offer great convenience for the fabrication of information storage devices. However, the controversial requisition of high stability and magnetic axiality is hard to balance for lanthanide based SMMs. Here we show a family of rotaxane-like dysprosium(III) triiodide complexes possessing hexagonal-bipyramidal (pseudo-D6h symmetry) local coordination geometry with tunable air stability and effective energy barrier for magnetization reversal (Ueff). The three complexes share the common formulae of [Dy(18-C-6)L2][I3] (18-C-6 = 1,4,7,10,13,16-hexaoxacyclooctadecane; L = I, 1; L = OtBu 2 and L = 1-AdO 3). 1 is highly unstable in the air. 2 can survive in the air for less than one hour, while 3 remains unchanged in the air for more than one week. This is roughly in accordance to the percentage of buried volumes of the axial ligands. More strikingly, 2 and 3 show progressive enhancement of Ueff and 3 exhibits a record high Ueff of 2427(19) K, which significantly contributes to the 100 seconds blocking temperature up to 11 K for yttrium-diluted sample, setting a new benchmark for air-stable SMMs.
HUMAN SIZE AND SUPERIALITY AS CULTURAL AND ANTHROPOLOGICAL PRINCIPLES OF BEING-BECOMING OF AN ARTISTIC IMAGE
Authors: Беляев И.А. , Максимов А.М.
Published: September 2023

Статья посвящена рассмотрению художественного образа в культурно-антропологическом измерении. Показывается, что этому феномену свойственны человекоразмерность и надындивидуальность, которые трактуются как принципы его существования. В процессе исследования анализируются смысл и основные сферы существования художественного образа, обнаруживаются и детализируются особенности проявления указанных принципов. Философский поиск позволил определить, что принцип человекоразмерности является главенствующим, а надындивидуальности – дополнительным.

The article is devoted to the consideration of the artistic image in the cultural and anthropological dimension. It is shown that this phenomenon is characterized by human size and supra-individuality, which are interpreted as the principles of its existence. During the study, the meaning and main spheres of the existence of the artistic image are analyzed, the features of the manifestation of these principles are discovered and detailed. Philosophical search made it pos-sible to determine that the principle of humanization is dominant, and supraindividuality is additional.
ARCHITECTURAL HERITAGE OF THE CITY: CONFLICT OF CULTURE AND ECONOMY
Authors: Мухамеджанова Н.М. , Максимов А.М.
Published: September 2023

Актуальность темы исследования определяется тем, что в наши дни архитектурное наследие городов, придающее им уникальность, подвергается интенсивному разрушению. Цель исследования состоит в раскрытии значимости архитектурного наследия городов и причин его разрушения в регионах современной России. Исследование проводится с позиций основных положений теории постиндустриального общества и концепции культурного ландшафта В. Каганского. Современные проблемы в сфере сохранности архитектурного наследия России трактуются как проявление острого конфликта города и рынка, культуры и экономики. Особенности протекания этого конфликта рассматриваются на примере состояния архитектурного наследия г. Оренбурга.

The relevance of the topic of research is determined by the fact that these days the architectural heritage of cities, which gives them uniqueness, is subjected to intense destruction. The purpose of the study is to reveal the significance of the architectural heritage of cities and the causes of its destruction in the regions of modern Russia. The study is carried out from the standpoint of the main provisions of the theory of post-industrial society and the concept of the cultural landscape of V. Kagansky. Modern problems in the field of preservation of the architectural heritage of Russia are interpreted as a manifestation of an acute conflict between the city and the market, culture and economy. The peculiarities of the course of this conflict are considered on the example of the state of the architectural heritage of Orenburg.
DIALECTICS AND POSITIVISM IN THE PHILOSOPHY OF RUSSIAN PEASANT DEMOCRATS (by the example of the analysis of the essence of religious movements)
Authors: Архангельская Н.О.
Published: September 2023

В статье рассматривается различие понимания социальной сущности религиозных движений представителями русской крестьянской демократии. Революционные демократы использовали диалектический метод, что давало возможность определить социальную сущность этих движений как выражения интересов различных общественных групп. Ими также ставился вопрос о влиянии религиозной формы выражения взглядов на содержание учения. Т.Н. Грановский, чья позиция по данному вопросу была сходной, также использовал диалектику. Идеологи народничества, опираясь на идеи позитивизма, утратили достижения своих предшественников и в ряде случаев продемонстрировали упрощенный подход к религии. Одной из причин этого был отказ от использования диалектики в качестве метода анализа общественных явлений.

The article examines the difference in understanding of the social essence of religious movements by representatives of the Russian peasant democracy. The revolutionary democrats used the dialectical method, which made it possible to define the social essence of these movements as expressions of the interests of various social groups. They also raised the question of the influence of the religious form of expression of views on the content of the teaching. T.N. Granovsky, whose position on this issue was similar, also used dialectics. The ideologists of narodniks, relying on the ideas of positivism, lost the achievements of their predecessors and in some cases demonstrated a simplified approach to religion. One of the reasons for this was the refusal to use dialectics as a method of analyzing social phenomena.
TRANSITION FROM CHRISTIAN TO NEW EUROPEAN UNDERSTANDING OF HISTORY: PREREQUISITES AND FACTORS OF CHANGE
Authors: Сулимов С.И.
Published: September 2023

Цель исследования – выявление и раскрытие социальных и духовных причин формирования новоевропейского понимания философии истории. Новизна исследования заключается в выявлении факторов общественного развития, повлекших за собой отказ новоевропейских мыслителей от христианского финализма, но не приведших к возвращению традиционной циклической парадигмы понимания истории. В результате исследования нами были обнаружены такие факторы, приведшие к трансформации западноевропейского понимания истории в XVI–XVII вв., как сформировавшийся в городах-коммунах тип личности, стремящейся к индивидуальной деятельности, вере и познанию; распространение книгопечатания; успехи естественных наук; Английская революция, продемонстрировавшая непрочность любого политического режима.

The purpose of the study is to identify and reveal the social and spiritual reasons for the formation of a new European understanding of the philosophy of history. The novelty of the study is to identify the factors of social development that entailed the refusal of New European thinkers from Christian finalism, but did not lead to the return of the traditional cyclical paradigm of understanding history. As a result of the study, we discovered such factors that led to the transformation of the Western European understanding of history in the XVI-XVII centuries. as the type of person that has formed in the communal cities, striving for individual activity, faith and knowledge; distribution of printing; advances in the natural sciences; An English revolution that demonstrated the fragility of any political regime.
ANALYTICAL PHILOSOPHY SIGNIFICANCE IN LEGAL UNDERSTANDING EVOLUTION
Authors: Равочкин Н.Н.
Published: September 2023

Правовая проблематика является одной из наиболее значимых на современном этапе мирового развития. Данный регулятор общественных отношений является вершиной теоретической мысли интеллектуалов различных эпох и цивилизаций. Однако комплексный характер права дает основания для построения множества дискурсивных мостов, связанных с пониманием данного феномена. Сегодня философы стремятся преодолеть проблему неоднозначного восприятия права, а также последующих этапов, связанных с его пониманием и практическим применением. Различные попытки, ориентированные на позитивизацию правопонимания, предлагают плюрализм инструментов и методов для достижения данной амбициозной цели. Представители аналитической философии, преследуя точность и ясность в толковании правовых норм и понятий, предпочитают руководствоваться строгими методами. Настоящая статья посвящена анализу вклада аналитиков в эволюцию правопонимания на современном этапе мирового развития. Осуществлен анализ направлений воздействия идей аналитической философии на правовую сферу. Обозначены ключевые достижения, связанные с контекстуальным пониманием норм. Выявлена двойственная природа права. Проведены разграничительные линии между сферой права и другими областями общественной жизни. В заключение подведены итоги и намечены перспективы дальнейших исследований.

Legal issues are one of the most significant at the present stage of world development. This regulator of social relations is the pinnacle of the theoretical thought of intellectuals of various eras and civilizations. However, the complex nature of law gives rise to the construction of many discursive bridges related to the understanding of this phenomenon. Today, philosophers are trying to overcome the problem of ambiguous perception of law, as well as the subsequent stages associated with its understanding and practical application. Various attempts aimed at the positivization of legal understanding offer a plurality of tools and methods to achieve this ambitious goal. Representatives of analytical philosophy, pursuing accuracy and clarity in the interpretation of legal norms and concepts, prefer to be guided by strict methods. This article is devoted to the analysis of the contri-bution of analysts to the evolution of legal understanding at the present stage of world development. The analysis of the directions of influence of the ideas of analytical philosophy on the legal sphere is carried out. The key achievements related to the contextual understanding of the norms are outlined. The dual nature of law is revealed. Dividing lines are drawn between the sphere of law and other areas of public life. In conclusion, the results are summarized and prospects for further research are outlined.
THE PROBLEM OF FEAR OF NOTHINGNESS, BUDDHISM AND IRWIN YALOM 'S WORLDVIEW
Authors: Буланов В.В. , Ганутина Е.Г.
Published: September 2023

Авторы статьи исходят из того, что страх небытия является одним из основных человеческих страхов. Они проводят сравнение стратегий по ослаблению страха небытия, предложенных буддизмом и И. Яломом. Они приходят к выводу, что обе эти стратегии объединяет призыв к воспитанию своего бесстрастного отношения к небытию.

The authors of the article proceed from the fact that the fear of nothingness is one of the main human fears. They compare strategies to reduce the fear of nothingness proposed by buddhism and I. Yalom. They come to the conclusion that both of these strategies are united by a call to cultivate their dispassionate attitude to nothingness.
PSYCHOLOGICAL FOCUS REPRESENTATIONS OF COLLEGE STUDENTS ABOUT FUTURE PROFESSIONAL ACTIVITIES
Authors: Посохова А.В. , Шептуха В.В.
Published: September 2023

В статье представлены результаты эмпирического исследования направленности представлений учащихся колледжа о своем профессиональном будущем. В исследовании приняли участие учащиеся колледжа, сгруппированные по уровню успеваемости – высокая и невысокая успеваемость. Отмечены психологические трудности в сфере представлений у учащихся, при этом сфера представлений у учащихся с высоким уровнем успеваемости развита существенно больше, чем у учащихся с невысокой успеваемостью. Установлено, что у студентов колледжа, независимо от пола и уровня успеваемости, доминируют утилитарно-прагматические представления, то есть образы представления о материальном достатке, качестве и уровне жизни, которые может обеспечить будущая профессиональная деятельность. Студенты хорошо представляют будущие возможные позитивные изменения, при этом воспринимая их как стабильные. Выявлены недостаточно четкие и ясные представления о себе в профессиональном будущем, возможном статусе и карьере. Проанализированы такие характеристики направленности представлений, как приоритетное внимание, яркость, четкость, интенсивность, реалистичность, устойчивость, оригинальность, контролируемость, влияние на учебу.

The article presents the results of an empirical study of the orientation of college students' ideas about their professional future. The study involved college students, grouped according to the level of academic performance - high and low academic performance. Psychological difficulties in the sphere of representations of students were noted, while the sphere of representations in students with a high level of progress was developed significantly more than in students with low progress. It has been established that college students, regardless of gender and academic performance, are dominated by utilitarian-pragmatic ideas, that is, images of material wealth, quality and standard of living that future professional activities can provide. Students have a good idea of future possible positive changes, while perceiving them as stable. Insufficiently clear and clear ideas about oneself in the professional future, possible status and career were revealed. Such characteristics of the orientation of representations as: priority attention, brightness, clarity, intensity, realism, stability, originality, controllability, impact on learning are analyzed.
PRIMARY VOCATIONAL EDUCATION IN ORENBURG REGION IN THE POST-SOVIET PERIOD
Authors: Хасанова Ю.Р.
Published: September 2023

Освещены важные преобразования в системе начального профессионального образования в Оренбургской области начиная с 1991-го по 2000-е гг. Показана специфика переходного периода, когда шла перестройка законодательного характера, заложившая нормативно-правовую основу новой российской государственности. Использованы материалы «Российского статистического ежегодника» (Федеральная служба государственной статистики). Основное внимание уделено вопросам преобразования стандартов госрегулирования образовательного функционирования, созданию рыночной институциональной среды, а также модернизации экономических систем в начальном профессиональном образовании региона.

The article is devoted to important transformations in the system of initial vocational education in the Orenburg region from 1991 to the 2000s. The author shows the specifics of the transition period from 1991-2000s., when the legislative restructuring took place, which laid the legal basis for the new Russian statehood. In the article, the author uses quantitative characteristics that are indicative and are not of a principled nature, as there are discrepancies in the field of statistics in education, which is related to both different approaches in the calculation, and with a uniform understanding of a fixed phenomenon. The author uses materials of «Russian statistical yearbook» (Federal Service of State Statistics). The author focuses on issues of transformation of standards of state regulation of educational functioning, creation of market institutional environment, as well as modernization of economic systems in primary vocational education of the region.
Relationship between personality traits and creative thinking among secondary school students
Authors: Ismail Thamarasseri , Soja Jacob
Published: September 2023

Personality traits are enduring dispositions in behavior that show differences across individuals and tend to characterize the person across varying types of situations. Creative thinking is a thinking process that produces new methods, concepts, understandings, inventions, and works of art. It is the art of exploring student progress. Due to a lack of creative thinking, the progress of inventions in the fields of science and technology has declined. Therefore, there is an urgent need to encourage learners to acquire creative thinking, which, in turn, will provide a platform for individuals to cultivate other psychological dimensions. The present study is an attempt to identify the creative thinking capacity of secondary school students and its influence on their personality traits. The acquisition of these skills will definitely mold individuals to become vibrant in all sectors of education.
Scientific temper among undergraduate students: A comparative study based on demographic variables
Authors: Akash Padhan , Gopikanta Suna , Venkateswar Meher
Published: September 2023

This study investigates scientific temper among undergraduate students with respect to demographic variables such as gender, stream, caste, family types, and locality. The study included 108 undergraduate students selected by stratified purposive sampling. Primary data were collected using the standardized "Scientific Temper Inventory." The results revealed that most of the undergraduate students possessed above-average scientific tempers. It also revealed that undergraduate students from urban areas and students from joint families had significantly higher scientific tempers. No significant variations were found in the scientific temper of students in terms of gender, stream, religion, or caste.
OBE-based pedagogy and analysis on web application development
Authors: K. Devi Priya , V. Chandra Kumar
Published: September 2023

Outcome-Based Education (OBE) is a student-centric approach to education that focuses on the outcomes of student learning. This paper discusses the pedagogy followed for the skill-oriented course Web Application Development using Full Stack Module-1. It emphasizes the front-end design of web applications using HyperText Markup Language (HTML), Cascading Style Sheets (CSS), JavaScript, and jQuery. The criteria for analysis and evaluation were based on the rubrics defined in the course structure according to OBE. The results show that there is an improvement in the students skills from the perspective of industry expectations in terms of communication, presentation, and report writing skills. The findings of this paper it is clear that OBE can be an effective approach to teaching and learning skills-oriented courses. The results also suggest that OBE can help students develop the skills that are necessary to succeed in the workforce.