bluuebunny/crossref_metadata_2025 huggingface dataset:
ІНДИВІДУАЛЬНА СВОБОДА У ДОБУ СОЦІАЛЬНИХ МЕДІА: ПРОБЛЕМИ ТА ПЕРСПЕКТИВИ
Authors: ЗАХАРОВ Вячеслав
Published: December 2024

Анотація. Запропоноване дослідження звертається до вічного питання про індивідуальну свободу, яке актуалізується у добу стрімкого та активного розвитку соціальних медіа (соціальних мереж, зокрема). Актуальність статті зумовлена значним впливом глобалізації та цифровізації на всі сфери буття сучасної людини, що надають нові можливості для нової/ старої/іншої самопрезентації в соціальних мережах, а разом з тим ставить нові питання щодо процесу реалізації свободи особистості, відповідальності та нових її кордонів. А головне питання – хто має захищати цю свободу? Метою статті є аналіз сутності феномену свободи та пошук її меж у цифровому просторі (соціальні мережі), виокремлюючи позитивні та проблемні аспекти цього питання. Щоб досягти зазначеної мети, автор дослідження запропонованої роботи використали цілий комплекс таких наукових методів. В основі запропонованого дослідження лежить порівняльно-історичний метод. Використовуючи його, автор проаналізував еволюцію думки про індивідуальну свободу від античності до сучасності. Застосування другого методу – герменевтичного – надало змогу дослідити та розкрити зміст поняття свободи у контексті цифрових комунікацій через аналіз текстів, законів щодо захисту прав людини та смислів. Наукова новизна дослідження полягає в конкретизації поняття свободи в рамках сучасного цифрового простору, враховуючи такі аспекти, як свобода слова, свобода вибору, «цифрова ідентичність», мова ворожнечі, цифрова риторика, відповідальність, захист людини в соціальних мережах. У кінці статті автор дійшов висновку, що свобода є явищем, яке одночасно контролюється і внутрішніми регуляторами, і правом (зокрема). А соціальні медіа, з одного боку, створюють нові простори та можливості для творчості, самовисловлювання, прояву людини (нові форми та прояви свободи), а з іншого – вони є простором зі своїми законами задля захисту приватності та особистості. Перспективи забезпечення свободи в соціальних мережах та водночас фізичної безпеки людини залежать від законів, компаній-власників (творців) мереж та самих користувачів.
On The Pros and Cons of Using Excel for Regression Analysis
Authors: Buzrul Sencer
Published: December 2024

Excel is a useful and powerful software for simple regression analysis without any programming skills and that is why, it is widely preferred by the undergraduate students from various areas such as chemistry, biology and agriculture as well as many engineering disciplines such as chemical engineering, food engineering and bioengineering. Parameter values and coefficient of determination (R2) can be easily obtained together with the graphical representation for those models exist in Excel such as linear and exponential models. It is also possible to visually examine the model fit and experimental data together on the same graph. For linear models (linear in parameters) Excel Add-In Data Analysis-Regression tool creates a summary output, and parameter estimates, parameter uncertainties, adjusted R2 (R2adj) and root mean square error (RMSE) values can be found even for the models that do not exist in Excel. For nonlinear models (nonlinear in parameters) Excel Add-In Solver tool can be used to obtain parameter estimates (but not uncertainties), and R2, R2adj and RMSE can be calculated manually. Despite these advantages, there are some shortcomings of Excel for regression analysis. For linear models with no-intercept Excel reports the incorrect and overoptimistic R2 and also reports incorrect and overpessimistic R2adj. Excel has also some nonlinear models such as exponential and power models in it; however, Excel computes linear parameter estimates for those nonlinear models and again optimistic R2 is calculated. This paper aims (i) to show these inaccuracies with their reasons by using published data, (ii) how to obtain the correct results, (iii) to warn the instructors who would use Excel for regression analysis in class. Excel users (instructors, students, professionals in any field) should be aware of the pitfalls when using Excel for regression.
Üniversite Öğrencilerinin/Tüketicilerin Organik Hayvansal Ürünler Hakkındaki Bilgi, Tutum ve Davranışlarının İncelenmesi
Authors: Aral Oğulcan , Cufadar Yusuf
Published: December 2024

Bu çalışma, üniversite öğrencilerinin/tüketicilerinin organik hayvansal ürünlere yönelik bilgi, tutum ve davranışlarını belirlemeyi amaçlamaktadır. Çalışmaya 1389 üniversite öğrencisi dâhil edilmiştir. Verileri 15 Ekim 2023- 15 Ocak 2024 tarihleri arasında toplanmıştır. Analizde t testi, ANOVA ve Pearson Korelasyon testi kullanılmıştır. Araştırma sonucunda üniversite öğrencilerinin organik ürünler hakkında yeterli bilgiye sahip olmadıkları, ancak organik hayvansal ürünleri tükettiklerini belirttikleri tespit edilmiştir. Üniversite öğrencilerinin organik hayvansal ürünler hakkında bilgi edinme kaynakları arasında internet, sosyal medya, aile ve akrabalar öne çıkmaktadır. Ayrıca, öğrencilerin organik hayvansal ürünler arasında süt ve süt ürünleri ile kırmızı veya beyaz eti tercih ettiği tespit edilmiştir. Bu ürünleri genellikle memleketlerinden veya tanıdık üreticilerden temin ettikleri görülmüştür. Üniversite öğrencilerinin organik hayvansal ürünlere yönelik bilgi, tutum ve davranışlarının bazı değişkenlere göre istatistiksel olarak anlamlı şekilde farklılaştığı ortaya çıkmıştır. Organik hayvansal ürünlere yönelik bilgileri ile tutumları arasında zayıf bir pozitif ilişki, tutum ile davranışları arasında ise pozitif yönde orta düzeyde anlamlı bir ilişki saptanmıştır. Bu çalışmanın sonuçları, üniversite öğrencileri organik hayvansal ürünlere yönelik bilgi, tutum ve davranışları hakkında önemli bilgiler sağlamaktadır. Ayrıca, Türkiye’de üniversite öğrencileri arasındaki organik hayvansal ürünlerin popülerliği ve tüketim alışkanlıkları hakkında kapsamlı bir anlayış sunmaktadır.
Gıda Biyokoruyucuları olarak Bakteriyosinler: Etki Mekanizması, Saflaştırılması ve Karakterizasyonu
Authors: Öztürk Berna , Yücel Şengün İlkin
Published: December 2024

Son yıllarda tüketicilerin doğal ürünleri tüketmeye yönelik eğilimlerinin artması ile birlikte olumsuz etkileri olmayan, çevre dostu, güvenli ve yüksek antimikrobiyal etkiye sahip biyokoruyucular, gıda endüstrisinde alternatif antimikrobiyal ajanlar olarak daha önemli bir konuma gelmiştir. Laktik asit bakterileri tarafından doğal süreçler sonucu üretilen bakteriyosinler gıda güvenilirliğinin sağlanması ve kalitesinin arttırılması açısından önemli bir potansiyel sunmaktadır. Bakteriyosinler logaritmik fazda ya da logaritmik fazın sonunda ribozomal olarak sentezlenen ve antagonistik etkiye sahip olan antimikrobiyal peptitlerdir. Bakteriyosinler, Gram-pozitif ve Gram-negatif bakteriler üzerine hücre zarında gözenek oluşumu ve hücre duvarı yapısının bozulması gibi çeşitli etki mekanizmalarına sahiptir. Bakteriyosinlerin karakterize edilebilmesi için saflaştırma proseslerinin verimli olması oldukça önemlidir. Ayrıca, geri kazanım verimini arttırmak amacıyla mikroorganizmaların üreme koşullarının optimize edilmesi büyük önem taşımaktadır. Bakteriyosinlerin ısıya karşı stabil olmaları, yüksek sıcaklıkta işlem gören birçok gıda maddesinde kullanılabilirliklerini arttırmaktadır. Bu derleme çalışmasında, bakteriyosinlerin sınıflandırılması, etki mekanizması, üretimine etki eden faktörler, optimizasyonu, saflaştırılması ve karakterizasyonunun yanı sıra gıda sistemlerindeki inhibitör etkinlikleri ele alınmıştır.
Responsabilidad social empresarial y el objetivo ONU crecimiento económico sostenido en México
Authors:   Universidad Veracruzana, García Gálvez Jorge Antonio , Torres Rechy Juan Ángel ,   Soochow University, Gómez Cabañas José Rafael ,   Universidad Veracruzana
Published: December 2024

La crisis económica ocasionada por la pandemia de COVID-19 orilló a las empresas a replantearse sus planes de negocios y subsistir se convirtió en su objetivo principal, en un ambiente de incertidumbre. Los empresarios apuntalaron a la sociedad mediante la Responsabilidad Social Empresarial (RSE) establecida en los Valores y Principios del Pacto Mundial de Naciones Unidas (ONU, 2000), contribuyendo al cumplimiento del Objetivo número 8: Trabajo Decente y Crecimiento Económico de los Objetivos de Desarrollo Sostenible (ODS), también emitidos por la ONU (2015).

El propósito del trabajo es describir las acciones realizadas por empresarios afines a la RSE relacionadas con el ODS número 8. Se reseñan los eventos de la pandemia y su impacto en la economía al 30 de junio de 2022; asimismo, se describe la RSE y el ODS número 8. El análisis tiene un carácter cualitativo. Se consultaron textos de investigación, medios electrónicos, revistas especializadas en sanidad, negocios, y diarios de circulación nacional e internacional.

En las conclusiones se reflexiona sobre las posibles soluciones a la crisis económica y la importancia del sector privado en la recuperación. Sin una cooperación entre empresas y gobierno los problemas de México empeorarán en 2023.
El burnout por el teletrabajo - trabajo en casa y el covid-19
Authors:   Benemérita Universidad Autónoma de Puebla, Vera Muñoz María Antonieta Monserrat , Vera Muñoz José Gerardo Serafín ,   Benemérita Universidad Autónoma de Puebla, Serrano Pavón Karen Viridiana ,   Benemérita Universidad Autónoma de Puebla
Published: December 2024

Burnout (síndrome del trabajador quemado) ha sido eje central de diversos estudios relacionados con colaboradores, buscando entre otros aspectos, identificar sus detonantes y la forma de evitarlos para conservar la calidad de vida de las personas. La afección ha pasado de su descripción como un estado de agotamiento vital, a considerarse como desgaste resultante de estrés crónico derivado de actividades laborales; en enero 2022 la Organización de la Salud (OMS), integra en la 11ª edición de la clasificación internacional de enfermedades (CIE-11), al Burnout y de acuerdo con la misma, desde 2017 México ocupa el primer lugar en Burnout, situación que se mantiene para 2024, sumando a los detonantes del Burnout el Incremento del teletrabajo y el trabajo en casa derivado de la pandemia por COVID-19 que llegó a México en febrero de 2020 y hasta el 2024 sigue presente. Por lo que el objetivo general del trabajo es: identificar la existencia del Burnout, sus principales detonantes y su relación con la realización del teletrabajo-trabajo en casa, ante la pandemia COVID-19. Metodológicamente se aborda de forma mixta. Los resultados se presentan prioritariamente de forma cuantitativa, la muestra está integrada a conveniencia por 72 trabajadores de la educación superior poblana, a quienes se aplicó un cuestionario de 46 preguntas; de mayo a agosto 2023. Los resultados muestran la presencia del burnout en los integrantes de la muestra, como principales detonantes la falta de control y familiaridad con las actividades del teletrabajo–trabajo en casa y la existencia débil de la relación entre el Burnout y el teletrabajo-trabajo en casa. Como hallazgo, empíricamente se identificó que, de un rechazo inicial al trabajo en casa ahora es preferido sobre el trabajo presencial. Teniendo como limitación haber trabajado únicamente con una muestra de trabajadores de educación superior poblana.
Adaptación a la IA en devoluciones de ISR a contribuyentes
Authors:   Universidad Veracruzana, Piedra González Valeria , García García María del Carmen ,   Universidad Veracruzana
Published: December 2024

Derivado de la necesidad de adaptación de los contribuyentes, ante la implementación de la IA por parte de la Autoridad Fiscal en su plataforma, específicamente en los sistemas de devoluciones de ISR. La Autoridad brinda las herramientas necesarias con el propósito de que dichos contribuyentes puedan presentar sus trámites de devolución de ISR y solicitar en su caso, su saldo a favor, conociendo que gracias a la IA su procedimiento puede realizarse de una forma más ágil y con la seguridad de que su información está contenida en los propios sistemas implementados por el Servicio de Administración Tributaria (SAT).

Un reflejo de los beneficios que México obtiene con la implementación de la IA en su Sistema Tributario es el impacto que tiene en las cifras de aumento en el número de declaraciones anuales de ISR y de devoluciones pagadas. El nivel de adaptación de los contribuyentes en la plataforma y aplicativos del SAT ha ido progresando, sin embargo, las áreas de oportunidad que se presentan para mejorar siempre requerirán un análisis y es por ello que el objetivo del presente estudio es determinar qué tan efectivo ha sido para los contribuyentes la aplicación de la IA en los trámites de devoluciones de ISR.

La metodología es empleada con enfoque mixto. Se aplica la herramienta de investigación de encuesta para medir el nivel de adaptación de los contribuyentes ante la implementación de la IA en los trámites de devolución de ISR y observar el grado de aceptación de la gestión utilizando dicha tecnología.
FESTA COMPLETA, COM AFETOS E PERTENÇAS, UM ESTUDO DE CASO EM TORNO DO “FESTIVAL DA COMIDA CONTINENTE”, PORTO-PORTUGAL
Authors: Rebouças Diego Soares , Guerra Paula
Published: December 2024

O universo dos festivais, para o estudo da cultura de fandoms, tem se tornado cada vez mais uma paragem obrigatória para a compreensão das dinâmicas culturais das/nas sociedades contemporâneas. Enfocando o “Festival da Comida Continente 2023” como caso emblemático, este artigo promove uma análise de como comida e música, como cernes da programação do evento, tornam-se vetores de agregação e sociabilidade para a elaboração do que alguns estudiosos têm chamado/identificado de cenas culturais (Bennett, 2004, 2014; Blum, 2001; Guerra, 2024, 2021, 2018, 2017, 2016). Importa referir que o caso em estudo levanta condições para desenharmos o conjunto de comportamentos do público do festival como o principal promotor de uma lógica de coletivização pulsante, de partilha de interesses que se inter-relacionam e se externalizam tornando-se uma fulcral parcela para a existência da cena cultural.
Axiological foundations of local civilizations: formation of the concept of freedom in philosophical and religious systems
Authors: Grachev Bogdan
Published: December 2024

The subject of the study is the formation and content of ideas about freedom in the most significant philosophical and religious traditions and the outline of its links with modernity. Such traditions determine the nature of local civilizations. Understanding the unarticulated but latently present senses, mutual consideration of the hierarchies of values of large human communities can contribute to improving the quality of intercultural and intercivilizational dialogue. In each of the considered teachings, "freedom" turns out to be unique, and often incomparable. Moreover in such traditions as Confucianism and Taoism the category is implicit. The understanding of "freedom" is traced in the ancient tradition, starting with Homer, the period of the European Middle Ages, the views of representatives of various branches of Arab-Muslim thought, Hinduism and Buddhism. A synthesis of the approaches of dialectical ascent (using antinomic categories) and socio-cultural comparison is used. In case the target categories of "freedom", "free will", "freedom for", "freedom from" are not directly manifested, its reconstruction is carried out by means of analytical explication. The core result is the identification of the fact of incomparability of concepts of freedom in different traditions, and hence the non-universal nature of the globalization is stated. Although liberal project is extremely successful nowadays, in the long term it is likely to be curtailed as other cultural and philosophical doctrines do not elaborate similar content and other values are in their focus. The special contribution of the author is in posing the question of multi-civilizational axiological comparison, the development of methodology of which is a significant and highly relevant research task, as well as the initial testing of the methodology.
Metaphysical attributes in natural theology Archpriest Fyodor Golubin
Authors: Ermolaev Tikhon Markovich
Published: December 2024

The article presents a historical-philosophical and historical-theological analysis of the main topics of natural theology in the philosophical heritage of Archpriest Fyodor Golubinsky, professor of the Moscow Theological Academy (1798–1854). This research examines the doctrine of Divine attributes, which is one of the key sections of natural theology. This teaching by Golubinsky serves as the basis for the next section of his system devoted to Divine Providence, therefore, the study of the doctrine of the properties of God is necessary for a full understanding of the apologetic heritage of the professor. The focus of the research is on metaphysical divine attributes, they are common to theistic religious traditions. The article refers to pre-revolutionary spiritual and academic education, the study of which is necessary for a better orientation in the domestic educational space. A study of the legacy of Archpriest Fyodor Golubinsky confirms that the topic of Divine attributes has traditionally been taught in both dogmatic and rational theology. This underlines the importance of integrating philosophical and theological aspects in the training of the clergy, which, in turn, can have an impact on modern theological discourse and its development. The work uses general scientific methods (analysis, synthesis, comparison, systematic approach, etc.), as well as special (historical-theological and historical-philosophical). It should be noted that spiritual and academic natural theology remains almost unexplored when various topics of rational theology are actively being developed in the modern scientific space. Being an extraordinarily erudite teacher and scientist, Golubinsky integrated Orthodox religious experience into a wide theological and philosophical context, enriching domestic humanitarian and theological spaces with many fundamental Christian provisions, while preserving the methodology of natural theology. This article highlights the main sources that influenced the formation of his teaching on the metaphysical properties of God. The article highlights the strengths of the professor's constructions, in particular, in the context of substantiating the attribute of simplicity, about which active discussions are underway in the modern scientific space. The need for further research on this issue is emphasized.
Aerodynamic Nonlinearity Effects on Flight Dynamics of a Very Flexible Flying Wing
Authors: dos Santos Luiz G. P. , Cesnik Carlos E. S. , Marques Flávio D.
Published: December 2024

High-aspect-ratio (AR) wings are the prominent feature of very flexible aircraft, and greater AR designs are being explored for enhanced flight efficiency in civil aviation. However, the impact of higher flexibility on the aeroelastic behavior of fixed-wing aircraft still needs to be fully understood. This paper assesses the effects of aerodynamic nonlinearities from flow separation on the maneuvering and gust response of a high-aspect-ratio flying wing using low-order models. Three aerodynamic formulations are evaluated: a linear model without stall effects, a piecewise linear model with steady-stall characteristics, and a nonlinear model accounting for dynamic-stall phenomena. All models perform similarly during maneuvering oscillations near stall conditions, but the dynamic-stall model foresees flight dynamic instabilities poststall, which are not seen in other models given the same maneuver input. Under a limited number of discrete and continuous gust disturbances, the model without stall effects behaves nonconservatively, whereas the steady-stall model is more conservative compared to the dynamic-stall model, with respect to the prediction of flight instabilities. These outcomes highlight the importance of accounting for aerodynamic nonlinearities in understanding the flight dynamics of very flexible aircraft under moderate-to-high angle-of-attack excitations.
Safety of emergency endoscopic endonasal surgery in COVID-positive patients with hemorrhagic complications of pituitary region tumors: A case report and review of the literature
Authors: Zeller Sabrina L , Kim Michael G. , Al-Mufti Fawaz , Hanft Simon J. , Kim Matthew , Pisapia Jared M.
Published: December 2024

Background:

Pituitary apoplexy (PA) is a rare, life-threatening clinical syndrome that occurs in response to acute ischemic infarction or hemorrhage of a pituitary adenoma. We report two cases of sudden neurologic and visual decline in patients with pituitary region masses in coronavirus disease (COVID)-positive patients with a focus on potential pathophysiological mechanisms and a safe approach to treatment.

Case Description:

Case one is a 58-year-old male presenting with sudden-onset headache and visual disturbance. He was febrile and tested positive for COVID-19. Magnetic resonance imaging (MRI) revealed a large sellarsuprasellar mass with intratumoral hemorrhagic components. He underwent endoscopic endonasal resection with subsequent improvement in vision and oculomotor function. Pathology was consistent with hemorrhagic pituitary adenoma. Case two is a 15-year-old male presenting with sudden-onset severe headache and acute visual loss. He also tested positive for COVID-19. MRI revealed a sellar-suprasellar mass with a regional mass effect. He underwent endoscopic endonasal resection with improvement in vision over time. Pathology was consistent with craniopharyngioma. There was no evidence of intraoperative COVID-19 transmission among members of the surgical team, who were monitored for 2 weeks after surgery.

Conclusion:

PA in the setting of severe acute respiratory syndrome coronavirus 2 infection should be considered in the differential diagnosis of a COVID-positive patient presenting with acute severe headache, visual loss, and/or ophthalmoplegia; we discuss proposed mechanisms related to inflammation, coagulability, and hypoxia. The absence of intraoperative COVID-19 transmission during transsphenoidal resection performed in an emergency setting suggests that the risk of exposure may be attenuated with safety precautions.
An overview of intramedullary spinal cord metastases accompanied by a 2D intraoperative video
Authors: Stewart Nehemiah , Lee Brandon , Bourdages George , Galgano Michael
Published: December 2024

Background:

Metastatic intramedullary spinal cord metastases (IMSCMs) constitute <2% of spinal cord tumors. IMSCM is a late-stage manifestation of cancer with a highly variable presentation and poor survival rate. Here, we present an operative video involving gross total resection of an IMSCM (i.e., non-small-cell lung cancer [NSCLC]) in a 74-year-old male.

Case Description:

A functionally independent 74-year-old male with a history of renal cell carcinoma (i.e., prior nephrectomy) and NSCLC presented with progressive right-sided hemiparesis/hemisensory loss. The patient’s magnetic resonance imaging showed a right-eccentric metastatic lesion extending from the inferior of C3 to the superior of C5. The patient underwent a laminectomy with C2-C6 instrumentation for focal en bloc resection of the tumor (i.e., pathologically proven to be NSCLC). During surgery, dorsal column mapping defined the electrophysiological midline before proceeding with the midline myelotomy. Five months postoperatively, the patient’s right-sided motor function continued to improve, and he was able to continue adjunctive therapies for his NSCLC.

Conclusion:

This study documents the efficacy/utility of gross total en bloc resection in preserving/improving the neurological function of IMSCM lesions in elderly patients.
Catastrophic risk management: Stochastic hybrid model to calculate the loss index trigger for catastrophe bonds (cat bonds). Adjustment using evolutionary strategies
Authors: P´érez-Fructuoso María José , Berlanga de Jesús Antonio
Published: December 2024

Purpose: This paper develops a stochastic model to calculate the loss index trigger for catastrophe bonds as alternative instruments for the management of major insured risks, such as natural catastrophe. Methodology: The underlying loss index of catastrophe bonds is the aggregate catastrophe losses reported before the end of certain period. The catastrophe severity is defined as the sum of two random variable: the reported loss amount and incurred-but-not-yet-reported loss amount, and the central hypothesis is that the latter decreases proportionally to a linearly increasing function up to a certain time and constant thereafter, called the hybrid claim reporting rate. Randomness in the reporting process is represented by a geometric Brownian motion in the claim reporting rate. The validity of the proposed model is evaluated by estimating its parameters using machine learning techniques (specifically, evolutionary strategies, ES). Findings: The results shows that the model accurately captures the uneven behavior of the claim reporting process over time and therefore correctly describes the catastrophic claims reporting process. Originality: The model proposed allows for an easy calculation of catastrophic loss indexes, thus facilitating the pricing of loss index-triggered Cat bonds. This translates into better catastrophe risk management for both insurance and reinsurance companies, as well as for those companies that diversify their portfolios with this type of financial instruments. The simplicity of the presented model facilitates parameter estimation and simulation.
Binding Motifs of Doubly- and Singly-charged Proton-bound Clusters of B12F122– and Diaminoalkanes
Authors: Lee Arthur Enoch , Thomas Patrick , Kates Courtney , McMahon Terrance B. , Hopkins W. Scott
Published: December 2024

The complexation of perfluorinated dodecaborate, B12F122–, with protonated diaminoalkanes, [H2N(CH2)nH2N] (n = 2 – 12), are studied with a combination of infrared multiple photon dissociation (IRMPD) action spectroscopy and ion mobility spectrometry. Singly-charged clusters of the form [B12F12 + H2N(CH2)nH2N + H]– (n = 2 – 12) and doubly-charged clusters of the form [2B12F12 + H2N(CH2)nH2N + 2H]2– (n = 2 – 12) are observed and characterized experimentally and computationally. For the singly-charged clusters, low-energy structural motifs associated with monodentate and bidentate binding of the diaminoalkane are computed, as well as a conformation involving intramolecular hydrogen bonding between the amino moieties. For the doubly-charged clusters, the doubly-protonated diaminoalkane acts as a tether between two B12F122– cages. Major product channels of the singly-charged and the doubly-charged species are found to be the formation of HB12F122– via proton transfer and the loss of B12F122–. The fragmentation of HB12F12–leads to several secondary products, including [B12F11 + N2]–. Collision cross sections (CCSs) for the singly-charged clusters are reported and the major subpopulation of the gas-phase ensemble for the different singly-charged species is the bidentate conformation.
Perchlorate Fusion–Hydrothermal Synthesis of Nano-Crystalline IrO2: Leveraging Stability and Oxygen Evolution Activity
Authors: Moss Genevieve C , Binninger Tobias , Rajan Ziba S.H.S , Itota Bamato J , Kooyman Patricia J , Susac Darija , Mohamed Rhiyaad
Published: December 2024

Iridium oxides are the leading oxygen evolution reaction (OER) electrocatalysts for proton-exchange-membrane water electrolyzers (PEMWEs). However, improving iridium utilization is crucial due to its high cost and scarcity. Crystalline rutile-type iridium dioxide (IrO2) offers superior stability in acidic OER conditions compared to amorphous iridium oxide (IrOx), but the high synthesis temperatures required for crystalline phase formation reduce OER activity by decreasing active surface area. Herein, we present a novel perchlorate fusion–hydrothermal (PFHT) synthesis method to produce nano-crystalline rutile-type IrO2 nanoparticles with exceptional OER performance. This low-temperature approach involves calcination 300 °C in the presence of a strong oxidizing agent, sodium perchlorate, followed by hydrothermal treatment at 180 °C, yielding ~2 nm IrO2 nanoparticles. The catalyst achieved a high mass-specific OER activity of 95 A gIr–1 at 1.525 VRHE in ex situ glass-cell testing. Notably, the PFHT-synthesized IrO2 demonstrated remarkable stability under harsh accelerated stress test conditions, outperforming commercial catalysts. The exceptional activity of the catalyst was confirmed with in situ PEMWE single-cell evaluations. This demonstrates that the PFHT synthesis method leverages the superior intrinsic properties of nano-crystalline IrO2, effectively overcoming the typical trade-offs between OER activity and catalyst stability, making it a promising approach for advancing PEMWE technologies.
Quantifying Hexafluoroisopropanol’s H-Bond Donor Ability: Infrared Photodissociation Spectroscopy of Halide Anion HFIP Complexes
Authors: Barp Milena , Kreuter Florian , Huang Qian-Rui , Jin Jiaye , Ninov Franka. E. , Kuo Jer-Lai , Tonner-Zech Ralf , Asmis Knut R
Published: December 2024

We report on the gas phase vibrational spectroscopy (3500-950 cm-1) of halide anion complexes with 1,1,1,3,3,3-hexafluoroisopropanol (HFIP) and its partially deuterated analog (HFIP-d1). Infrared photodissociation spectra of messenger-tagged Xˉ(HFIP/HFIP-d1), with Xˉ = Clˉ, Brˉ, and Iˉ together with electronic structure calculations reveal O-H(D) stretching fundamentals that are red-shifted twice as much as those for the corresponding complexes with isopropanol and water, directly reflecting HFIP’s enhanced hydrogen-bond donor ability. The harmonic analysis of the bands in the fingerprint region reveals that HFIP assumes a synperiplanar conformation in the complexes. The consideration of anharmonic effects is necessary to recover the efficient coupling between stretching and bending modes in the OH stretching region. An energy decomposition analysis shows that the roughly twice as large binding energy in the HFIP complexes vs. i-PrOH and water is determined mainly by differences in the electrostatic attraction. The observed red-shifts, which reflect the extent of charge transfer along the coordinate of the proton transfer reaction Xˉ + HM → XH + Mˉ, correlate qualitatively with the difference in the proton affinities ΔPA = PA(Xˉ) – PA(Mˉ). A more quantitative agreement requires also considering differences in the hydrogen bond angle.
Entangled excited state branching processes in a Ru(II)-based push-pull triad
Authors: Yang Guangjun , Blechschmidt Louis , Zedler Linda , Zens Clara , Witas Kamil , Rau Sven , Shillito Georgina E. , Dietzek-Ivanšić Benjamin , Kupfer Stephan
Published: December 2024

Compared with triplet metal-to-ligand charge transfer (3MLCT) states, charge-separated (3CS) excited states involving organic moieties, such as triplet intra-ligand or ligand-to-ligand charge transfer (3ILCT and 3LLCT) states, tend to possess longer-lived excited states due to the weak spin-orbit coupling with the closed-shell ground state (GS). Thus, the combination of both inorganic and organic chromophores enables the isolation of triplet excited states onto the organic chromophore. Herein, we aim to elucidate the entangled excited-state relaxation processes in a Ru(II)-terpyridyl push-pull triad (RuCl) in a joint spectroscopic-theoretical approach combining steady-state and time-resolved spectroscopy as well as quantum chemical simulations and dissipative quantum dynamics. The kinetics of the underlying electron transfer (ET) processes involving the low-lying 3MLCT, 3ILCT and 3LLCT excited states were investigated experimentally and computationally within a semi-classical Marcus picture, which allowed us to evaluate the ET processes between along the 3MLCT-3ILCT and the 3MLCT-3LLCT channels. Finally, dissipative quantum dynamical simulations – capable of describing incomplete ET processes involving all three states of interest – enabled us to unravel the competitive excited state relaxation channels at the short timescale vs. at the long timescale among the strongly coupled 3MLCT-3ILCT states as well as the weakly coupled 3MLCT/3ILCT-3LLCT states.
Crystallization of manganese (V) oxides by hydroflux synthesis: Control of anisotropic growth and electrochemical stability
Authors: Inocêncio Carlos V. M. , Torres-Pardo Almudena , Montero David , Roach Lucien , Autran Pierre-Olivier , Sassoye Capucine , Aymonier Cyril , Varela Aurea , Parras Marina , Laberty-Robert Christel , Portehault David
Published: December 2024

Despite intriguing optical, magnetic, and redox properties, inorganic materials containing pentavalent manganese (Mn5+) are rare and could never be designed as shape-controlled crystals, which limits the ability to tune properties. Herein, we explore alkali hydroxide mixtures with controlled water content, namely hydrofluxes, to demonstrate phase, shape, and nanostructure control of Mn(V) oxides. We demonstrate speciation among KSrMnVO4, Sr5(MnVO4)3OH, and SrMnIVO3 with the water content, the strontium content, and the nature of the alkali cation of the hydroxide salt. We then provide evidence of the key role of water in enabling shape and nanostructure control, which we relate to the preferential interaction of water with specific crystal facets of the hydroxyapatite Sr5(MnVO4)3OH, and to the impact of water on precursor solubility in water-poor hydrofluxes. We then show that nanostructured Mn(V) hydroxyapatite possesses an acid-base redox stability window enabling electrochemical operation in strongly oxidative conditions. By correlating fundamental knowledge of hydrofluxes with crystallization mechanisms, this work sheds light on the possibilities offered by hydrofluxes for crystal shape, size and property control.
Enhanced Sampling with Sub-optimal Collective Variables: Reconciling Accuracy and Convergence Speed
Authors: Ray Dhiman , Rizzi Valerio
Published: December 2024

We introduce an enhanced sampling algorithm to obtain converged free energy landscapes of molecular rare events, even when the collective variable (CV) used for biasing is not optimal. Our approach samples a time-dependent target distribution by combining the On-the-fly probability enhanced sampling (OPES) and its exploratory variant, OPES Explore (OPESe). This promotes more transitions between the relevant metastable states and accelerates the convergence speed of the free energy estimate. This is accomplished We demonstrate the successful application of this combined algorithm on the two-dimensional Wolfe-Quapp potential, millisecond timescale ligand-receptor binding in trypsin-benzamidine complex, and folding-unfolding transitions in chignolin mini-protein. Our proposed algorithm can compute accurate free energies at an affordable computational cost and is robust in terms of the choice of collective variables, making it particularly promising for the simulation of complex biomolecular systems.
DICE: fast and accurate distance-based reconstruction of single-cell copy number phylogenies
Authors: Weiner Samson , Bansal Mukul S
Published: December 2024

Somatic copy number alterations (sCNAs) are valuable phylogenetic markers for inferring evolutionary relationships among tumor cell subpopulations. Advances in single-cell DNA sequencing technologies are making it possible to obtain such sCNAs datasets at ever-larger scales. However, existing methods for reconstructing phylogenies from sCNAs are often too slow for large datasets. We propose two new distance-based methods,DICE-barandDICE-star, for reconstructing single-cell tumor phylogenies from sCNA data. Using carefully simulated datasets, we find that DICE-bar matches or exceeds the accuracies of all other methods on noise-free datasets and that DICE-star shows exceptional robustness to noise and outperforms all other methods on noisy datasets. Both methods are also orders of magnitude faster than many existing methods. Our experimental analysis also reveals how noise/error in copy number inference, as expected for real datasets, can drastically impact the accuracies of most methods. We apply DICE-star, the most accurate method on error-prone datasets, to several real single-cell breast and ovarian cancer datasets and find that it rapidly produces phylogenies of equivalent or greater reliability compared with existing methods.
General overview of the collection of persian manuscripts of the National library of the Republic оf Kazakhstan
Authors:   AL-FARABI KAZAKH NATIONAL UNIVERSITY, Kambarbekova Galiya , Kari Kuanyshbek
Published: December 2024

In the article, it was examined a comprehensive overview of manuscripts in the Persian language, stored in the manuscript fund of the National Library of the Republic of Kazakhstan. A brief history of the distribution of Persian manuscripts in Kazakhstan and the needs of the local population for literature distributed in the form of Persian manuscripts were presented with specific examples. The main reason for this is that the Persian language was not only the language of poetry but also the language of science, especially historical works. These words are evidenced by the fact that since the Middle Ages Persian manuscripts written on various topics were widely distributed in the countries of Central Asia and were used as textbooks in local madrasas. Also, in favor of these words, the thematic and content features of manuscripts in the Persian language, stored in the manuscript fund of the National Library of the Republic of Kazakhstan, testify. It is also possible to say that literary, historical, philosophical, Sufi, dictionaries, manuscripts of fiqh, and various stories, and stories in the Persian language were taught in madrasahs of Central Asia and Kazakhstan even before the formation of the Soviet Union. As evidence of this, the grammar of the Arabic language, written in the Persian language, and the collection of poems by Hafiz ben Bidil, preserved in several versions in the manuscript fund of the National Library of the Republic of Kazakhstan, are considered comprehensively. The article mainly deals with the content and scientific significance of Persian manuscripts stored in the rare collection of the National Library of the Republic of Kazakhstan. During the research, Persian manuscripts were divided into three groups. The unique features of the manuscripts of each group and the problems that arise during the research have not been ignored. As much as possible, the article includes the chronology of Persian manuscripts and customers, seal, handwriting, scribes, place (city), and year of copying of these manuscripts.
THE PERSPECTIVE OF TRANSPORT ROUTES IN TÜRKIYE BASED ON THE SWOT MODEL
Authors:   AL-FARABI KAZAKH NATIONAL UNIVERSITY, Tishehyar Mandana , Shirkhan Shamimeh
Published: December 2024

Türkiye, the strategic bridge between Asia and Europe, has a unique geopolitical position that en-courages cooperation with neighboring and regional partners. The purpose of this study is to identify the key transport corridors in Türkiye using the SWOT model and evaluate the potential of these routes. The purpose of this research is to discover the current transportation and communication capacities of Tür-kiye and how they are useful for neighboring countries and Central Asia. This study examines strengths, weaknesses, opportunities, and threats to address challenges and uncover opportunities.Issues such as lack of budget, imbalance in energy transfer and political instability of neighboring countries have af-fected the country and make it face challenges.But the ports of Türkiye and the favorable geopolitical position of Türkiye, as well as the presence of extensive airline lines and important airlines company such as Turkish Airline, in this country, is a sig-nificant potential for commercial and economic growth in the transportation sector. If the challenges are resolved and attention is paid to the opportunities and privileged positions of Türkiye and the countries of Central Asia, they will be able to benefit from cooperation.
The analysis of Сhina’s agrarian reform policy
Authors:   AL-FARABI KAZAKH NATIONAL UNIVERSITY, Sharypkazy Nurtalip , Nurzhayeva Alina
Published: December 2024

China is a large agricultural country since ancient times. In China, priority has always been given to agricultural economic policy. Because China's social development is directly related to agriculture. The article provides an in-depth study of the agricultural policy of the People's Republic of China from its establishment to the present and gives a historical assessment. The agrarian reform carried out in China after the 1950s, based on the economic concept of the plan, formed a three-level production structure: Xiaodui (small production unit), Dadui (large production unit) and Renmin Gongshe (People's Commune). However, social practice has proven the fallacy of this system through bitter examples.

The purpose of the article is to analyze and study China's reforms and policies in the field of agriculture. This study is valuable not only in the theoretical aspect, which allows us to assess the evolutionary development of China in the agricultural sector, but also has great practical significance in the experience of changing the traditional agricultural sector of China. The scientific value of our article is important, since the topic has not been previously studied by domestic researchers.

To study the issues raised in the article, classical and modern methods of the humanities were used. Using the methodology of political science, the features of the policy pursued in each historical period were described; the methods of constructivism were used in the study. We also tried to deeply reveal the scientific content of our article, using the methods of analysis, synthesis, induction and deduction in the methods of scientific research that are widely used in modern times.

Previously, China imported agricultural products from foreign countries, including America. However, recent changes in world geopolitics, the escalation of the trade war between the United States and China will force China to import grain products from other countries. Judging by this situation, China has the right to show interest in importing agricultural products from neighboring Kazakhstan. Based on this, it can be assumed that cooperation and trade relations between Kazakhstan and China in the agricultural sector will continue to revive and develop.
THE PROSPECT OF JAPANESE NEW DIGITAL TECHNOLOGIES IN A SMART SOCIETY
Authors:   AL-FARABI KAZAKH NATIONAL UNIVERSITY, Kuatova Khanymai , Ashinova Zhanar
Published: December 2024

Japan, modernized in the 20th century, is a dynamically developed, promising country in the 21st century. Japan, which ranks second in economic terms after the United States, demonstrates a high level of technology. In addition, it is a country that has been able to improve its abilities and preserve its values even at the peak of the world's development, having formed several thousand stories. Rapid changes and the development of new technologies have brought changes to our society and people's daily lives. This article presents the opportunities and disadvantages of Japanese digital technologies, as well as their role in Japan's creation of a smart society. At the same time, clear points of the 5.0 Society trend were studied not only in one direction, but also in different areas. Valuable virtual assistants such as the Internet of Things, artificial intelligence and robotics are shown as an example. Japan, being the country that laid the foundation for a smart society, has worked closely with several countries based on their experience. That is, the Society 5.0 technologies are considered an indispensable force for solving problems related to aging, population decline and major natural disasters. The transition from the information society to a more intelligent Japanese society has had an impact on maintaining a balance between virtual and real life for the Japanese. They were able to accept smart society without any obstacles. In the future, this smart society in Japan will undoubtedly create a smart world for Japanese society.
ОЦЕНКА И НАПРАВЛЕНИЯ РАЗВИТИЯ ВИННО-КОНЬЯЧНОЙ ПРОМЫШЛЕННОСТИ РЕСПУБЛИКИ ДАГЕСТАН
Authors: УМАХАНОВ УМАХАН АРСЛАНОВИЧ
Published: December 2024

На основе использования метода расхождений была выведена доля занижения реальных объемов производства алкогольной продукции Республики Дагестан. Спрогнозировано сохранение недооценки реальных объемов производства в сегменте винно-коньячного производства. Этому будет способствовать необходимость поддержания рентабельности отрасли в условиях усиления конкуренции с растущим импортом винодельческой продукции и снижения возможностей экспорта для производителей. Дефицит мощностей хранения винного сырья не позволяет наращивать закупку винограда для целей дальнейшей переработки. Это снижает цены на виноград и делает его привлекательным для производства домашнего вина личными подсобными хозяйствами. Поддержку отрасли может оказать развитие винного туризма и организация кластера на территории Республики Дагестан, учитывая высокий потенциал республики в области виноградарства.
МЕТРИЧЕСКИЙ ПОДХОД К ОЦЕНКЕ ИНТЕЛЛЕКТУАЛЬНОГО ПОТЕНЦИАЛА В ОРГАНИЗАЦИЯХ ЗДРАВООХРАНЕНИЯ
Authors: МЕДВЕДЕВА ЕЛЕНА ИЛЬИНИЧНА
Published: December 2024

Целью данного исследования являлась разработка авторского подхода метрической оценки интеллектуального потенциала организаций в системе здравоохранения. Автором предложена собственная методика вычисления интегрального показателя оценки, опираясь на качественные и количественные группы индикаторов, которые предопределяют восемь выделенных компонентов: интеллектуальный, человеческий, инфраструктурный (включая имидж), информационный, инновационный, научный капиталы, нематериальные активы и интеллектуальная собственность. Объект исследования – медицинские организации. Предмет – интеллектуальный потенциал организации как перспектива развития и стратегическое повышение эффективности деятельности. На основе математического аппарата выдвинут подход к метрической оценке интеллектуального потенциала организаций, который является универсальным и адаптивным к любому набору показателей. Авторский подход имеет теоретическую и практическую ценность для исследователей, которые занимаются проблематикой оценки интеллектуального капитала и потенциала организаций, а также для менеджеров всех уровней управления для повышения эффективности организации труда и оказываемых услуг, в том числе в управлении медицинскими кадрами.
АДАПТАЦИЯ ДЕЯТЕЛЬНОСТИ ПРОМЫШЛЕННЫХ ПРЕДПРИЯТИЙ РЕСПУБЛИКИ ДАГЕСТАН К САНКЦИОННЫМ ОГРАНИЧЕНИЯМ
Authors: УМАХАНОВ ШАРАПУДИН АРСЛАНОВИЧ
Published: December 2024

Влияние санкционных ограничений на деятельность предприятий, включая их адаптацию к санкциям, неоднородно и зависит от отрасли. Наиболее уязвима к новым вызовам оказалась промышленность. В этой связи для оценки последствий и уровня адаптации бизнеса в условиях внешнего санкционного давления выбрано промышленное производство на примере Республики Дагестан. Применение эконометрического анализа и опроса системообразующих предприятий региона позволило оценить степень устойчивости промышленных предприятий к внешним шокам.