bluuebunny/crossref_metadata_2025 huggingface dataset:
Recent Advanced Biological Wastewater Treatment Technologies
Authors: Linh Thy Le , Huu Viet Nguyen , Xuan Thanh Bui
Published: June 2024

Conventional wastewater treatment approaches such as activated sludge processes often rely on energy-intensive and resource-demanding processes. However, emerging technologies offer promising solutions to improve the sustainability of wastewater management. This review examines three innovative technologies, including anaerobic membrane bioreactor (AnMBR), partial nitritation/anammox (PN/A), and microalgae-based processes, and their potential advantages over traditional methods. AnMBR combine membrane filtration with anaerobic biological treatment, enabling high-quality effluent, reduced sludge production, and a compact footprint. The PN/A is a two-step biological process that can achieve efficient nitrogen removal with lower aeration requirements. Microalgae-based systems leverage photosynthetic organisms to remove nutrients and organic matter while generating biomass for potential resource recovery. Each alternative technology has strengths and limitations that must be carefully evaluated based on the site-specific factors, such as wastewater characteristics, treatment objectives, and local conditions. Continued research and technological development is necessary to address the remaining technical and economic barriers impeding their wider adoption. Integrating multiple alternative technologies in a treatment train can help optimize overall performance by leveraging the complementary advantages of different processes. This holistic approach can advance the sustainable wastewater management, promoting resource efficiency, energy savings, and environmental protection.
Ultrasonic and Electrocoagulation Technologies in Wastewater Treatment and Material Circulation
Authors: Khai Nguyen Manh , Thi Mai Nguyen , Minh Hang Tran Thi , Van Thanh Dang , Tien Duc Pham , Trang Hoang Minh
Published: June 2024

Due to the emergence of new and persistent pollutants in wastewater, various advanced oxidation processes (AOPs) such as ultrasonic technology and electrocoagulation have been developed and employed for pollutant degradation, removal, and recovery from wastewater. In this study, we investigated the principles, influencing factors, and practical applications of several methods combining ultrasound and electrocoagulation with catalysts and demonstrated the efficiency of each method. Additionally, we analyzed the challenges associated with these ultrasonic methods and electrocoagulation in removing antibiotics and recovering pollutants from aqueous solutions and suggested solutions to these problems. Materials recovered after treatment can be utilized to improve soil quality.
Enhanced Hard Magnetic Performance for MnBi Green Powders
Authors: Nam Nguyen Hoai , Anh Vuong Kha , Tan Le Nguyen Nhut , Nam Pham Hong , Kim Oanh Vuong Thi , Trung Tran Bao , Tuan Minh Le , Van Toan Nguyen , Triet Dang Minh , Khanh Nguyen Van , Vuong Nguyen Van , Xuan Truong Nguyen
Published: June 2024

Mn55Bi45 melt - spun ribbons were prepared by using the melt-spinning technique followed by annealing in Ar/5%H2 gas mixture. The in-situ formation of ferromagnetic phase (denoted as LTP) of MnBi was observed by the multi-section cycled Differential Scanning Calorimetry (DSC) method. It was found that, the optimal annealing temperature range for forming MnBi LTP is 250 – 280 oC. The prolonging annealing time increases the content of MnBi LTP leading to the increase of saturation magnetization Ms but paid by the drop of the intrinsic coercivity iHc. The MnBi green powders were prepared by the Low Energy Ball Milling method (LEBM) in N2 liquid.  The maximum energy product of MnBi green powders is estimated about 10.8 MGOe.
Complete Convergence for Weighted Sums of Pairwise Negative Quadrant Dependent Random Variables
Authors: Manh Cuong Tran
Published: June 2024

In this work, we developed Jajte’s technique of the strong law of large numbers to the complete convergence for randomly weighted sums of pairwise negative quadrant dependent random variables.
Phenomenological Analogy between Gross-Pitaevskii Theory for Bose-Einstein Condensate and Newton Equation for Classical Mechanics
Authors: Thu Nguyen Van , Thanh Pham Duy
Published: June 2024

In this work we found an interesting analogy between Gross-Pitaevskii theory for Bose-Einstein condensate at zero temperature and Newton equation of classical particle in the classical physics. Although this analogy is a pure phenomenology, it brings a new perspective to physics in general, in particular to quantum physics, as well as to many-body physics.
Developing the Ability to Apply Chemical Knowledge for Students through Experience of “Visiting the Clean Water Supply Station”
Authors: Trang Nguyen Hoang , Trang Duong Thi Thu
Published: June 2024

The ability to apply chemical knowledge to practice is an important ability that needs to be developed for students when learning Chemistry. This research focuses on developing the ability to apply chemical knowledge to practice for high school students through experience. The evaluation of the development of the ability to apply chemical knowledge to practice for students is implemented following 10 criteria and 4 levels of expression of the ability at two different points, before and after participating in the experience. The statistic parameters such as effect size (ES) and independent t-test have been determined in order to verify the effectiveness of the pedagogical experiment. The research results show that, after the experiment, the average scores of evaluation criteria of students’ ability to apply chemical knowledge to practice are higher than that at the time before the experiment. The ES and independent t-test parameters also show the change before and after the experiment is affected by the experimental methods. Thus, the ability to apply chemical knowledge to practice of students is initially improved through experience.
Exploring Natural Medicinal Plants for Novel Bcl-2 Inhibitors: In Silico Drug Design and Computational Interaction Mechanism for Anti-Cancer Activity
Authors: AL-SHUAEEB Riyadh Ahmed Atto , Abbas Ali Hussein , Tawfeeq Mustafa Fayez , Abood Sattar Jabir
Published: June 2024

The disturbance of typical cellular programmed cell death, known as apoptosis, constitutes a distinctive feature across all categories of malignancies. This maladjustment of apoptosis has the potential to result in diverse pathological states such as cancer, autoimmune illnesses, and neurodegenerative disorders. The regulation of apoptosis hinges upon proteins affiliated with the BcL-2 family, which possess the capacity to either foster or impede this progression. The exaggerated expression of anti-apoptotic proteins (Bcl-2, Bcl-xL, and Mcl-1) has been linked to the sustenance, proliferation, and advancement of tumors. Lately, there has been a surge of interest in investigating small compounds and peptides that possess the ability to bind to the BH3 binding pocket of these proteins, as they exhibit promising potential as agents against cancer. Initially, the primary emphasis in the development of anti-cancer agents targeting this protein family was centered on suppressing Bcl-2. However, the precise mechanisms of drugs specific to Bcl-2 and their impacts have not been fully clarified through computational approaches. By conducting a molecular docking analysis against the Bcl-2 protein (PDB ID: 4LVT), out of the 8450 phytomolecules, 6742 compounds were effectively docked with Bcl-2, displaying docking scores ranging from -7.22 kcal/mol to +5.54 kcal/mol. Further investigation employing structure-based molecular docking (SB-MD) and ADMET (absorption, distribution, metabolism, excretion, and toxicity) profile analysis led to the identification of several plant-derived compounds, such as “Norepinephrine, Australine, Calystegine B, 7,7 A-Diepialexine, and Alpha-Methylnoradrenaline” which exhibited strong binding to the active site residues of Bcl-2. In summary, these phytocompounds show promise as potential molecules against the Bcl-2 protein (4LVT) and warrant further validation through “in vitro and in vivo” experiments.
Detection of Biofilm Producing Bacteria causing Co-infections with Leishmania Ulcers and their Relation with Matrix metalloproteinase-13 Enzyme
Authors: Dhari Abrar Kareem , Abed Suha Maher , Abed Ali Mohammed
Published: June 2024

Background: Protozoan parasite causes Cutaneous Leishmaniosis (CL), dermatological disorder. Infected female phlebotomus sand flies spread these parasites. Secondary bacterial infection can worsen tissue damage and scarring.
Objectives: In order to accurately ascertain the incidence of secondary bacterial  infection caused biofilm formation in cutaneous leishmaniosis, it is imperative to investigate the significant immunological alterations by quantifying the levels of human Matrix metalloproteinase -13 (MMP-13). 
Materials and Methods: This study included 90 samples (20 controls and 70 CL sufferers). Study participants ranged in age from 3 months to 65 years, including both genders. Human Matrix metalloproteinase -13 measured by ELISA technique. Ulcer exudates were collected with sterile swabs after non-ulcerated lesions scraped. The specimens were cultured on Blood Agar, MacConkey Agar, Mannitol Salt Agar,and Hi Chrom Acinito. Laboratory methods were identified biofilm producing microorganisms.
Results: Biofilms- forming secondary bacterial infections were found in 30 (42.8%) of 70 cutaneous Leishmaniosis patients. Bacterial from lesions  Acinetobacter baumanni (8) cases (26.6 %), Acinetobacter lwoffi, Crobactor, Klebsiella, Proteus mirabilis, Proteus vulgaris, Pseudomonas Luteola, Raoultella, Serratia, Sphingo, (1) cases (3.3 %) for each spp. Pantoea (2) cases (6.6 %), Pseudomonas fluorescence (3) cases (10 %), and the study found no differences in MMP-13 levels in CL patients (5.7 + 0.2) compared to the control group.
Conclusions: This study observed no differences in the average concentration in level of MMP-13 patient with CL compared with control groups.
The Lived Experiences and Meaning of Being a Student with Physical Disabilities at an Open Distance Learning University
Authors: Matjila Tonny , Dhlomo-Sibiya Rosemond M
Published: June 2024

Open distance learning (ODL) has emerged as a viable alternative to traditional classroom-based education, offering flexibility and accessibility to diverse learners. However, the experiences of students with physical disabilities in ODL environments remain understudied. This qualitative study explored the lived experiences of students with physical disabilities as they navigate the challenges and opportunities presented by ODL at a large university. Through semi-structured interviews with 15 students with physical disabilities, this study delved into their unique perspectives, coping strategies, and support systems. Thematic analysis of the interview data reveals several key themes, including the importance of accessibility, the role of assistive technologies, the need for inclusive course design, and the significance of peer and instructor support. The findings highlight the resilience and determination of these students as they overcome barriers to their education. However, the study also uncovered areas where ODL institutions could improve their practices to accommodate and support students with physical disabilities better. By shedding light on the lived experiences of this often-overlooked group of learners, this study contributes to the growing body of knowledge on inclusive education in ODL contexts. The insights gained from this research can inform the development of more accessible and equitable ODL environments, ultimately benefiting all students, regardless of their abilities.
Investigating the crystallite morphologies and aggregation in boehmite powders: a combined analysis of two- and three-dimensional electron microscopy with X-ray diffraction
Authors: Sudheer Nivedita , Rouchon Virgile , Ihiawakrim Dris , Lefebvre Christophe , Levitz Pierre , Lecolier Eric , Rabu Pierre , Ersen Ovidiu
Published: June 2024

Boehmite (AlOOH) is considered as an important precursor for γ-Al2O3, which when calcinated undergoes topotactic transformation to form the latter. Alumina has extensive applications in fields such as catalysis, abrasives, and cosmetics among others. Boehmite falls under the category of hierarchical structures whose structural and textural properties are a result of its compositional and porous hierarchy. Although research has been carried out extensively to understand the complete representation of its structure, a true morphological model is an important key to understanding and fully explaining its transport properties during catalytic processes. 3D electron microscopy helps us to dive deeper into the different hierarchical entities of boehmite, bridging the gaps between the models and assumptions made using some more traditional characterization techniques. We present here a deep insight into the structural and morphological parameters of several commercial boehmites using 3D transmission electron microscopy. Through the extraction of quantitative descriptors pertaining to hierarchical entities and subsequent comparison with bulk analyses, precise and comprehensive information regarding these microstructures can be obtained. The results of our study indicate that boehmite grades, which appear to be identical in terms of their grades, display discrepancies in the uniformity of particle sizes. Moreover, diverse platelet interactions result in varying types of pores in these grades. Furthermore, it has been observed that the interfacial interactions among various crystallographic planes exhibit variations across different specimens, thereby contributing to the distinctive compositions within the aggregates. The variation in aggregates of different boehmite grades is also reflected in the combination of four distinct quantified morphologies.
FINANCIAMENTO DO DIREITO FUNDAMENTAL À EDUCAÇÃO
Authors: Schneider Rodrigues Ricardo
Published: June 2024

Nesta pesquisa é analisada a mudança na forma de financiamento da educação no Brasil, pela adoção do Novo Regime Fiscal, delineado na EC nº 95/2016, a partir da concepção política de pessoa adotada na Teoria de Justiça de John Rawls e da ideia do direito à educação básica como elemento constitucional essencial. São utilizados o método dedutivo de abordagem e a pesquisa de natureza teórica, destacando os aspectos centrais da teoria de Rawls a partir de seus principais textos e de fontes secundárias (pesquisa bibliográfica). Para Rawls, há um princípio anterior ao primeiro princípio que impõe a satisfação das necessidades básicas dos cidadãos, ao menos para que possam exercer de forma efetiva seus direitos e liberdades fundamentais, o que seria um elemento constitucional essencial. Nessa perspectiva, a educação básica deve ser prestada pelo Estado para permitir a atuação do cidadão com base em sua concepção política, que requer sua participação como membro pleno de uma sociedade cooperativa. Ter a educação básica é pressuposto para ser cidadão, na concepção política de Rawls. A partir da sua teoria é possível defender a inviabilidade de se reduzir a proteção do direito, em nível constitucional, à educação básica, em relação ao aspecto da vinculação de recursos financeiros, antes de se alcançar a universalização do ensino básico de qualidade para toda a sociedade.
Dinapenia em mulheres com diabetes mellitus tipo 2
Authors: Araújo Amanda de Azevedo , Silva Nathalia Karolyne De Andrade , Barbosa Maria Suzane da Silva , Albuquerque Silva Paola Frassinette de Oliveira , Oliveira Juliana Souza , Leal Vanessa Sá , Lemos Maria da Conceição Chaves de , Arruda Ilma Kruze Grande de
Published: June 2024

Objetivo: Estimar a ocorrência e os fatores associados à dinapenia em mulheres adultas e idosas com diabetes mellitus tipo 2. Métodos: Estudo transversal realizado no ambulatório de endocrinologia de um hospital do Recife, entre julho/2022 e fevereiro/2023. Dinapenia foi definida quando a força de preensão palmar foi menor que 16 kg. Características sociodemográficas, clínicas, antropométricas, composição corporal e bioquímicas foram coletadas para determinar os fatores associados à dinapenia, por meio de análises bivariadas e regressão de Poisson robusta. Os dados foram analisados pelo software SPSS Statistics e o estudo foi aprovado pelo Comitê de ética em pesquisa.  Resultados: Foram analisados os dados de 164 mulheres com idade média de 60,04 ± 9,02 anos. Identificou-se que 20,1% apresentavam dinapenia, e após análise de regressão, esta condição associou-se à baixa escolaridade (p=0,001), raça/cor branca (p=0,008), excesso de peso (p=0,015) e massa muscular reduzida (p<0,001). Conclusão: Observou-se neste estudo ocorrência elevada de dinapenia associada a diversos fatores de ordem sociodemográficas, antropométrica e de composição corporal. Estes resultados destacam a importância da avaliação desta condição com o objetivo de minimizar os efeitos adversos à saúde que a dinapenia pode causar nesta população.
Aspekty kulturowe, naukowe oraz filozoficzne w twórczości Stanisława Lema
Authors: Brzostowicz Aleksandra
Published: June 2024

Celem niniejszego tekstu jest wskazanie na złożoność twórczości Stanisława Lema i przedstawienie jej z trzech perspektyw: kulturowej, naukowej oraz filozoficznej. Lem jest powszechnie kojarzony ze swoim wkładem w kulturę, także zagraniczną, jego książki o tematyce science fiction są bowiem powszechnie znane na całym świecie. Niemniej, nie można zapominać, że był on również naukowcem, a w swojej działalności wielokrotnie odwoływał się do problemów cywilizacyjnych. Poświęcał także wiele uwagi antropologii oraz związanej z nią etyce. Ponadto poddawał zdecydowanej krytyce postmodernistyczną sztukę, którą uważał za niezrozumiałą, a od niektórych jej przejawów nawet zdecydowanie się odcinał. Działalność Lema można również rozpatrywać w kontekście filozoficznym, w jego najsłynniejszej książce Solaris znaleźć można wiele odwołań do filozofii, szczególnie do jej gałęzi dotyczącej poznania, ponieważ w tekście uwidoczniony został potencjalny problem kontaktu człowieka z istotą pozaziemską oraz związany z tym pogląd o niemożności poznania w oderwaniu od języka. Ukazanie sylwetki Lema z różnych perspektyw umożliwia lepsze zrozumienie jego działalności, która nie opierała się jedynie na tworzeniu przyjemnych w odbiorze powieści science fiction, ale wiązała się z głęboką refleksją na gruncie kulturowym, naukowym oraz filozoficznym.
Profesjonalizacja polskiej służby cywilnej po akcesji do Unii Europejskiej
Authors: Bielecka Małgorzata
Published: June 2024

W artykule podjęto rozważania dotyczące europeizacji polskiej służby cywilnej po akcesji do Unii Europejskiej. Autorka stara się wykazać, że wraz akcesją Polski w struktury europejskie służba cywilna przejęła wiele zasad i wartości z poziomu europejskiego. Wartości owe w postaci hard law, jak i soft law wdrożono do krajowego porządku prawnego.
Boarding school as an institute for the socialization of minors of the indigenous minorities of the North
Authors: Юмшанов Н.Н. , Николаев Е.В.
Published: June 2024

В статье рассматриваются особенности социализации несовершеннолетних представителей из числа коренных малочисленных народностей Севера; раскрываются возможности школы-интерната как одного из институтов социализации детей и подростков малых народностей, представлены социальный состав воспитанников интерната и модель социализации, используемая в конкретной школе-интернате города Нерюнгри Республики Саха (Якутия). В современном обществе вопрос социализации несовершеннолетних из коренных малочисленных народностей Севера приобретает особую актуальность. Школа-интернат, как один из ключевых институтов, играет важную роль в этом процессе. Статья подробно рассматривает механизмы влияния школ-интернатов на процесс социализации подростков, принадлежащих к коренным малочисленным народностям Севера, а также выявляет проблемы и перспективы их развития в современных условиях. Авторы анализируют, как образовательная среда школы-интерната способствует адаптации учащихся к социальной среде, формирует их личностные качества и подготавливает к жизни в современном мире. Особое внимание уделяется вопросам сохранения культурной идентичности учащихся, включая язык, традиции и обычаи коренных народов.

The article discusses the features of the socialization of minors from among the indigenous small-numbered peoples of the North; it reveals the possibilities of the boarding school as one of the institutions of socialization for children and adolescents of small peoples, presents the social composition of the boarding school's wards and the model of socialization used in a specific boarding school in the city of Neryungri, Republic of Sakha (Yakutia). In modern society, the issue of socialization of minors from indigenous small-numbered peoples of the North acquires special relevance. The boarding school, as one of the key institutions, plays an important role in this process. The article examines in detail the mechanisms of the influence of boarding schools on the process of socialization of adolescents belonging to the indigenous small-numbered peoples of the North, as well as identifies the problems and prospects of their development in contemporary conditions. The authors analyze how the educational environment of the boarding school facilitates the adaptation of students to the social environment, forms their personal qualities, and prepares them for life in the modern world. Special attention is given to the issues of preserving the cultural identity of students, including language, traditions, and customs of the indigenous peoples.
Structure and content of the system of physical training of employees of the internal affairs bodies of Russia
Authors: Чехранов Ю.В.
Published: June 2024

В статье рассмотрены вопросы отечественной системы физической подготовки сотрудников органов внутренних дел: ее истории, структуры и содержания, имеющихся ранее и существующих в настоящее время. Сформулированы выводы и представлены предложения, направленные на совершенствование существующей системы физической подготовки сотрудников. Авторы анализируют существующую систему подготовки, выделяя её ключевые компоненты и методики, которые используются для повышения эффективности служебной деятельности и обеспечения личной безопасности сотрудников. Особое внимание уделяется адаптации физических нагрузок в соответствии с возрастными и профессиональными особенностями персонала. Приводятся примеры учебно-методических комплексов, программ тренировок и методов контроля за физическим состоянием сотрудников.

The article examines issues of the domestic system of physical training for internal affairs agency employees: its history, structure, and content, previously existing and currently in place. Conclusions are formulated, and suggestions aimed at improving the existing system of physical training for employees are presented. The authors analyze the current training system, identifying its key components and techniques used to enhance the efficiency of official duties and ensure the personal safety of employees. Special attention is given to adapting physical loads in accordance with the age and professional characteristics of the staff. Examples of educational-methodological complexes, training programs, and methods for monitoring the physical condition of employees are provided.
Methodological aspects of teaching social disciplines in the era of digitalization of education
Authors: Балабан А.И.
Published: June 2024

В статье рассматривается понятие «цифровая компетентность», которое обозначает совокупность различных способностей человека в рамках цифровых технологий и степень готовности пользоваться указанными способностями в личных и профессиональных целях, а также иных способностей. Ввиду внедрения цифровых технологий в жизнь человека возникает необходимость в цифровизации общества. По этой причине в статье были рассмотрены методические аспекты преподавания общественных дисциплин в эпоху цифровизации образования. В данной статье собраны во едино формы деятельности по формированию цифровой компетенции, методы для реализации данных форм, ресурсы для их достижения и формы оценки цифровой компетенции.

The article discusses the concept of «digital competence», which denotes the totality of various human abilities within the framework of digital technologies and the degree of readiness to use these abilities for personal and professional purposes, as well as other abilities. Due to the introduction of digital technologies into human life, there is a need for digitalization of society. For this reason, the article examined the methodological aspects of teaching social disciplines in the era of digitalization of education. This article brings together forms of activities to develop digital competence, methods for implementing these forms, resources for achieving them and forms for assessing digital competence.
Investigation of the candidate's metaprogram profile for confidential cooperation in the ORD
Authors: Зуйкова А.А.
Published: June 2024

В статье рассматривается механизм получения первого впечатления при контакте оперативного сотрудника с лицом, представляющим интерес для конфиденциального сотрудничества со следствием. Для грамотного составления психологического портрета объекта, представляющего оперативный интерес, необходимо понимать алгоритмы внутренних познавательных процессов, искажающих восприятие того или иного объекта. Отказавших от стереотипных шаблонных механизмов восприятия, улучшается качество получаемой информации об изучаемом объекте. При этом первый этап получения информации и составление психологического портрета является подготовительным, для более глубокого изучения структуры личности необходимо составление метапрограммного профиля. Такая работа является вторым этапом и одним из способов психологического изучения кандидата для конфиденциального сотрудничества. В деятельности конфиденциального сотрудника есть свои специфические особенности, оперативный сотрудник, раскрывая основные базовые фильтры, имеет возможность прогнозировать, насколько эффективно выбранный кандидат сможет справиться с поставленной оперативной задачей.

The article discusses the mechanism of obtaining a first impression. To correctly draw up a psychological portrait of an object of operational interest, it is necessary to understand the algorithms of internal cognitive processes that distort the perception of an object. Having abandoned the stereotypical template mechanisms of perception, the quality of the information received about the studied object improves. The first stage of obtaining information and drawing up a psychological portrait is preparatory, for a deeper study of the personality structure. The second stage is the compilation of a metaprogram profile, as one of the ways to psychologically study a candidate for confidential cooperation. The activities of a confidential employee have their own specific features, an operational employee, a disclosure
Analysis of the effectiveness of combining traditional techniques and advanced innovative technologies in teaching violin playing to primary school children in China
Authors: Юецяо Л.
Published: June 2024

В настоящее время в Китайской Народной Республике наблюдается интенсивная работа по совершенствованию методических подходов к обучению младших школьников игре на струнных смычковых инструментах. В данной статье предпринята попытка всестороннего рассмотрения результативности сочетания традиционных приемов обучения скрипичной игре с современными инновационными технологиями, в частности цифровыми. В работе использованы данные мониторинговых исследований, проведенных в 2018-2020 годах в 4 школах искусств городов Пекин, Шанхай, Гуанчжоу и Сиань (всего 512 учащихся в возрасте 8-11 лет). Оценивались результаты обучения по традиционной и интегрированной методикам. Исследование позволило сделать вывод о том, что по сравнению с традиционной системой обучения, сочетание классических приемов с цифровыми инструментами и онлайн-курсами позволило добиться более высоких показателей освоения техники игры, мотивации к занятиям, а также существенно сократить время достижения контрольных рубежей владения инструментом (Ли, 2017).

Currently, intensive work is being carried out in the People's Republic of China to improve methodological approaches to teaching younger schoolchildren to play stringed bowed instruments. This article attempts to comprehensively consider the effectiveness of combining traditional methods of teaching violin playing with modern innovative technologies, in particular digital ones. The work uses data from monitoring studies conducted in 2018-2020 in 4 art schools in Beijing, Shanghai, Guangzhou and Xi'an (a total of 512 students aged 8-11 years). The results of training according to traditional and integrated methods were evaluated. The study led to the conclusion that, compared with the traditional training system, the combination of classical techniques with digital tools and online courses made it possible to achieve higher rates of mastering the technique of the game, motivation for classes, as well as significantly reduce the time to reach the milestones of instrument proficiency.
Engineering Cryptand-like Coordination Sites in Multisite Metal Acyl-Organic Cages for Specific Recognition and Deep Purification of Radioactive Strontium(II)
Authors: Jin Wei , Wu Qun-yan , Lou Yan , Huang Zhi-wei , Liu Feng , Hu Bo-wen , Yu Ji-Pan , Hu Kong-Qiu , Yuan Li-yong , Mei Lei , Shi Wei-Qun
Published: June 2024

Tailored design of organic linkers or metal nodes can implant desirable binding sites in metal-organic cages (MOCs), expanding the types of guests they can encapsulate. In this work, we propose a feasible method of engineering acyl-type metal nodes to endow MOCs with selective recognition ability towards metal ions without compromising structural robustness, and a novel uranyl-sealed multisite metal supramolecular cage (UOC) is synthesized as a prototype compound. In UOC, peroxide-bridged dimeric uranyl units create a well-defined cryptand-like cavity as a recognition site for efficient encapsulation of Sr2+ through precise size-matching effect. Bonding analysis of Sr@UOC reveals significant electrostatic interaction and orbital overlap between Sr 4d and O 2p, explaining the high binding strength. Hydrophobic cavities at both ends of UOC allow further co-inclusion of organic guests, facilitating the co-encapsulation of two different types of guest species. Inspired by UOC's strong binding affinity for Sr2+, it is employed as absorbents to capture low concentrations of Sr2+ in aqueous solutions. A removal rate of 99.9% for Sr2+ ions at an initial concentration as low as 0.01 mM is achieved, with a record high distribution coefficient (Kd) of 1.36×107 mL/g, demonstrating UOC’s potential for deep purification of trace amounts of radioactive 90Sr2+.
Near-IR Emissive B-N Lewis Pair-Functionalized Anthracenes via Selective LUMO Delocalization in Extended Conjugated Dimer and Polymer
Authors: Zuo Jingyao , Liu Kanglei , Harrell Jaren , Fang Lujia , Piotrowiak Piotr , Shimoyama Daisuke , Lalancette Roger , Jaekle Frieder
Published: June 2024

Acenes are attractive as building blocks for low gap organic materials with applications, for example, in organic light emitting diodes, solar cells, bioimaging and diagnostics. Previously, we have shown that modification of dipyridylanthracene via B-N Lewis pair fusion (BDPA) strongly redshifts the emission, while facilitating self-sensitized reactivity toward O2 to reversibly generate the corresponding endoperoxides. Herein, we report on the further expansion of the pi-system of BDPA to a vinyl-substituted monomer, vinylene-bridged dimer, and a polymer with an average of 20 chromophores. The extension of -conjugation results in largely reduced band gaps of 1.8 eV for the dimer and 1.7 eV for the polymer, the latter giving rise to NIR emission with a maximum at 731 nm and an appreciable quantum yield of 7%. Electrochemical and computational studies reveal efficient delocalization of the lowest unoccupied molecular orbital (LUMO) along the pyridyl-anthracene-pyridyl axis, which results in effective electronic communication between BDPA units, selectively lowers the LUMO, and ultimately narrows the band gap. Time-resolved emission and transient absorption (TA) measurements offer insights into the pertinent photophysical processes. Extension of pi-conjugation also slows down the self-sensitized formation of endoperoxides, while significantly accelerating the thermal release of singlet oxygen to regenerate the parent acenes.
In Silico Prediction of the Biodegradability of Chlorinated Com-pounds: Application of Quantitative Structure-Biodegradability Relationship Approach
Authors: Erickson Meade , Vasyutyn Denys , Ngongang Marvellous , Daghighi Amirreza , Szwiec Stephen , Casañola-Martin Gerardo , Rasulev Bakhtiyor
Published: June 2024

Chlorinated compounds are generally known to be non-readily biodegradable. The insight into the structural features that allow chlorinated compounds to readily biodegrade is crucial information that needs to be unveiled. Combined in silico modeling and machine learning approach to predict desirable compound properties has proven to be an effective tool, enabling chemists to save time and resources compared to web lab experimentation. Here we present two machine learning-based quantitative structure – biodegradability relationship (QSBR) models, one for predicting biodegradability values of chlorinated compounds, and the other one for classifying chlorinated compounds as biodegradable or non-biodegradable. The regression models were generated using the Support Vector Regression (SVR) machine learning method. The optimal regression model was a 10 descriptor SVR model with R2 = 0.925 and R2test = 0.881. The optimal classification model was a logistic regression classifier model with 5 descriptors. It has a Matthew’s Correlation Coefficient of 0.59 for training and 0.55 for test, as well as accuracy of 0.79 for training set, 0.77 for test set. For validation purposes the models were tested on an external data set of chlorinated compounds. In addition, models were further applied to an external test set of monomeric units representing polymers to assess the capability of the model to estimate the biodegradability of polymers, where the models showed statistical robustness. The developed SVR model could be used for accurate prediction of biodegradability of various organic molecules, as well as materials based on organic compounds. The analysis of the influence of descriptors on biodegradability is performed. The classification model showed that the biodegradability of chlorinated compounds is heavily correlated with descriptors that relate to electrotopological descriptors, position of oxygen relative to chlorine.
An Automated Electrochemistry Platform for Studying pH-dependent Molecular Electrocatalysis
Authors: Pence Michael , Hazen Gavin , Rodríguez-López Joaquín
Published: June 2024

Comprehensive studies of molecular electrocatalysis require tedious titration-type experiments that slow down manual experimentation. We present elab as an automated electrochemical platform designed for molecular electrochemistry that uses opensource software to modularly interconnect various commercial instruments, enabling users to chain together multiple instruments for complex electrochemical operations. We benchmarked the solution handling performance of our platform through gravimetric calibration, acid-base titrations, and voltammetric diffusion coefficient measurements. We then used the platform to explore the TEMPO-catalyzed electrooxidation of alcohols, demonstrating our platforms capabilities for pH-dependent molecular electrocatalysis. We performed combined acid-base titrations and cyclic voltammetry on six different alcohol substrates, collecting 684 voltammograms with 171 different solution conditions over the course of 16 hours, demonstrating high throughput in an unsupervised experiment. The high versatility, transferability, and ease of implementation of elab promises the rapid discovery and characterization of pH-dependent processes, including mediated electrocatalysis for energy conversion, fuel valorization, and bioelectrochemical sensing, among many applications.
Development of fine-tuned top-down mass spectrometry strategies in the chromatographic time scale (LC-TD-MS) for the complete characterization of an anti EGFR single domain antibody-drug conjugate (sdADC)
Authors: Benazza Rania , Papadakos Greg , Thom Jen , Diemer Hélène , Cotton Graham , Cianférani Sarah , Hernandez Alba Oscar
Published: June 2024

Even though mAbs have attracted the biggest interest in the development of therapeutic proteins, next generation of therapeutics such as single-domain antibodies (sdAb) are propelling an increasing attention as new alternatives with appealing applications in different clinical areas. These constructs are small therapeutic proteins formed by a variable domain of the heavy chain of an antibody with multiple therapeutic and production benefits compared to their mAb counterparts. These proteins can be subjected to different bioconjugation processes to form single-domain antibody-drug conjugates (sdADC) and hence increase their therapeutic potency, and, akin to other therapeutic proteins, nanobodies and related products require dedicated analytical strategies to fully characterize their primary structure prior to their release to the market. In this study we report for the first time on the complete sequence characterization of a conjugated anti-EGFR 15 kDa sdADC by using cutting-edge top-down mass spectrometry strategies in combination with liquid chromatography (LC-TD-MS). Mass analysis revealed a highly homogeneous sample with one conjugated molecule. Subsequently, the reduced sdADC was submitted to different fragmentation techniques namely higher-energy collisional dissociation (HCD), electron-transfer dissociation (ETD), and ultraviolet photo-dissociation (UVPD) allowing to unambiguously asses the conjugation site with 16 diagnostic fragment ions and more than 85% of global sequence coverage. The sequence coverage of the non-reduced protein was significantly lower (around 33%), however the thorough analysis of the fragmentation spectra and the inclusion of the internal fragments corroborated the presence of the intra-molecular disulfide bridge along with the localization of the conjugation site. Altogether, our results pinpoint the complementary of the different fragmentation techniques to provide a thorough analytical characterization of sdAbs-formats even in the chromatographic time-scale, which allows a high-throughput and streamlined analysis of this kind of therapeutic proteins facilitating the implementation on dedicated R&D laboratories.
Photoelectrocatalytic System as a Reaction Platform for Selective Radical–Radical Coupling
Authors: Won Sunghwan , Park Dongmin , Jung Yousung , Kim Hyunwoo , Chung Taek Dong
Published: June 2024

The selection of electrode material is a critical factor that determines the selectivity of electrochemical organic reactions. However, the fundamental principles governing this relationship are still largely unexplored. Herein, we demonstrate a photoelectrocatalytic (PEC) system as a promising reaction platform for the selective radical–radical coupling reaction owing to the inherent charge-transfer properties of photoelectrocatalysis. As a model reaction, the radical trifluoromethylation of arenes is shown on hematite photoanodes without employing molecular catalysts. The PEC platform exhibited superior mono- to bis-trifluoromethylated product selectivity compared to conventional electrochemical methods utilizing conducting anodes. Electrochemical and density functional theory (DFT) computational studies revealed that controlling the kinetics of anodic oxidation of aromatic substrates is essential for increasing reaction selectivity. Only the PEC configuration could generate sufficiently high-energy charge carriers with controlled kinetics due to the generation of photovoltage and charge-carrier recombination, which are characteristic features of semiconductor photoelectrodes. This study opens a novel approach towards selective electrochemical organic reactions through understanding the intrinsic physicochemical properties of semiconducting materials.
Modifikasi Peraturan Permainan Futsal Untuk Komunitas Tuli Di Yogyakarta
Authors: Muhammad Irfan Fathoni  , Antonius Tri Wibowo  , Arif Yusuf Wicaksana
Published: June 2024

Penelitian ini bertujuan untuk mengetahui efektifitas peraturan khusus futsal yang dapat dijalankan oleh pemain futsal tuli. Pemain futsal tuli masih mengalami kesulitan dalam bermain futsal terutama dalam peraturannya. Salah satunya adalah instruksi wasit karena selama ini wasit yang memimpin pertandingan adalah wasit normal yang kurang memahami bahasa isyarat seperti isyarat pelanggaran, isyarat permainan dihentikan dan isyarat lain dalam peraturan futsal. Penelitian pengembangan ini mengacu penilaian kelayakan suatu media berdasarkan analisis skoring kelayakan produk. Populasi dalam penelitian ini adalah 25 pemain futsal tuli dalam uji coba produk skala kecil maupun skala besar. Semua responden yang terlibat akan menilai produk modul modifikasi peraturan futsal khusus tuli menggunakan skala Likert untuk menilai kelayakan media yang telah disusun. Hasil skoring oleh ahli materi untuk produk berdasarkan hasil konversi penilaian adalah “Sangat Baik” untuk dikembangkan menjadi produk akhir. Untuk hasil penelitian modul prototype ini mendapatkan rerata skor semua uji sebesar 35,80 yang artinya klasifikasi “Sangat Baik”. Untuk uji coba skala kecil hasil skoring oleh responden pemain futsal tuli terhadap produk yang dikembangkan mendapatkan kualifikasi “Sangat Baik” sebanyak 8 orang, dan “Baik” sebanyak 2 orang. Sedangkan untuk uji coba skala besar penilaian responden pemain futsal tuli terhadap produk yang dikembangkan mendapatkan kualifikasi “Sangat Baik” sebanyak 12 orang, dan kualifikasi “Baik” sebanyak 3 orang. Berdasarkan hasil tersebut maka produk modul modifikasi peraturan permainan futsal khusus untuk pemain futsal tuli dapat dikembangkan dan disosialisasikan lebih luas kepada komisi wasit maupun kepada komunitas futsal khusus tuli.
Evaluation the Efficacy of NB-UVB Treatment Alone in Comparison with Combination Therapy of NB-UVB and Oral Prednisolone in Treatment of Vitiligo
Authors:   College of Medicine, University of Diyala, Diyala, Iraq, Abdullah Khamees Mohammed Al-Sammarraie Yasir
Published: June 2024

Background: The treatment landscape for vitiligo has witnessed diverse approaches yielding variable outcomes. Objective: To discern the optimal approach in terms of both tolerability and efficacy by comparing Narrow Band Ultraviolet B (NB-UVB) phototherapy with adjunctive oral mini pulse (OMP) prednisolone tablets. Patients and Methods: A total of eighty-seven individuals with progressive vitiligo were enrolled in a one-year study, with participants allocated randomly across three study groups through a continuous selection method. Group 1 received a combination of NB-UVB and OMP prednisolone tablets, group 2 underwent NB-UVB treatment only, and group 3 received OMP prednisolone tablets alone. Clinical assessments were conducted at three- and six-month intervals, and statistical analyses were performed utilizing descriptive and bivariate techniques, including the chi-square test, to gauge the significance of differences between the various groups. Results: In Group 1 (NB-UVB + OMP), substantial improvement was observed in 41.4%, accompanied by moderate improvement in 44.8% of patients. Group 2 (NB-UVB) demonstrated marked improvement in 31.0% and moderate improvement in 38.0%. In Group 3 (OMP), a lower proportion experienced marked (13.8%) or moderate (3.4%) improvement. Chi-square test findings indicated that the combination of NB-UVB and OMP correlated significantly with marked and moderate improvement in contrast to OMP alone, with respective values of χ² = 6.434 (p = 0.001) and χ² = 7.831 (p = 0.015) after a six-month follow-up. Conclusion: Through a comprehensive evaluation of three treatment modalities in vitiligo patients, it was established that the sole application of oral mini pulse steroids (OMP) held an adjunctive value, lacking substantial efficacy on its own. Remarkably, the amalgamation of Narrow Band UVB and OMP presented a clear advantage over either treatment administered independently. Keywords: Vitiligo, NB-UVB, OMP, Prednisolone.
The effect of gender and site on the condylar head measurements in Diyala
Authors:   Department of Anatomy, College of Medicine, University of Diyala, Diyala, Iraq, Mahdi Idan Hayder
Published: June 2024

Background: The condylar process of mandible is an ellipsoid hard tissue (bony structure) with a thin neckline that joins to the mandibular ramus. The condylar processes are a critical anatomic component of the mandible that development of mandibular bone is attributed in the sagittal and vertical directions by condylar process. Objective: To radiographical assessment of condylar head measurements according to gender and site by uses cone beam computed tomography. Patients and Methods: The study samples consisted of sixty-five individuals (19 male and 46 female) with age range from (20-50) years old. Width of condylar head, length of condylar head and condylar head height were measured in the study by using cone beam computed tomography from radiology archive in specialist dental center in Diyala. Results: The results show condylar head width, condylar head height and condylar head length in sides (right and left), males have noted higher mean value than females. The results show condylar head width and condylar head length in left side, have recorded higher mean value than right side. While, condylar head height in left side, have recorded lower mean value than right side. Conclusion: Condylar dimensions and sizes may be associated with gender and site. Males have higher condylar dimensions and sizes than females. Keywords: Condylar head, cone beam computed tomography.
Correlation Between the Thyroid Imaging Reporting and Data System and Bethesda System of Cytology in Thyroid Nodule Evaluation
Authors: Omer Bahabara, Jamal , Salem Basabaa, Ahmed , Mohammed Bin Thalab, Abeer , Yeslam Baothman, Sameer , Khamis Alakbary, Mohammed , Salim Musiaan Nabeel
Published: June 2024

Background: Accurate diagnosis of thyroid nodules is important for avoiding unnecessary surgeries and allowing timely treatment. Ultrasound and fine needle aspiration cytology (FNAC) are the most commonly used diagnostic procedures.
Objective: To correlate ultrasonography with the FNAC report findings using the American College of Radiology Thyroid Imaging Reporting and Data System (ACR TI-RADS) and the Bethesda System for Reporting Thyroid Cytopathology (TBSRTC) in differentiating malignant from benign thyroid nodules.
Patients and Methods: A prospective study conducted from January 2021 to January 2024 assessed 103 cases of thyroid nodules who underwent ultrasound examination and fine needle aspiration. Ultrasonography findings were analyzed and correlated with FNA cytology reports based on ACR-TIRADS and BSRTC.
Results: Patients were predominantly female, n = 87 (84.4%). Most of the patients were in the 31–40 year group (n = 55, 53.39%). Most of the patient nodules had TIRADS 3 (n = 59, 57.28%), followed by TIRADS 2 (n = 20, 18.44%). When comparing the ACR TI-RADS scoring system with the TBSRTC, the percentage of malignancy for TR1, 2, 3, 4, and 5 was 0, 0, 1.6, 80, and 89%, respectively. In our study, the overall sensitivity and specificity of the TIRADS score were 94.11% and 96.51%, respectively. PPV: 84.21%; NPV: 98.80%; and accuracy: 96.11%. In addition, there was a significant association between TIRADS and the Bethesda system of classification (P < 0.001).
Conclusion: ACR-TIRADS scoring is highly sensitive and accurate for diagnosing thyroid malignant nodules. It is a sensitive tool and could be used alone to determine the nature of thyroid nodules.