bluuebunny/crossref_metadata_2025 huggingface dataset:
The role of the energy factor in the formation and development of the EAEU
Authors: Ueldanov Salavat Raisovich
Published: April 2024

The article analyzes the role of the energy factor in the formation of the Eurasian Economic Union (EAEU), as well as its impact on the dynamics of modern integration processes. The author also considers a number of processes and phenomena as an energy factor, such as the degree of resource security of states, the level of infrastructural development of their fuel and energy complexes (including technological, logistical and information infrastructure), interstate interaction in order to implement energy policy and ensure energy security. Based on the analysis of the historical prerequisites for the formation of the EAEU, it is concluded that energy was one of the key areas of common economic interests at the stage of the Union's inception, while remaining so today and determining the potential of Eurasian integration in the global arena, at the same time being the cause of a number of fundamental problems of unification. These problems, caused by resource inequality and infrastructural imbalance, have a profound impact on the dynamics of integration processes. Among such problems are significant differences in the strategic interests of the states in relation to the EAEU; insufficient consistency of positions on energy development strategies; different and to some extent contradictory expectations from the emerging common energy markets; an imbalance in the levels of responsibility for the overall stability of the integration association. The need for practical solutions to problems and contradictions of this kind is an important factor determining the vector of further development of the integration association, its transformation from a predominantly economic Union to a new level – supported by ideology and values shared by all its participants.
Justification of methods for accelerating iterative loops nests
Authors: Метелица Елена Анатольевна
Published: April 2024

Рассматривается ускорение итерационных алгоритмов, которые
встречаются при решении задач математической физики, математического
моделирования, обработки изображений и других. В программной реализации
таких алгоритмов лежат гнёзда циклов (участки программы, состоящие из
вложенных циклов). Такие гнёзда циклов ускоряются при помощи комбинации
оптимизирующих преобразований, включающих тайлинг, метод гиперплоскостей
и распараллеливание на общую память. Обосновывается эквивалентность
комбинации используемых преобразований программ.

Предлагается и обосновывается метод изменения порядка обхода тайла.
Метод даёт ускорение за счёт увеличения количества чтений данных из
регистров, вместо чтений из более медленной памяти. С учётом этого
метода получена формула вычисления оптимальных размеров тайлов.

Представленной в статье цепочкой преобразований достигается ускорение
в 1.4 раза большее, чем в известном алгоритме оптимизации, реализованном
в системе PLUTO. Приводятся численные эксперименты, которые в некоторых
случаях на процессоре с 8 ядрами демонстрируют ускорение относительно
исходных последовательных программ более чем на порядок. Результаты
статьи могут использоваться для ручной и автоматизированной оптимизации
программ.
Saúde sexual e reprodutiva: conhecimentos, atitudes e práticas de estudantes universitários
Authors: Martins Nádia Vicência do Nascimento , Samselski Bruna Jacó Lima , Sato Caroline Sayuri Lustosa , Gomes Junior Denilson Soares
Published: April 2024

Objetivo: Evidenciar conhecimentos, atitudes e práticas acerca da saúde sexual e reprodutiva de estudantes universitários. Métodos: Estudo descritivo, quantitativo e transversal abrangendo 117 estudantes universitários; realizado de maneira virtual, a partir de instrumento de coleta de dados aplicado por meio da plataforma virtual Google Forms. Resultados: Idade média de 23 anos, sexo feminino mais prevalente (67,52%). 90,60% já vivenciaram a primeira relação sexual, cerca de 41% não utilizou preservativo na última relação sexual, e 49,57% mantiveram relações sexuais sob efeito de bebidas alcoólicas ou sob efeito de drogas ilícitas (9,70%). A maioria (52,14%) recebeu orientações sobre saúde sexual na escola, porém quando há dúvidas, buscam a internet (53,85%). A maioria desconhece a ocorrência de infecções sexualmente transmissíveis (88,03%) e 40% dos jovens realizavam consultas anuais. Conclusão: Infere-se a importância em estimular à educação sexual e reprodutiva nas universidades, visando atenuar a vulnerabilidade, por meio de uma rede de apoio “universidade x amigos x familiares”, com auxílio de ferramentas tecnológicas.  Os resultados são representativos e auxiliam na compreensão da saúde sexual e reprodutiva, forcecendo subsídios para aprimoramento de políticas públicas de saúde, com intuito de melhorar o acesso à informação, aos serviços de saúde, ao diagnóstico e tratamento precoce.
Analysis of Disaster Vulnerability Areas in West Bandung Regency, West Java, Indonesia
Authors: Usman Dudi Nasrudin , Sukarsih Icih , Permanasari Yurika , Mildani Deni , Widayati Sri , Nuryahya Himawan , Pulungan Linda , Ramadhani Rully Nurhasan
Published: April 2024

Mineral resources, coal, and rock are one of the potentials possessed by Indonesia to be able to earn income from the mining sector. West Bandung Regency is one of the areas that have quite a lot of potential rock and mineral resources. The potential of this area is quite large, namely andesite rock, sand, limestone, and sandstone. Zeolite and others. On the other hand, the West Bandung area has a high potential and threat of being a disaster-prone. West Bandung Regency has the highest number of natural disasters occurring in the type of landslide disaster, which occurred 52 times in the period 2008-2016, or 68% of all disasters. Loss of economic value also occurs for mining material resources which are limited by the existence of a disaster zone. So it is necessary to carry out mitigation from the start to map disaster areas that have an impact on the distribution and existence of mining material resources. This study aims to identify and analyze the potential of rock resources in disaster-prone areas, so as to be able to prioritize conservation aspects for potential mining materials. The method used in this research is through literature study, mapping the potential of mining materials, mapping the potential of disaster-prone areas, processing of secondary data, and analysis using remote sensing. The results of this study are that the rocks in the West Bandung area are divided into groups of volcanic rocks, sedimentary rocks, and alluvial deposits. The volcanic rock group got a score of 3 because it was considered more prone to erosions than the sedimentary and alluvial rock groups which were scored 2 and 1. with a weighted level of disaster vulnerability. The zone of high disaster susceptibility is considered to have the highest probability of a disaster occurring. Therefore, in the final result, the overlap between the distribution of the potential for minerals and the zone of high disaster susceptibility results in a potential area for minerals that are relatively safe from disasters, both soil movement, and flooding. Potential mining resources in West Bandung Regency are Andesite basalt 1,860,412 ha (1.43%), Limestone 667.05 ha (0.50%), Sirtu 40,949.76 ha (31.35%%).
Identification of Deep Groundwater Aquifer Zones with Geoelectrical Method in Sukadanaham Area Bandar Lampung, Indonesia
Authors: Haerudin Nandi , Rizkiano Aldika , Mulyasari Rahmi , Hesti
Published: April 2024

Research on groundwater aquifers using the geoelectric method has been carried out in the Sukadanaham area, Tanjung Karang Barat District, Bandar Lampung City. This Research Objectives This research aims to identify the lithology and depth of groundwater aquifer zones based on resistivity values ​​and geological literature. Data acquisition was carried out using the Schlumberger configuration of 3 points in the young Betung volcanic formation (Qhvb). The data used is the resistivity value. Resistivity value data is modeled vertically with inverted results. The resistivity value of each point is adjusted and interpolated based on the literature on rock resistivity values. Based on the identification results, 4 types of subsurface rock lithology were found, namely top soil, tuff, breccia, and andesite. The lithology of the layers at point 1, point 2 and point 3 is dominated by tuff and breccia layers. The resistivity value of the andesite layer obtained has a high value, which is > 300 Ωm. The resistivity value of the tuff layer for the waterproof layer has a value of 200-250 Ωm. The breccia layer acts as a groundwater aquifer zone with a low resistivity value of 15-60 Ωm. The rock resistivity value with the lowest value is at a depth of 40-95 m which is a compressed aquifer layer with andesite and tuff layers as a waterproof layer above and below.
Pervious Concrete and Pervious Mortar as Water Filter in Decentralized Water Treatment– a Review
Authors: Yogafanny Ekha , Triatmadja Radianta , Nurrochmad Fatchan , Supraba Intan
Published: April 2024

Decentralized water treatment system is water treatment carried out by the community on a household-scale. One of the technologies that have been developed to gain freshwater is the pervious concrete filter (PCF). This study aims to provide the researchers with an understanding of the pervious concrete filter as a potential filter technology in water treatment. The method used is a literature review from several papers and reports related to pervious concrete from past to present. PCF is a filter made from a mixture of aggregate, cement, and water with a specific ratio. PCF has enough water and air permeability due to interconnected macro pores. Some properties such as porosity, permeability, and pores size determine the ability of PCF to remove the contaminants in the water. These properties were controlled mostly by the aggregate size, aggregate-cement ratio, water-cement ratio, etc. According to its characteristic, the PCF shows a prospect to be used as water filter mainly in a decentralized water treatment system. Besides, the understanding of PCF is a basis to develop a pervious mortar filter that slightly different in the aggregate sizes used in this composite.
Petrochemistry of Ultramafic Rock in Baula - Pomalaa Ophiolite Complex, Southeast Sulawesi, Indonesia
Authors: Cendrajaya Rio Irhan Mais , Juarsan Laode Ihksan , Masri  , Rubaiyn Al , Syahrul  , Neni  , Ramadani Suci , Hasria
Published: April 2024

Baula and Pomalaa Ophiolitic Complexes are part of East Sulawesi Ophiolite (ESO). The ultramafic rocks in the Baula and Pomalaa Ophiolite Complex mainly is peridotite and consist of harzburgite, lherzolite and olivine websterite, mostly serpentinized. Chemical and petrological research has focused on minerals, such as olivine, pyroxene, and spinel. This study examines the tectonic setting and temperature of ultramafic rock formation. Twelve ultramafic rock samples were examined using geothermometers made of pyroxene, petrographic examination, and coexisting olivine and spinel analyses. SEM and petrographic analysis of pyroxene lamellae and mylonite-ultramylonite structures allowed for the measurement of the geothermometer of ultramafic rocks. Using SEM-EDS, the coexistence of olivine and spinel was analyzed to determine the type of ultramafic tectonic setting. In the coexistence of olivine and spinel, olivine and spinel oxide compounds as tectonic setting markers in the form of Fo and Cr# values. Ultramafic rocks have different temperature levels, based on pyroxene thermometer, and the first one starts at a high temperature of 1000-1200ºC. It is characterized by thin, elongated augite lamellae. Instead, large lamellae characterize augite at medium temperatures (800–1000ºC). Irregular, anhedral, and broader forms of enstatite lamellae are typical of low temperatures (500–800ºC). Different generations of exsolution lamellae indicate that magma cooling was gradual. The distribution of #Fo ranged from 0.87 to 0.92, and Cr# values ranged from 0.13-0.19. According to coexisting olivine and spinel analysis. On the Olivine-Spinel Mantle Array (OSMA), the Fo and Cr# plot indicates that the peridotites tectonic setting was from the ocean floor and the magmatism was from MORB (Mid Oceanic Ridge Basalt). The Al2O3 vs. TiO2 pattern in spinel lherzolite also similar with Ampana and Kabaena peridotites magmatism.
Investigation of the Dominant Direction of the Fault Structure Using the Radon Method at Mt. Pancar Geothermal Field
Authors: Afero Faruk , Dear Varuliantor , Husin Asnawi
Published: April 2024

The Mt. Pancar geothermal field in Bogor, Indonesia, has been surveyed for radon in soil gas. There were 33 measurement points across the survey area that were separated by 100-200 meters. Through the radon method, this study aims to show the direction of the dominant fault structure based on the distribution of radon values in around observation area. The Radon concentration was measured by RAD 7 Electronic Radon Detector Durridge Company. The study showed the dominant structure was directed southwest-northeast, passing through the manifestation of the red crater. The result of radon soil gas survey performed highest radon concentration near the manifestations which was included survey area was about 10047 Bq⁄m^3. The manifestation was predicted to be controlled by the three faults in the Mt. Pancar geothermal field.
The use of tennis racket media among SEA Games athletes in Cambodia: How does it affect receiving sepak takraw?
Authors: Hakim Abdul Aziz , Saifullah Ronny , Pelana Ramdan , Hanafi Moh. , Yanti Novi
Published: April 2024

Background Problems: Receiving the first ball is a problem for national sepak takraw athletes at the 2023 Cambodia Sea Games, where the reception technique is in the bad category. Research Objectives: This study aims to determine the effect of using tennis racket media on SEA Games athletes in Cambodia on improving sepak takraw reception skills. Methods: This study used quantitative methods with a one-group pretest and posttest. Random sampling was used to select Cambodian SEA Games sepak takraw athletes as research subjects. The population in this study were men’s sepak takraw athletes from the 2023 Cambodia Sea Games national training, with the sample used totaling 12 athletes taken randomly. Findings and Results: The results showed that the use of tennis racket media had a significant effect on increasing acceptance of sepak takraw games. Athletes who follow the training programme with tennis racket media experience a consistent increase in their ability to receive the ball.  Conclusion: These results indicate that the use of this additional training tool can be an effective strategy for improving the performance of sepak takraw athletes. The study makes some significant contributions to understanding the use of racket media in the training of sepak takraw athletes. Further research and wider experimentation can help deepen the understanding of the potential use of tennis racket media in sports training.
ضوابط وأحكام الأوراق المالية الإلكترونية: دراسة فقهية مقارنة
Authors: الشيخي محمد خليل محمد
Published: April 2024

تتمثل أهمية البحث في كون عملية التعامل بالأوراق المالية الإلكترونية تعد إحدى الركائز الأساسية في الأسواق المالية المعاصرة؛ ولذلك فإن هذا البحث يسلط الضوء على أمر في غاية الأهمية وتنير الطريق للباحثين وطلاب العلم للخوض في موضوعات مشابهة، كما يعتبر من أكثر المعاملات التي تعمل على جذب المتعاملين في الأسواق المالية.  وقد استهدف البحث بيان الحكم الشرعي للتعامل بالأوراق المالية الإلكترونية، وتوضيح المقصود بالأوراق المالية الإلكترونية، وبيان الآثار الإيجابية والسلبية، والملامح الأساسية لها، من خلال الإجابة على عدة أسئلة، منها: ما ضوابط وأحكام الأوراق المالية الإلكترونية؟ وما الشروط اللازمة للتعامل بالأوراق المالية الإلكترونية؟ وما التكييف الفقهي للتعامل بالأوراق المالية الإلكترونية؟ ولتحقيق تلك الأهداف البحثية استند البحث إلى عدة مناهج كما يلي: المنهج الاستقرائي، والمنهج التحليلي، والمنهج المقارن. وتوصل البحث إلى مجموعة من النتائج, أبرزها: عدم جواز التعامل بالفوائد الربوية من خلال دفع أو تلقي أي رسوم تبييت الصفقات، وعدم جواز التداول على الأسهم المحرمة التي تكون مع شركات تتعامل بالفوائد الربوية أو تصنيع المحرمات. وأوصى البحث بعدة مقترحات, أهمها: أهمية تناول مثل هذه القضايا بالبحث والدراسة، من عمل الأبحاث العلمية في الجامعات أو من خلال إقامة المسابقات المتنوعة التي تحث على بحث هذه الجوانب الفقهية المعاصرة، علاوة على عقد المؤتمرات والندوات التي تبين حكم التعاملات المالية المعاصرة.
تجلّيات اللغة السرديّة في رواية "اللصّ والكلاب" لنجيب محفوظ
Authors: كيّال هديل
Published: April 2024

تستكشف الدراسة دور اللغة السردية في رواية "اللص والكلاب"، وتتناول حدودها، محللة أشكالها المختلفة وتعبيراتها بين الشخصيات والأحداث. تتألف الدراسة من مقدمة وستة أقسام، تسلط الضوء على أهمية اللغة ضمن سياق الرواية وتناغمها مع الأفعال الاجتماعية والثقافية والدينية. باستخدام الطرائق الوصفية والاستقرائية والاستنتاجية، تهدف الدراسة إلى الإجابة على أسئلة رئيسية مثل ما إذا كانت اللغة مجرد أداة محايدة أم أساس لبناء السرديات المعقدة، وما هي أشكال الأداء النوعي التي تتخذها داخل الرواية. تحلل الدراسة نسج السرد، ولغة الحوار، والحديث الفردي، مراقبة كيفية تجلّي اللغة في سياقات مختلفة مثل الذكريات، الأحلام، التجارب، وتدفق الوعي. تؤكد الدراسة أن الرواية هي في جوهرها عكس للحياة، تصوّر الواقع الاجتماعي من خلال لغة نثرية تعكس الصراعات الإنسانية. يسلط التفاعل بين البنية السردية واللغوية داخل الرواية الضوء على أن اللغة جزء لا يتجزأ من الهيكل النفسي للشخصيات بدلاً من أن تكون ميزة جمالية مجردة أو حاوية لأفكارها.
أثر الرقابة الإستراتيجية في تحسين كفاءة إدارة الأزمات في الشركات الصناعية الأردنية
Authors: الحبابي سالم محمد
Published: April 2024

ركزت الدراسة على بيان أثر الرقابة الإستراتيجية في تحسين كفاءة إدارة الأزمات، وبيان أثر كل من: تحديد المعايير، قياس الأداء الفعلي، تقييم الأداء الإستراتيجي، وإتخاذ الإجراءات التصحيحية في تحسين إدارة الأزمات في الشركات الصناعية الأردنية. ولتحقيق هذه الأهداف تم اعتماد المنهج الوصفي التحليلي، وتم جمع البيانات الأولية من خلال إستبانة إلكترونية وُزّعت على أفراد عينة الدراسة المكونة من المدراء العامين ونائبيهم ومدراء الدوائر ورؤساء الأقسام في الشركات الصناعية المساهمة العامة في الأردن، حيث تم توزيع (235) إستبانة، واسترداد (201) إستبانة كانت جميعها صالحة للتحليل الاحصائي. واستخدمت الدراسة أساليب الاحصاء الوصفي في تحليل البيانات، كما استخدمت تحليل الانحدار الخطي المتعدد والمتدرج لاختبار الفرضيات. وتوصلت الدراسة إلى وجود أثر دال إحصائياً للرقابة الاستراتيجية في تحسين كفاءة إدارة الأزمات في الشركات الصناعية الأردنية، ووجود وجود أثر دال إحصائياً لكل من تحديد المعايير وقياس الأداء الفعلي وتقييم الأداء الاستراتيجي وإتخاذ الإجراءات التصحيحية في تحسين كفاءة إدارة الأزمات في الشركات الصناعية الأردنية. وأوصت الدراسة بإعداد إدارة الشركات استراتيجيات واضحة لإدارة الأزمات تتضمن تحديد المخاطر المحتملة ووضع خطط لمواجهتها، واستخدام التكنولوجيا الحديثة وأنظمة مراقبة البيانات لتعزيز الرقابة الاستراتيجية وتحسين الاستجابة للأزمات.
Data science accelerates energy device development
Authors: Cheng Shuan , Cui Xiao , Chueh William , Sun Shijing
Published: April 2024

Data science has become increasingly prevalent in the development of energy devices, offering significant advancements in predicting future behaviors and identifying optimal process parameters in a resource-saving manner. This perspective begins by examining the role of data science and ML in enhancing accelerated aging tests across solar, battery and fuel cells. We present a generalizable data-driven workflow for processing aging test data and predicting the lifespan of different device types. In this perspective, we discuss two strategies to improve our understanding of device failures: integrating physics-based parameters and utilizing interpretable machine learning (ML) techniques. Following a brief review on ML-assisted process optimization, we propose an interpretable closed-loop platform towards digital manufacturing for thin-film solar and Li-ion battery production. Finally, we discuss the current challenges and research gaps in applying data science for accelerated energy device development, aiming to spark further investigation in this field.
Exploring the chemical reactivity of triisopropylsilyl dialkynyl methanol for the synthesis of dialkynylcarbinol-related compounds
Authors: Vieira de Brito Maria , Toublet François-Xavier , Bossuat Margaux , Barbosa Davi Dalila Maria , Almeida Diana Kelly , de Sousa Fonseca Thiago , Miranda Nunes Fátima , Carlos de Mattos Marcos , Caroff Maëlle , Britton Sébastien , Ballereau Stéphanie , Maraval Valérie , Ferreira Oliveira Maria Conceição , Génisson Yves , Bernardes-Génisson Vania
Published: April 2024

Prompted by the pharmacological relevance of lipidic alkynylcarbinols, 1-(triisopropyl)silyl)penta-1,4-diyn-3-ol was exploited as a versatile C5 organic framework. Selective functionalization of this dissymmetrical dialkynylcarbinol precursor was achieved via the creation of either a Csp-Csp (alkyne), a Csp-Csp2 (alkene and aryl) or a Csp-Csp3 (RCHOH) bond. This allowed to access a novel racemic series of bioinspired acetylenic lipids that revealed amongst the most potent to date, with IC50 down to 27 nM on osteosarcoma U2OS cells. Click-type 1,3-dipolar cycloadditions such as a copper-catalyzed reaction with a long-chain alkyl azide (CuAAC) and a base-promoted reaction with a lipidic nitrile oxide were then first described in a racemic version. Preparation of both enantiomers of 1-(triisopropyl)silyl)penta-1,4-diyn-3-ol by kinetic enzymatic resolution with CAL-B immobilized on acrylic resin was carefully optimized. Finally, the use of resolved samples in 1,3-dipolar cycloaddition reactions led to the enantioenriched cycloadducts without significant epimerization of the carbinol center.
Time-Dependent Density Functional Theory Excited-State Forces with the Gaussian and Augmented Plane Wave Method
Authors: Sertcan Beliz , Hutter Jürg , Hehn Anna-Sophia
Published: April 2024

Augmented plane wave methods enable an efficient description of atom-centered or localized features of the electronic density, circumventing high energy cutoffs and thus prohibitive computational costs of pure plane wave formulations. To complement existing implementations for ground-state properties and excitation energies, we present the extension of the Gaussian and augmented plane wave method to excited-state nuclear gradients within the CP2K program package. Benchmarks for a test set of 35 small molecules demonstrate that maximum errors in the nuclear forces for excited states of singlet and triplet spin multiplicity are smaller than 0.1 eV/Å. The method is furthermore applied to the calculation of the zero-phonon line of defective hexagonal boron nitride. This spectral feature is reproduced with an error of 0.2 eV in comparison to GW-Bethe-Salpeter reference computations and of 0.4 eV in comparison to experimental measurements. Accuracy assessments and applications thus demonstrate the potential use of the outlined developments for large-scale applications on excited-state properties of extended systems.
Artificial Enzyme with Organophosphorus Hydrolase-Like Activity-Quenched Aggregation-Induced Emission Effect: Self-Reporting and Specific Assay of Nerve Agents
Authors: Guo Xinyan , Zhang Yucui , Huang Baojian , Han Lei
Published: April 2024

Given the promising prospect of organophosphorus hydrolase (OPH)-like nanozymes in a biochemical assay, it is interesting and significant to combine two signal channels into one method for nerve agents and organophosphorus pesticide detection. Here, AIEzyme with bifunctionality was designed and synthesized via simple heating process, which integrates the OPH-like catalytic feature of AIE material and their fluorescence property. It exhibited a detector response via both fluorescence and visible colorimetric observation. Moreover, the OPH-mimicking activity of AIEzyme exhibits high catalytic activity and does not produce ROS, freeing the corresponding detection system from interference in a colorimetric assay. Interestingly, AIEzyme with OPH-like activity-caused quenching effect on inherent fluorescence, which triggers a self-reporting and specific nerve agents assay process based on the unique features of AIEzyme. Due to the complementary and synergistic effects of the integration of the two signals in one method, a simple dual-mode colorimetric and fluorescence assay with specific sensitivity, high flexibility, and portability is established, which not only improves analytical efficiency but also expands the detection range. The proposed strategy will open avenues for expanding the application of AIE materials and artificial enzymes such as environmental monitoring and food safety.
Machine Learning to Access and Ensure Safe Drinking Water Supply: A Systematic Review
Authors: Feng Feng , Zhang Yuanxun , Chen Zhenru , Ni Jianyuan , Feng Yuan , Xie Yunchao , Zhang Chiqian
Published: April 2024

Drinking water is essential to public health and socioeconomic growth. Therefore, assessing and ensuring drinking water supply is a critical task in modern society. Conventional approaches to analyzing and controlling drinking water quality are labor-intensive and costly with a low throughput. Machine learning (ML) is an alternative, promising technique to assess and ensuring safe drinking water supply. Existing reviews have summarized the applications of ML in safe drinking water supply from different aspects. However, a state-of-the-art, comprehensive review is missing that focuses on applying ML to monitor, simulate, predict, and control drinking water quality, especially in municipal engineered water systems. This review, therefore, critically compiles the applications of ML in assessing and ensuring water quality in engineered water systems. To be comprehensive, we also cover the applications of ML in other drinking-water-related settings such as water sources and water purification processes. We explain the basic mechanics and workflows of ML, focusing on the applications of ML to access and control key factors or etiologies in drinking water from the physical, chemical, and microbiological aspects. Those factors or etiologies affect water quality and public health, such as water pipeline failures, disinfectant by-products, heavy metals, opportunistic pathogens, biofilms, and antimicrobial resistance genes. We then illustrate the distribution of ML models across research topics in safe drinking water supply. Finally, we discuss the challenges and outlooks for the applications of machine learning in safe drinking water supply. This is the first review summarizing the feasibility and applications of ML in assessing and ensuring water quality in municipal engineered water systems as well as other related water environments.
Exploring the Oxidation of Olefins and Intrinsic Bromoperoxidase-like Catalytic Activities of Highly Nonplanar and Robust Triphenylamine Based Oxidovanadium(IV) Porphyrin
Authors: Kumar Sandeep , Maurya Shailendra K. , Sankar Muniappan , Maurya Mannar R.
Published: April 2024

The utilization of metalloporphyrins as green catalysts for environmental and industrial applications is an active area of research. Herein, we have synthesized highly nonplanar oxovanadium 2,3,7,8,12,13,17,18-octatriphenylamino-meso-5,10,15,20-tetraphenylporphyrin, VOTPP(TPA)8 and characterized by various spectroscopic techniques viz. mass spectrometry, cyclic voltammetry, UV-Vis. and DFT calculations. VOTPP(TPA)8 exhibited severe saddled shape conformation and blue-shifted electronic spectral features as compared to freebase. The first oxidation potential of VOTPP(TPA)8 exhibited a cathodic shift of 360 mV as compared to VOTPP. VOTPP(TPA)8 was investigated as an efficient catalyst for selective epoxidation of various alkenes in very good yields and high TOF numbers (11447-13026 h1) with H2O2 as an oxidizing reagent and NaHCO3 as a promotor in CH3CN/H2O as the solvent at the ambient temperature. This catalyst also showed very high TOF values (147213-210305 h1) during catalytic oxidative bromination of phenol and some of their derivatives under acidic conditions (i.e. HClO4) in the presence of KBr as a bromine source using 30% aqueous H2O2. The recyclability of VOTPP(TPA)8 as a catalyst in these catalytic processes is confirmed by the UV–Vis. spectroscopy and MALDI-TOF spectrometry. VOTPP(TPA)8 porphyrin catalyst was recovered carefully at the end of the various catalytic cycles in both catalytic processes indicating it is reusable and of industrial importance.
Beyond Molecular Structure: Critically Assessing Machine Learning for Designing Organic Photovoltaic Materials and Devices
Authors: Seifrid Martin , Lo Stanley , Choi Dylan G. , Tom Gary , Le My Linh , Li Kunyu , Sankar Rahul , Vuong Hoai-Thanh , Wakidi Hiba , Yi Ahra , Zhu Ziyue , Schopp Nora , Peng Aaron , Luginbuhl Benjamin , Nguyen Thuc-Quyen , Aspuru-Guzik Alán
Published: April 2024

Our study explores the current state of machine learning (ML) as applied to predicting and designing organic photovoltaic (OPV) devices. We outline key considerations for selecting the method of encoding a molecular structure and selecting the algorithm while also emphasizing important aspects of training and rigorously evaluating ML models. This work presents the first dataset of OPV device fabrication data mined from the literature. The top models achieve state-of-the-art predictive performance. In particular, we identify an algorithm that is used less frequently, but may be particularly well suited to similar datasets. However, predictive performance remains modest (R2 ≅ 0.6) overall. An in-depth analysis of the dataset attributes this limitation to challenges relating to the size of the dataset, as well as data quality and sparsity. These aspects are directly tied to difficulties imposed by current reporting and publication practices. Advocating for standardized reporting of OPV device fabrication data reporting in publications emerges as crucial to streamline literature mining and foster ML adoption. This comprehensive investigation emphasizes the critical role of both data quantity and quality, and highlights the need for collective efforts to unlock ML's potential to drive advancements in OPV.
EXTRACTION OF POLYSACCHARIDE ULVAN FROM GREEN SEAWEED Ulva lactuca VIA HYDRATED DEEP EUTECTIC SOLVENTS
Authors: Hardiningtyas Safrina Dyah , Al Haqqy Rizqy Inggil , Albarokah Nurdiansyah , Ramadhan Wahyu , - Uju , Pari Rizfi Fariz , Wakabayashi RIe , Moriyama Kousuke
Published: April 2024

Ulva lactuca is a green seaweed that has three times faster growth than other types of seaweed and high sulfate polysaccharide content that can be used for biological activities. Deep Eutectic Solvents (DES) emerged as an alternative to extracting ulvan due to its biodegradable, environmentally friendly, and harmless nature. This study aims to determine the type and concentration of DES that can produce the best ulvan extract characteristics based on yield, FTIR, and viscosity analysis as well as moisture and sulfate content tests. The stages of research carried out include preparation and characteristics of raw materials, DES synthesis, extraction, and further analysis and tests. Different types and concentrations of DES affect the results of the analysis. The test results showed the highest ulvan yield found in the 30% choline chloride-urea DES type treatment (KKU30), while the sulfate content and viscosity values were found in the 30% choline chloride-glycerol treatment (KKG30). The ulvan functional group in the 30% choline chloride-glycerol treatment (KKG30) showed absorption band results similar to HCl treatment.
Insights into controlling bacterial cellulose nanofiber film properties through balancing thermodynamic interactions and colloidal dynamics
Authors: Mandal Aban , Liao Kuotian , Iyer Hareesh , Lin Junhao , Li Xinqi , Zhang Shuai , Roumeli Eleftheria
Published: April 2024

In recent years, nanocellulose has emerged as a sustainable and environmentally friendly alternative to traditional petroleum-derived structural polymers. Sourced either from plants, algae, or bacteria, nanocellulose can be processed into colloid, gel, film and fiber forms. However, the required fundamental understanding of process parameters that govern the morphology and structure-property relationships of nanocellulose systems, from colloidal suspensions to bulk materials, has not been developed and generalized for all forms of cellulose. This further hinders the more widespread adoption of this biopolymer in applications. Our study investigates the dispersion of cellulose nanofibers (CNFs) produced by a bacterial-yeast co-culture, in solvents, highlighting the role of thermodynamic interactions in influencing their colloidal behavior. By adjusting Hansen solubility parameters, we controlled the thermodynamic relationship between CNFs and solvents across various concentrations, studying the dilute to semi-dilute regimes. Rheological measurements revealed that the threshold at which a concentration-based regime transition occurs is distinctly solvent-dependent. Complementing rheological analysis with small angle X-ray scattering and zeta potential measurements, our findings reveal that enhancing CNF-solvent interactions increases excluded volume in the dilute regime, emphasizing the importance of the balance between fiber-fiber and fiber-solvent interactions. Moreover, we investigated the transition from colloidal to solid state by creating films from dispersions with varying interaction parameters in semi-dilute regimes. Through mechanical testing and scanning electron microscopy imaging of the fracture surfaces, we highlight the significance of electrokinetic effects in such transitions, as dispersions with higher electrokinetic stabilization gave rise to stronger and tougher films despite having less favorable thermodynamic interaction parameters. Our work provides insights into the thermodynamic and electrokinetic interplay that governs bacterial CNF dispersion, offering a foundation for future application and a deeper understanding of nanocellulose's colloidal and structure-property relationships.
Core Binding Energy Calculations: A Scalable Approach with Quantum Embedding based EOM-CC Method
Authors: Jangid Bhavnesh , R. Hermes Matthew , Gagliardi Laura
Published: April 2024

We investigate the use of density matrix embedding theory to facilitate the computation of core ionization energies (IP) of large molecules at the equation of motion coupled-cluster singles doubles with perturbative triples (EOM-CCSD*) level in combination with the core-valence separation (CVS) approximation. The unembedded IP-CVS-EOM-CCSD* method with a triple-ζ basis set produces ionization energies within < 1 eV of experiment with a standard deviation of about 0.2 eV for the core65 dataset. The embedded variant contributes very little systematic error relative to the unembedded method, with a mean unsigned error of 0.07 eV and a standard deviation of about 0.1 eV, in exchange for accelerating the calculations by many orders of magnitude. By employing embedded EOM-CC methods, we computed the core-ionization energies of uracil-hexamer, doped fullerene, and chlorophyll molecule, utilizing up to ∼4000 basis functions within < 1 eV from experimental values. Such calculations are not currently possible with unembedded EOM-CC method.
Setenta Anos de História da Moda em São Paulo (1950-2020)
Authors: Santucci Natália de Noronha , Alves Paulo Gabriel
Published: April 2024

O presente texto contém resultados parciais do projeto Histórias da Moda, realizado com o objetivo principal de inventariar a produção acadêmica de e para pesquisadores com interesse nas relações entre tempos passados e a moda em todo o Brasil. O compilado a seguir contempla simultaneamente as concepções mais amplas de moda e de história, reunindo teses e dissertações defendidas em Programas de Pós-Graduação do estado de São Paulo, desde o precursor estudo de Gilda de Mello e Souza (1950) até os apresentados no ano de 2020. Os acervos institucionais de dezenas de instituições foram consultados, e obteve-se mais de uma centena de títulos relevantes. A vastidão de repositórios digitais e a profusão de informações disponíveis na internet justificam a elaboração de levantamentos como este, com a finalidade de auxiliar na etapa de revisão literária de estudos em moda. Algumas considerações preliminares foram feitas sobre os títulos e instituições, e observa-se ainda diversas possibilidades de utilização dos resultados obtidos, seja como parte do “estado da arte” da produção, seja o estudo da formação de redes profissionais estabelecidas entre orientadores e pesquisadores.
Reliability of an Instrumented Pressure Walkway for Measuring Walking and Running Characteristics in Young, Athletic Individuals
Authors: Jorgensen Alyx , McManigal Matthew , Post Austin , Werner David , Wichman Christopher , Tao Matthew , Wellsandt Elizabeth
Published: April 2024

Background

Spatiotemporal parameters of gait are useful for identifying pathological gait patterns and presence of impairments. Reliability of the pressure-sensitive ZenoTM Walkway has not been established in young, active individuals without impairments, and no studies to this point have included running.

Purpose

The purposes of this study were to 1) determine if up to two additional trials of walking and running on the ZenoTM Walkway are needed to produce consistent measurements of spatiotemporal variables, and 2) establish test-retest reliability and minimal detectable change (MDC) values for common spatiotemporal variables measured during walking and running.

Study Design

Cross-Sectional Laboratory Study

Methods

Individuals (n=38) in this cross-sectional study walked and ran at self-selected comfortable speed on a pressure-sensitive ZenoTM Walkway. Twenty-one participants returned for follow-up testing between one and 14 days later. Intraclass correlation coefficients (ICCs) were used to assess reliability of spatiotemporal variable means using three, four, or five passes over the ZenoTM Walkway and to assess test-retest reliability of spatiotemporal variables across sessions.

Results

All variables showed excellent reliability (ICC > 0.995) for walking and running when measured using three, four, or five passes. Additionally, all variables demonstrated moderate to excellent test-retest reliability during walking (ICC: 0.732-0.982) and running (ICC: 0.679-0.985).

Conclusion

This study establishes a reliable measurement protocol of three one-way passes when using the ZenoTM Walkway for walking or running analysis. This is the first study to establish reliability of the ZenoTM Walkway during running and in young, active individuals without neuromusculoskeletal pathology.

Level of Evidence

3b
Validity and Reliability of Dynamic and Functional Balance Tests in People Aged 19-54: A Systematic Review
Authors: Lesch Kim J , Tuomisto Sanni , Tikkanen Heikki O , Venojärvi Mika
Published: April 2024

Evaluating an impairment in an individual’s capacity to maintain, achieve, or restore balance suggests a deficiency in postural control. For effective identification of individuals at risk for falls, balance assessment should exhibit reliability, validity, and ease of use. This systematic review concentrated on dynamic and functional balance assessment methods and their validity in healthy adults aged 19-54. The objective was to clarify the tools that health professionals can utilize to assess balance in this healthy population.

Methods

A systematic literature search conducted in August 2019 yielded nine articles meeting predefined selection criteria. Inclusion criteria required studies featuring healthy adult participants aged 19-54, published in English, and focusing on dynamic and functional balance testing. Exclusion criteria excluded studies involving participants with chronic diseases or musculoskeletal disorders, systematic reviews, professional athletes, and those lacking specific participant age information. The quality of the studies was evaluated using a modified PEDro scale.

Results

This review analyzed ten distinct postural balance tests. The Star Excursion Balance Test and Y-Balance Test exhibited moderate to high reliability, establishing them as dependable measures of dynamic balance. The Nintendo Wii Balance Board, Clever Balance Board, and Posturomed device also displayed excellent reliability for assessing dynamic postural balance. Comparing one-arm and two-arm functional reach tests, the one-arm reach test emerged as a more suitable option for evaluating dynamic balance among young adults. Moreover, an investigation comparing three dynamic balance tests (one-leg jump landing, Posturomed device, and stimulated forward fall) revealed a low correlation among these tests, indicating a measurement of different balance constructs.

Discussion

In conclusion, the Y-Balance Test stands out as the most practical dynamic balance assessment for clinical use, characterized by a standardized protocol, good repeatability, affordability, and ease of application. The Nintendo Wii Balance Board also presents itself as a cost-effective and reliable tool for dynamic balance evaluation in clinical settings. It is crucial to recognize that these tests appraise discrete postural skills, preventing direct comparisons between test outcomes. This review equips healthcare professionals with valuable insights into optimal balance assessment methods for the healthy, 19 to 54 aged population.

Levels of evidence

Level 3
El papel de los profesionales de enfermería en el desarrollo y atención de la salud adolescente en Honduras
Authors: De Bortoli Cassiani Silvia Helena , Moreno Dias Bruna , Meléndez Romero Brenda Elizabeth , Rivera Jairo
Published: April 2024

Objetivo.

Identificar y analizar el papel de los profesionales de enfermería en el desarrollo y la atención de la salud adolescente en Honduras, por medio del análisis de los contenidos de la formación de los estudiantes de enfermería y de las políticas relacionadas con la salud de los adolescentes.

Métodos.

Estudio de métodos mixtos, con enfoque explicativo secuencial, desarrollado de mayo a julio del 2023 por medio de encuesta con escuelas de enfermería, análisis de los documentos políticos, encuesta con profesionales de enfermería y grupo focal. Datos cuantitativos analizados mediante estadística descriptiva y datos cualitativos analizados mediante el marco teórico de Walt y Gilson.

Resultados.

Durante la investigación, se analizaron 18 documentos y participaron siete escuelas de enfermería, 141 enfermeras y 10 actores clave en posición de liderazgo. Los resultados apuntan a la necesidad de actualizar y difundir el marco normativo, garantizar recursos y estructura para implementar programas intersectoriales y sostenibles, y capacitar a los profesionales. La escuela representa un espacio importante para la implementación de acciones, contexto en el que la adopción de la enfermera escolar puede ser provechosa. Las enfermeras fueron identificadas como protagonistas en la aplicación de los programas y deben ser consideradas en el desarrollo de políticas dirigidas a este público.

Conclusiones.

Las enfermeras participan en diversas etapas del proceso de implementación de políticas y pueden hacer importantes contribuciones a la salud escolar en el primer nivel de salud. Para ello, es necesario aumentar la capacidad de las enfermeras y docentes de enfermería en temas actuales y relevantes en la atención a los adolescentes.
Smart incubator for empowering poultry farmers by maximizing egg hatching success
Authors: Edgar Macalane , Bridget Chikafa , Mtemwengi Kamtsokwe , Glorindal G.
Published: April 2024

The poultry industry plays a vital role in ensuring the global food supply, and efficient egg incubation is crucial for successful poultry farming. Traditional egg incubation methods have relied on manual monitoring and control, resulting in suboptimal hatch rates and increased labor requirements. However, the emergence of smart technologies has revolutionized the field of egg incubation, leading to the development of the Smart Egg Incubation System. The Smart Egg Incubation System integrates advanced technology, such as the Internet of Things (IoT), Artificial Intelligence (AI), and Machine Learning (ML), to optimize the incubation process and enhance hatch rates. The system employs a network of sensors to monitor and collect real-time data on temperature, humidity, egg turning, and ventilation within the incubation environment. This paper also proposes a commercial incubators website that will help to market incubators available for companies and hold their company profiles, where customers will tend to explore what they need pertaining to incubators and egg incubator accessories, helping to meet the needs of local farmers. This will help small enterprises to grow and get affordable incubators and accessories to eliminate the distance in business affairs for both local farms and big farms. An AI chatbot will also be available specifically designed to assist farmers in monitoring and managing chicken incubators effectively. The chatbot aims to provide real-time information and support to farmers, addressing their needs related to purchasing incubators, understanding incubator capacities, hatching periods, and addressing miscellaneous questions. The AI chatbot acts as a reliable virtual assistant, offering farmers guidance on where to purchase suitable incubators tailored to their specific requirements. By analyzing a comprehensive database of reputable suppliers and their offerings, the chatbot offers recommendations based on factors such as incubator size, cost, features, and customer reviews.
Application Effects of Light Lumbar Anesthesia and Nerve Block Anesthesia in Elderly Hip Joint Surgery
Authors: Gao Sanjie
Published: April 2024

Objective: To analyze the application effects of light lumbar anesthesia and nerve block anesthesia in elderly hip joint surgery. Methods: A total of 40 patients indicated for hip joint surgery from February 2021 to February 2022 were randomly divided into the control group and the observation group, each with 20 patients. The control group received nerve block anesthesia and the observation group was given light lumbar anesthesia. Results: Based on the results, the anesthetic effect in the observation group was better than that in the control group (P < 0.05), the difference was statistically significant. Conclusion: Compared with nerve block anesthesia, light lumbar anesthesia can achieve better analgesic effects and stable blood circulation in elderly patients undergoing hip joint surgery.
Evaluation of the Effectiveness of Community Pharmacy Services on Rational Medication Use in Elderly Patients with Hypertension and Diabetes
Authors: Zheng Tian , Huang Xulin , Liu Lei
Published: April 2024

Objective: To explore the effect of community pharmacy services on rational medication use in elderly patients with hypertension and diabetes. Methods: Between November 2022 and December 2023, 80 elderly patients with hypertension and diabetes were selected and randomly divided into a control group (routine medication guidance) and an observation group (community pharmacy services), with 40 subjects each. The medication effect scores, blood pressure, blood sugar levels, and quality of life scores before and after intervention were compared between the two groups. Results: Comparison of pharmaceutical knowledge, medication compliance, and safe medication behavior scores showed that the observation group had higher scores as compared to the control group (P < 0.05); blood pressure (systolic blood pressure, diastolic blood pressure, heart rate) and blood sugar (fasting blood glucose, 2 h postprandial blood glucose, glycated hemoglobin) index levels were compared, and the observation group’s index levels were lower than those of the control group (P < 0.05); the scores of physical health, mental health, social relationships, and environment in the observation group were higher than those in the control group (P < 0.05). Conclusion: Community pharmacy services improved the rational medication effect of elderly patients with hypertension and diabetes, and improved their blood pressure, blood sugar control levels, and quality of life.