bluuebunny/crossref_metadata_2025 huggingface dataset:
Integration of traditional and modern approaches in saxophone teaching: opportunities and problems of modern music education in Russian universities
Authors: Тяньфу Ю.
Published: March 2024

В эпоху стремительного развития цифровых технологий и глобализации, трансформация музыкального образования, в частности обучения игре на саксофоне, становится актуальной задачей для высших учебных заведений России. Традиционные методы обучения, акцентирующие внимание на классических подходах к исполнительству и теории музыки, вступают в диалог с инновационными педагогическими стратегиями, включающими в себя использование цифровых технологий и современных музыкальных практик. Материалы и методы. Исследование основывается на анализе образовательных программ по саксофону в ведущих музыкальных университетах России, включая Московскую консерваторию и Санкт-Петербургскую академию искусств. Проанализировано более 150 учебных планов, а также проведены интервью с 30 преподавателями и 100 студентами. В исследование включены как качественный, так и количественный анализ данных. Результаты. Исследование показало, что 78% преподавателей саксофона используют традиционные методы обучения, в то время как 22% уже интегрируют современные технологии в свою педагогическую практику. Анализ студенческих отзывов выявил, что 65% студентов выражают желание больше использовать цифровые инструменты в обучении. Примеры успешной интеграции включают использование специализированных программ для разработки нотных партий и интерактивных приложений для самостоятельных занятий.

In the era of rapid development of digital technologies and globalization, the transformation of music education, in particular saxophone playing, is becoming an urgent task for higher educational institutions in Russia. Traditional teaching methods, focusing on classical approaches to performance and music theory, enter into a dialogue with innovative pedagogical strategies that include the use of digital technologies and modern musical practices. Materials and methods. The study is based on an analysis of saxophone education programs at leading Russian music universities, including the Moscow Conservatory and the St. Petersburg Academy of Arts. More than 150 curricula were analyzed, as well as interviews with 30 teachers and 100 students were conducted. The study includes both qualitative and quantitative data analysis. Results. The study showed that 78% of saxophone teachers use traditional teaching methods, while 22% already integrate modern technologies into their teaching practice. An analysis of student reviews revealed that 65% of students express a desire to use digital tools more in teaching. Examples of successful integration include the use of specialized programs for the development of musical parts and interactive applications for self-study.
Assessment of the economic efficiency of the introduction of innovative educational technologies in Russian universities: case study and long-term prospects
Authors: Успаева М.Г. , Гачаев А.М.
Published: March 2024

В современной образовательной парадигме России наблюдается значительный акцент на интеграцию инновационных технологий в процесс обучения в высших учебных заведениях. Этот процесс, критичный для поддержания конкурентоспособности на мировом образовательном рынке, предполагает не только трансформацию учебных методов, но и оценку их экономической эффективности. Материалы и методы. Исследование базируется на кейс-стади одного из ведущих российских вузов – Московского государственного университета. Применялись методы экономического анализа, включая оценку затрат и выгод от внедрения образовательных инноваций, а также анкетирование студентов и преподавателей для оценки удовлетворенности новыми методами обучения. Результаты исследования подтвердили, что инвестиции в инновационные образовательные технологии приводят к улучшению качества образования, увеличению удовлетворенности студентов и преподавателей, а также к повышению конкурентоспособности вуза на образовательном рынке. Анализируя данные кейс-стади по вузам, можно сделать вывод о значительном влиянии инвестиций в инновационные образовательные технологии на повышение качества обучения и исследовательской деятельности. Увеличение количества международных публикаций, укрепление международных партнёрств, повышение привлекательности вузов для иностранных студентов и улучшение качества образовательных услуг являются ключевыми показателями успеха инвестиций в данную сферу.

In the modern educational paradigm of Russia, there is a significant emphasis on the integration of innovative technologies into the learning process in higher educational institutions. This process, critical for maintaining competitiveness in the global educational market, involves not only the transformation of educational methods, but also the assessment of their economic effectiveness. Materials and methods. The research is based on a case study of one of the leading Russian universities - Moscow State University. Economic analysis methods were used, including assessing the costs and benefits of introducing educational innovations, as well as surveying students and teachers to assess satisfaction with new teaching methods. Results. The results of the study confirmed that investments in innovative educational technologies lead to improved quality of education, increased satisfaction of students and teachers, as well as increased competitiveness of the university in the educational market. Analyzing case study data from universities, we can conclude that investments in innovative educational technologies have a significant impact on improving the quality of teaching and research activities. Increasing the number of international publications, strengthening international partnerships, increasing the attractiveness of universities for foreign students and improving the quality of educational services are key indicators of the success of investments in this area.
Analysis and optimization of the quality management system of higher education institutions in the context of digitalization of the educational process in Russia
Authors: Анисимов П.Ф.
Published: March 2024

Цифровизация образовательного процесса в России, активизировавшаяся в последние годы, стимулирует переосмысление и оптимизацию систем управления в высших учебных заведениях. В 2020 году, по данным Минобрнауки РФ, более 80% вузов внедрили элементы дистанционного обучения, что стало не просто ответом на пандемические вызовы, но и путём к преобразованию образовательного ландшафта. Материалы и методы. Исследование базируется на анализе актуальных данных о цифровизации образовательного процесса в России, включая статистические данные от Росстата и отчёты ведущих вузов за 2019-2022 годы. Использовались методы системного анализа, качественного и количественного исследования, а также кейс-метод для изучения успешных примеров внедрения цифровых технологий в управление учебными заведениями. Результаты. Анализ показал, что ключевым фактором успешной цифровизации является комплексный подход к преобразованию системы управления, включающий интеграцию информационных технологий во все аспекты учебного процесса. В ходе исследования были выявлены и систематизированы основные проблемы и вызовы, с которыми сталкиваются вузы на пути цифровой трансформации. Также были определены наиболее эффективные стратегии и технологические решения, используемые для оптимизации управления.

The digitalization of the educational process in Russia, which has intensified in recent years, stimulates the rethinking and optimization of management systems in higher education institutions. In 2020, according to the Ministry of Education and Science of the Russian Federation, more than 80% of universities introduced elements of distance learning, which was not just a response to pandemic challenges, but also a way to transform the educational landscape. Materials and methods. The study is based on the analysis of current data on the digitalization of the educational process in Russia, including statistical data from Rosstat and reports from leading universities for 2019-2022. The methods of system analysis, qualitative and quantitative research, as well as a case method were used to study successful examples of the introduction of digital technologies into the management of educational institutions. Results. The analysis showed that a key factor in successful digitalization is an integrated approach to the transformation of the management system, including the integration of information technology into all aspects of the educational process. During the research, the main problems and challenges faced by universities on the path of digital transformation were identified and systematized. The most effective strategies and technological solutions used to optimize management were also identified.
The Quality of School Climate and Teachers’ Classroom Communication Skills as Predictors of Pupils’ Performance in Nigeria
Authors: Sopekan Sarah Oludola , Owieadolo Ngozi Rita
Published: March 2024

This study examined the quality of school climate and teachers’ classrooms communication skills as predictors of pupils’ performance in Lagos State, Nigeria. Correlational survey research design was used for the study. The sample comprised 120 teachers who were selected from 30 primary schools. Multi-Stage sampling technique was used for the selection.  Two validated self-designed instruments were used to collect data for the study. The first one was titled“Observational Schedule on School Climate and Teachers Communication Skills (OSSCTCS). The second one was an achievement test titled” Pupil’s Achievement Test (PAT) which was used to collect data on the performance of the pupils involved in the study. OSSCTCS was subjected to a reliability test through inter-rater scale technique and it yielded a reliability coefficient of 0.82.While Kuder-Richardson 20 formula was used to determine the reliability of the achievement test. It yielded reliability index of 0.91.Data collected were analysed using inferential statistics of multiple regression. Findings from the study revealed that there was significant composite contribution of school climate and teachers’ communication skills to pupil’s performance (F(6,113) = 4.744; p<0.05). Again, school climate had the highest significant relative contribution to pupils’ performance (β = .504; t = 7.741; p<0.05) andit is followed by teachers’ communication skills which had the least non-significant relative contribution (β = .015; t = .349; p>0.05). Based on the findings of the study, it was recommended that training programs, seminars or workshops should be organised by experts in the field of early childhood education to train school heads and teachers on the importance of aesthetically designed early childhood schools. Also, that teachers should be trained on the significant of effective communication.
Ultrasonic Method on the Extraction of Fucoxanthin from Marine Macro Algae Padina Australis
Authors:   Department of Chemical Engineering, AC Tech, Anna University, India, Flora L Antony Catherine , Shanmugam Kirubanandan ,   Saveetha School of Engineering, SIMATS, Thandalam, India, Sahadevan Renganathan ,   Department of Biotechnology, A.C.Tech, Anna University, India
Published: March 2024

Macro algae is the potential feedstock of fucoxanthin production. Fucoxanthin is a bioactive pigment found in the chloroplasts of marine algae and have a considerable pharmacological property. Fucoxanthin belongs to carotenoid which plays as an important ingredient in food and pharmaceutical industries. This study explains effect of ultrasonics on the extraction of fucoxanthin from marine macro algae Padina australis. Additionally, the effect of solvents and various extraction methods for effective isolation of fucoxanthin from algae have been investigated and compared. Method 1 of Extraction of fucoxanthin from Padina australis would give 8.12 mg of fucoxanthin/g of biomass with methanol, chloroform and methanol mixture (1:1 (v/v)) and then with chloroform. The ultrasonic assisted on the method 1 would yield 16.9 mg of fucoxanthin/g of biomass confirming that the ultrasonics increased the rate of extraction than that of extraction without ultrasonics. Thus, Ultrasonic assisted extraction is a potential method for isolation of fucoxanthin from marine macro algae Padina australis effectively.
Two Years Follow-Up Outcome of Synergy™ Coronary Stent: Comparison between Case Control Study-Oriented Definition/Criterion and Real-World Results
Authors:   Asia Medical Group, Sapporo Cardiovascular Clinic, Japan, T Sugie , J Kotani ,   Asia Medical Group, Sapporo Cardiovascular Clinic, Japan, YD Kashima ,   Asia Medical Group, Sapporo Cardiovascular Clinic, Japan, Y Tadano ,   Asia Medical Group, Sapporo Cardiovascular Clinic, Japan, T Watanabe ,   Asia Medical Group, Sapporo Cardiovascular Clinic, Japan, D Hachinohe ,   Asia Medical Group, Sapporo Cardiovascular Clinic, Japan, U Kaneko ,   Asia Medical Group, Sapporo Cardiovascular Clinic, Japan, K Kobayashi ,   Asia Medical Group, Sapporo Cardiovascular Clinic, Japan, D Kanno ,   Asia Medical Group, Sapporo Cardiovascular Clinic, Japan, T Fujita ,   Asia Medical Group, Sapporo Cardiovascular Clinic, Japan
Published: March 2024

Objectives: To clarify the 2 years outcome of Bioabsorbable Polymer Everolimus-Eluting Stent (BP-EES) using several criteria/definitions. Previous reports have showed worse outcomes in Real-World (RW) setting than case-Controlled Clinical trials (CC). Methods and Materials: We studied consecutive patients who received BP-EES implantation from October 2017 through January 2018. We adopted the parameters used in previous BP-EES associated CC (SYNERGY, EVOLVE), compared the CC inclusion criteria (on-label) with others (offlabel) at 2 years follow-up. Results: There were 678 BP-EESs inserted in 437 patients (283 male, mean age 72.3±11.2 years). Data from 4 patients lacked, and therefore the follow-up rate was 99.1%. There were 381 patients (87.2%) satisfying the CC criteria. Male gender, ejection fraction <40%, smoker, multiple stenting, total stent length, target vessel failure and all death was higher in the off-label group (P<0.05). Regarding revascularization- related parameters (all target lesion/non-target lesion revascularization), there was no difference between the 2 groups (TLR 6.1% vs 3.6%, non-TL TVR 5.6% vs 10.9%; CC vs off-label, p=ns, respectively). On the other hand, comparison of TLR using the CC definition (ischemia-oriented TLR) and real-world definition (any TLR) showed approximately 2-3 times higher frequency in the real-world basis (1.6% vs 5.8% per patient basis and 2.1%vs 5.8% per stent basis). Conclusions: Different definitions for repeat angioplasty among the reports may be a key cause of the discrepancy in revascularization frequency in dug-eluting stent studies, and it is the different inclusion criteria among studies that are associated with patient vulnerability.
Recent Advances in the Pathophysiological Role of Neutrophils and Macrophages following Acute Myocardial Infarction
Authors:   Redox Biology Group, Discipline of Pathology, Faculty of Medicine and Health, Charles Perkins Centre, The University of Sydney, Sydney, Australia, H Shi , M El Kazzi ,   Redox Biology Group, Discipline of Pathology, Faculty of Medicine and Health, Charles Perkins Centre, The University of Sydney, Sydney, Australia
Published: March 2024

Acute Myocardial Infarction (AMI) is one of the leading causes of death in the world, and immune cells such as neutrophils and macrophages are implicated in its pathophysiology. Despite decades of research, there is much debate on the roles of these immune cells, however, new concepts are emerging. This review summaries the recent advances in our understanding of the involvement of neutrophils and macrophages in post-AMI cardiac healing. Recently, neutrophils and monocytes were found to begin their phenotypical transformation in the bone marrow following an AMI, before migration to the infarct region. Novel cytokines and feedback loops have been identified in coordinating the process of immune cell recruitment to the heart post-AMI including subsets of pro- and anti-inflammatory neutrophils and new pathways of WNT signalling that alter macrophage phenotypes to a pro-inflammatory phenotype. There is also an interplay between these cells during regulation of immune cell migration as neutrophils are involved in polarising macrophages toward a reparative archetype that promotes clearance of apoptotic cells and cellular debris. Resident macrophages in the pericardial cavity also showed a cardioprotective role which may have important implications in cardiac surgeries that involve removal of the pericardium.
Associations between High Sensitivity Troponin in the Emergency Department and Diagnosis of Myocarditis
Authors:   Department of Cardiology, Meir Medical Center, Tel Aviv University, Tel Aviv, Israel, E Giladi , R Ratzon ,   Department of Emergency Medicine, Meir Medical Center, Kfar Saba, Israel, Z Arow ,   Department of Cardiology, Meir Medical Center, Tel Aviv University, Tel Aviv, Israel, I Losin ,   Department of Cardiology, Meir Medical Center, Tel Aviv University, Tel Aviv, Israel, A Omelchenko ,   Department of Cardiology, Meir Medical Center, Tel Aviv University, Tel Aviv, Israel, D Pereg ,   Department of Cardiology, Meir Medical Center, Tel Aviv University, Tel Aviv, Israel, A Assali ,   Department of Cardiology, Meir Medical Center, Tel Aviv University, Tel Aviv, Israel, Y Arnson ,   Department of Cardiology, Meir Medical Center, Tel Aviv University, Tel Aviv, Israel
Published: March 2024

Background: The diagnosis of myocarditis is challenging, and typically relies on clinical presentation, non-invasive imaging, and serum biomarkers. We examine if implementation of hsTnT has affected recognition of myocarditis and patient outcomes. Methods: Retrospective analysis of >18-year-old patients diagnosed with myocarditis in Meir Medical Center since January 2000 to the end of April 2020. Patients were divided based on their diagnosis date - up to January 2014, for which there was a regular troponin test (REG group) and starting February 2014 for which there was a hsTnT test (HS group). We examined the difference in the rate of myocarditis diagnosis, mortality, and hospitalizations due to heart failure. Results: We identified 262 patients who were diagnosed with myocarditis. There were no significant differences between the groups. After the implementation of hsTnT there was a two-fold increase in the diagnosis rate (0.0366 vs. 0.0625 cases per day; P<0.0001). The REG group presented with more ST changes (51% vs. 29%; p=0.006) and less cases of normal heart function (69% vs. 79%; P=0.048). There was a higher mortality rate in HS group (6 deaths vs. 2; p=0.011). Conclusions: hsTnT test leads to increase in myocarditis diagnosis and allows for diagnosing more mild case.
A Case of Immune Thrombocytopenia in an Elderly Vaccinated Patient Following COVID-19 Infection
Authors:   Clinical Associate Professor of Medicine, Division of Hematology/Oncology, Department of Medicine, Buffalo General Hospital, USA, A Islam
Published: March 2024

We report on an elderly fully vaccinated patient with coronavirus 19 (COVID-19) who contracted severe thrombocytopenia and responded well to high-dose prednisone and intravenous immunoglobulin. This is perhaps the first reported case in the literature of the development of profound thrombocytopenia in a fully vaccinated COVID-19 patient. The favorable outcome in this patient may be attributed to his earlier full vaccination against COVID-19.
An Interesting Case of Breast Implant-Associated Anaplastic Large Cell Lymphoma
Authors:   Department of Medicine, State University of New York Upstate Medical University, USA, C Hernandez , B KC ,   Department of Medicine, State University of New York Upstate Medical University, USA, M Costaldi ,   Department of Pathology, State University of New York Upstate Medical University, USA, K Ghimire ,   Department of Hematology and Oncology, State University of New York Upstate Medical University, USA
Published: March 2024

Breast Implant-Associated Anaplastic Large Cell Lymphoma (BIA-ALCL) is a T-cell non-Hodgkins lymphoma that is a rare complication seen with textured breast implants. We describe the case of a 49-year-old woman with a past medical history of stage IIA infiltrating ductal carcinoma of the right breast status post bilateral mastectomy followed by chemotherapy and radiation therapy. The patient subsequently had textured implants bilaterally placed. Thirteen years later, she presented with right breast soreness with edema; pathology confirmed BIA-ALCL.
Behind the Eye: Exploring the Threat of Subconjunctival Cysticercosis
Authors:   Department of Ophthalmology A, Specialty Hospital, Rabat, Morocco, Elbelidi Hala , Taha Baiz ,   Department of Ophthalmology A, Specialty Hospital, Rabat, Morocco, Saoiabi Yahya ,   Department of Ophthalmology A, Specialty Hospital, Rabat, Morocco, Cherkaoui Lalla Ouafa ,   Department of Ophthalmology A, Specialty Hospital, Rabat, Morocco
Published: March 2024

This report presents a rare case of a 25-year-old man with a Taenia solium worm found under the conjunctiva of his left eye. The patient had experienced redness, pain, itching, and epiphora in the affected eye. Subsequent examination revealed conjunctival congestion and a moving whitish linear formation, which was diagnosed as subconjunctival ocular parasitosis. The patient underwent successful surgical removal of the parasite and recovered without complications. The report highlights the importance of early diagnosis and prompt treatment to prevent permanent vision loss in cases of ocular parasitosis.
A Case of Bronchobiliary Fistula Treated by Percutaneous Endobiliary Fistula Closure
Authors:   Department of Interventonal Medicine, Zhongshan People’s Hospital, Guangdong 528400, China, Jian Zhang , Zhipeng Lin ,   Department of Interventonal Medicine, Zhongshan People’s Hospital, Guangdong 528400, China, Xugong Zou ,   Department of Interventonal Medicine, Zhongshan People’s Hospital, Guangdong 528400, China, Xiaolong Hu ,   Department of Interventonal Medicine, Zhongshan People’s Hospital, Guangdong 528400, China, Dabei Huang ,   Department of Interventonal Medicine, Zhongshan People’s Hospital, Guangdong 528400, China, Yuan Chen ,   Department of Interventonal Medicine, Zhongshan People’s Hospital, Guangdong 528400, China, Xiaoqun Li ,   Department of Interventonal Medicine, Zhongshan People’s Hospital, Guangdong 528400, China
Published: March 2024

Bronchobiliary fistula is a rare clinical condition with a characteristic clinical presentation of coughing bile-like sputum, which seriously affects the patient’s quality of life. We report a case of a 60-year-old male patient with bronchobiliary fistula who was successfully treated with percutaneous hepatic puncture to closure the endobiliary fistula. The patient was followed up for 3 months without recurrence of bile-like sputum.
Liquid-Liquid Transition and Ice Crystallization in a Machine-Learned Coarse grained Water Model
Authors: Dhabal Debdas , Kumar Rajat , Molinero Valeria
Published: March 2024

Mounting experimental evidence supports the existence of a liquid-liquid transition (LLT) in high-pressure supercooled water. However, fast crystallization of supercooled water has impeded identification of the LLT line TLL(p) in experiments. While the most accurate all-atom (AA) water models display a LLT, their computational cost limits investigations of its interplay with ice formation. Coarse-grained (CG) models provide over 100-fold computational efficiency gain over AA models, enabling the study of water crystallization, but have not yet shown to have a LLT. Here we demonstrate that the CG machine-learned water model ML-BOP has a LLT that ends in a critical point at pc = 170±10 MPa and Tc = 181±3 K. The TLL(p) of ML-BOP is almost identical to the one of TIP4P/2005, adding to the similarity in the equation of state of liquid water in both models. Cooling simulations reveal that ice crystallization is fastest at the liquid-liquid transition and its supercritical continuation of maximum heat capacity, supporting a mechanistic relationship between the structural transformation of water to a low-density liquid and ice formation. We find no signature of liquid-liquid criticality in the ice crystallization temperatures. ML-BOP repli-cates the competition between formation of low-density liquid (LDL) and ice observed in ultrafast experiments of decompres-sion of the high-density liquid (HDL) into the region of stability of LDL. The simulations reveal that crystallization occurs prior to the coarsening of the HDL and LDL domains, obscuring the distinction between the highly metastable first order LLT and pronounced structural fluctuations along its supercritical continuation.
DyFeO3 electrode material with ultra-wide voltage window for aqueous symmetric supercapacitors
Authors: Tarek Mohasin , Yasmeen Ferdous , Basith M.A.
Published: March 2024

Aqueous supercapacitors (SCs) encounter limitations in operational voltage and energy density due to the low decomposition voltage of water. Here, we fabricate aqueous symmetric supercapacitors (ASSCs) employing DyFeO3 as an electrode material. This hybrid SC in a 0.5 M Na2SO4 aqueous electrolyte exhibits a significantly high working voltage of 2.5 V, with an energy density of 41.81 W h kg-1 at a power density of 1250 W kg-1, maintaining 94% capacitance retention after 5000 cycles. By incorporating 20% volume of acetonitrile with water in the electrolyte, we extend the potential window to 3.1 V, with an energy density of 84.43 W h kg-1 at a power density of 1550 W kg-1. The as-fabricated ASSC shows promising stability during a 300-hour float voltage test with almost intact capacitance retention and Coulombic efficiency. For the first time, our study unveils the potential of porous DyFeO3 as an electrode material for advancing ASSCs, featuring an unprecedented ultra-wide voltage window, along with significantly large energy and power densities.
Chirality Sensing in Coordination-driven Supramolecular Assemblies
Authors: PAUL ABHIK , Roy Subhadip
Published: March 2024

Chirality is a widespread structural characteristic found in nature and plays a vital role in the structure and functioning of almost all biological systems. Nevertheless, the translation of chirality into synthetic systems is highly intricate, yet captivating, as it not only applies fundamental understanding but also has the potential to tackle significant difficulties in biochemistry and medicine. Structurally, the process of coordination-driven self-assembly involves the organization of basic molecular components into well-defined porous homochiral metal-organic cages (MOCs). This allows for a systematic investigation of the enantioselective processes occurring within the nanocavities, which have limited space and specific chiral microenvironments. This article aims to provide a comprehensive summary of the recent advancements in supramolecular chirality generated in the fascinating class of porous MOCs. It will cover the synthesis and characterization of these materials, as well as the implications of their stereochemical information in terms of chiral recognition and enantio-separation. Subsequently, a subjective viewpoint will be presented regarding the potential, possibilities, and significant challenges in the future advancement of this domain, aiming to expand the progress in creating novel chiral functional materials in the realm of chemistry and beyond.
Trapping Highly Reactive Photo-Induced Charge-Transfer Complex Between Amine and Imide by Light
Authors: Huang Wenhuan , Zhang Xiaolong , Su Hao , Zhang Baicheng , Feng Airong , Jiang Jun , Chen Biao , Zhang Guoqing
Published: March 2024

Complexation between two organic molecules can occur either for strong electron donor-acceptor pairs in the ground state known as charge-transfer complexes (CTCs), or for pairs of lesser strength in the excited state such as excimers and exciplexes. However, the characterization of chemically distinct CTCs in solution remains elusive. Here, we report a light-induced, solution-persistent 1:1 CTC between an amine and an imide. The pair is not associated in the ground state at room temperature prior to light exposure. The presence and exact molecular compositions of the CTCs could be directly obtained from high-resolution mass spectrometry. Additional spectroscopic and computational evidence reveals that a kinetically trapped ground-state pair is formed following an exciplex-like process between the amine and the imide after photo-excitation. We show that such a photo-induced complex can be used to conduct photochemistry and store photon energy for producing otherwise photochromic products in the dark.
The Development of the QM/MM Interface and Its Application for the on-the-fly QM/MM Nonadiabatic Dynamics in JADE Package: Theory, Implementation and Applications
Authors: Huang Haiyi , Peng Jiawei , Gu Feng Long , Lan Zhenggang , Xu Chao
Published: March 2024

Understanding the nonadiabatic dynamics of complex systems is a challenging task in computational photochemistry. Herein, we present an efficient and user-friendly quantum mechanics/molecular mechanics (QM/MM) interface to run on-the-fly nonadiabatic dynamics. Currently, this interface consists of an independent set of codes designed for general-purpose use. Herein, we demonstrate the ability and feasibility of the QM/MM interface by integrating it with our long-term developed JADE package. Tailored to handle nonadiabatic processes in various complex systems, especially condensed phases and protein environments, we delve into the theories, implementations, and applications of the on-the-fly QM/MM nonadiabatic dynamics. The QM/MM approach is established within the framework of the additive QM/MM scheme, employing electrostatic embedding, link-atom inclusion, and charge-redistribution schemes to treat the QM/MM boundary. Trajectory surface-hopping dynamics are facilitated using the fewest switches algorithm, encompassing classical and quantum treatments for nuclear and electronic motions, respectively. Finally, we report simulations of nonadiabatic dynamics for two typical systems: azomethane in water and the retinal chromophore PSB3 in a protein environment. Our results not only illustrate the power of the QM/MM program but also reveal the important roles of environmental factors in nonadiabatic processes.
Photochemical PFAS Degradation in Ion Exchange Resin Regeneration Brine: Effects of Water Matrix Components and Technical Solutions
Authors: Rao Dandan , Liu Jinyong
Published: March 2024

Ion-exchange (IX) is an effective method for PFAS removal from water and wastewater, but the treatment of concentrated PFAS from IX resin regeneration remains a major technical barrier. This study investigates the challenges and solutions associated with photochemical treatment of waste brines from resin regeneration. We first tested the defluorination of perfluorooctanoic acid (PFOA) by UV/sulfite/iodide in synthetic solutions containing individual inorganic and organic species. We identified NO3−, NO2−, and natural organic matter (NOM) as the major inhibitors. NO3− and NO2− quenched hydrated electron (eaq−), but they could be readily removed by increasing the sulfite dose. We used humic acid as a representative NOM. It significantly slowed down defluorination but can be readily removed by ferric flocculation without removing PFOA. The integration of flocculation and UV/S/I treatment successfully treated two waste brines, which primarily contained short-chain PFAS. PFAS removal achieved >99% within 20 hours. The maximum defluorination reached 85% and 70% for the two waste brines, respectively. This study advances UV technologies for PFAS destruction and enhances the sustainability of ion-exchange resin for PFAS removal.
Hydroselenation of Simple Olefins: Elucidating the β-Selenium Radical Effect
Authors: Phun Gabriel , Slocumb Hannah , Nie Shaozhen , Ruud Kirsten , Antonio Cheyenne , Furche Filipp , Dong Vy , Yang Xiao-Hui
Published: March 2024

We report a light-promoted hydroselenation of alkenes with high anti-Markovnikov selectivity. Spectroscopic, kinetic, and computational mechanistic studies indicate that blue light activates an aryl diselenide to generate a seleno radical; this radical adds into an alkene to form a β-seleno carbon radical. Subsequent hydrogen atom transfer (HAT) generates the linear selenide with high selectivity in preference to the branched isomer. These studies reveal a unique β-selenium effect, where a selenide β to a carbon radical imparts high anti-selectivity for radical addition through delocalization of the HAT transition state.
Simultaneously Utilizing Excited Holes and Electrons for Piezoelectric-Enhanced Photoproduction of H2O2 from S-Scheme 2D S-doped VOx/g-C3N4 Nanostructures
Authors: Toan Huynh Phuoc , Nguyen Duc-Viet , Minh Phan Pham Duc , Anh Nguyen Hoai , Phuong Ly Pho , Pham Minh-Thuan , Hur Seung Hyun , Ung Thuy Thi Dieu , Bich Do Danh , Vuong Hoai Thanh
Published: March 2024

The simultaneous use of excited holes and electrons in photocatalytic research has become a strong driving force for rationalizing materials in design and development. As a promising strategy, step-scheme (S-scheme) photocatalysts have enormously ignited the photocatalytic community in recent decades. Introducing piezoelectric fields under light irradiations to generate valuable chemical products, such as hydrogen peroxide (H2O2), has also gained current interest in enhancing the large-scale production of these chemicals. In the research, we reported the fabrication of 2D S-doped VOx deposited on 2D g-C3N4 to produce H2O2 via the piezo-photocatalytic process. The finding pointed out that adding sulfur to VOx can help improve the catalytic outcomes by modifying the electronic and morphological properties of pristine VOx. In addition, when coupled with g-C3N4, the presence of sulfur limits the formation of graphene in the VOx/g-C3N4 composites, causing shielding effects in the materials. Besides, the research also sheds light on the charge transportation between g-C3N4 and S-VOx under irradiation and how the composites work to trigger the formation of H2O2. It turned out that the formation of H2O2 significantly relies on the reduction of oxygen to generate oxygenic radical species at g-C3N4 sites. Meanwhile, S-VOx provides oxidative sites in the composites to oxidize water molecules to generate H2O2. This study confirms the validation of S-scheme piezo-photocatalysts, thus encouraging further research on developing heterojunction materials with high catalytic efficiency, which can be used in practical conditions.
One-step Hydrothermal Synthesis of Sn-doped Sb2Se3 for Solar Hydrogen Production
Authors: Wang Zhenbin , Bae Sanghyun , Baljozović Miloš , Adams Pardis , Yong David , Service Erin , Moehl Thomas , Niu Wenzhe , Tilley David
Published: March 2024

Antimony selenide (Sb2Se3) has recently been intensively investigated and has achieved significant advancement in photoelectrochemical (PEC) water splitting. In this work, a facile one-step hydrothermal method for the preparation of Sn-doped Sb2Se3 photocathodes with improved PEC performance was investigated. We present an in-depth study of the performance enhancement in Sn-doped Sb2Se3 photocathodes using capacitance-voltage (CV), drive level capacitance profiling (DLCP), and electrochemical impedance spectroscopy (EIS) techniques. The incorporation of Sn2+ into the Sb2Se3 results in increased carrier density, reduced surface defects, and improved charge separation, thereby leading to improved PEC performance. With a thin Sb2Se3 absorber layer (270 nm thickness), the Sn-doped Sb2Se3 photocathode exhibits an improved photocurrent density of 17.1 mA cm−2 at 0 V versus RHE (VRHE) compared to that of the undoped Sb2Se3 photocathode (14.4 mA cm−2). This work not only highlights the positive influence of Sn doping on Sb2Se3 photocathodes but also showcases a one-step method to synthesize doped Sb2Se3 with improved optoelectronic properties.
Non-bonded force field parameters from MBIS partitioning of the molecular electron density improve thermophysical properties prediction of organic liquids
Authors: Pulido Jorge , Macaya Luis , Vöhringer-Martinez Esteban
Published: March 2024

The accuracy of predicting thermophysical properties through molecular dynamics simulations is constrained by the precision of models used to describe molecular interactions. The Open Force Field initiative has established a computational structure to develop new models and introduced two non-polarizable force fields, Parsley and Sage. Sage version 2.0.0 focused on refining Lennard-Jones parameters to reflect thermophysical properties accurately. In this context, we evaluate the ability of our introduced D-MBIS non-bonded force field parameters to replicate liquid densities and enthalpies of evaporation of 49 neutral compounds from the ThermoML database using the openff-evaluator package. Our findings confirm that our ab-initio derived non-bonded force field parameters accurately mirror both thermophysical properties with a high degree of precision.
Effect of Alkali Metal Cations and Trace Metal Impurities on Cathodic Corrosion of Gold Electrode Surfaces
Authors: Elnagar Mohamed M. , Kibler Ludwig A. , Jacob Timo
Published: March 2024

Cathodic corrosion, a phenomenon critical for understanding the stability and performance of metal electrodes during several energy conversion reactions, is known to be influenced by various factors including the nature and concentration of alkali metal cations. However, a clear understanding of this behavior has not yet been developed. Through a comprehensive investigation of cathodic corrosion of Au electrodes as a function of the identity of alkali metal hydroxides (LiOH, NaOH, KOH, and CsOH) at different concentrations and various negative potentials, we reveal that the interfacial water adlayer's structure and the ratio of free water as well as water bound in hydration shells control the overall cathodic corrosion behavior, alongside with the specific adsorption of alkali metal cations. Moreover, we highlight the crucial role of electrolyte cleanliness, particularly regarding the presence of trace metal impurities, in accurately assessing the proper effects of alkali metal cations on cathodic corrosion. Interestingly, the presence of trace amounts of nickel and iron in as-received CsOH suppresses cathodic corrosion by their deposition onto Au surfaces. In contrast, after purification, the polarization of Au surfaces in 10 M CsOH leads to the formation of nanoporous surfaces with high electrochemically active surface area, in which the degree of porosity can be tuned by varying the polarization time at –1.6 V vs. RHE. This work contributes to the understanding of how alkali metal cations and metal impurities affect the cathodic corrosion of Au surfaces and offers practical guidelines for nanostructuring and facetting Au electrodes.
A qualitative comparison of 3D visualization in Xenopus laevis using a traditional method and a non-destructive method
Authors: Descamps Emilie , Buytaert Jan , De Kegel Barbara , Dirckx Joris , Adriaens Dominique
Published: March 2024

Many tools are currently available to investigate and visualize soft and hard tissues in animals both in high-resolution and three dimensions. The most popular and traditional method is based on destructive histological techniques. However, these techniques have some specific limitations. In order to avoid those limitations, various non-destructive approaches have surfaced in the last decades. One of those is micro-CT-scanning. In the best conditions, resolution achieved in micro-CT currently approaches that of standard histological protocols. In addition to bone, soft tissues can also be made visible through micro-CT-scanning. However, discriminating between structures of the same tissue and among different tissue types remains a challenge. An alternative approach, which has not yet been explored to its full potential for comparative anatomy studies, is Orthogonal-Plane Fluorescence Optical Sectioning (OPFOS) microscopy or tomography, also known as (Laser) Light Sheet based Fluorescence Microscopy (LSFM). In this study, we compare OPFOS with light microscopy, applying those techniques to the model organism Xenopus laevis. The potential of both methods for discrimination between different types of tissues, as well as different structures of the same tissue type, is tested and illustrated. Since the histological sections provided a better resolution, adjacent structures of the same tissue type could be discerned more easily compared to our OPFOS images. However, we obtained a more naturally-shaped 3D model of the musculoskeletal system of Xenopus laevis with OPFOS. An overview of the advantages and disadvantages of both techniques is given and their applicability for a wider scope of biological research is discussed.
Distribution and ecology of mosquito larvae (Diptera: Culicidae) in Flanders (Belgium)
Authors: Lock Koen , De Koninck Wouter , Adriaens Tim , Goethals Peter L.M.
Published: March 2024

Short notes don’t have an abstract.
The Critical Role of Middle Leaders in Schools: Cultivating a Culture of Trust and Supporting Educational Reform
Authors: Fang Xingyun , Wang Jianli
Published: March 2024

This research delves into the often-underappreciated role of middle leaders in educational organizations, highlighting their significance as the linchpins between senior leadership and classroom teachers. Utilizing qualitative research methods, the study investigates the multifaceted responsibilities, challenges, and contributions of middle leaders in schools. Findings indicate that middle leaders foster a culture of trust within the institution by providing mentorship and guidance to new teachers. They undertake substantial tasks, such as team coordination, grade direction, and student supervision, in addition to their teaching duties. Despite their pivotal role, middle leaders often face mounting pressures and heavy workloads. This research underscores the need to recognize and support middle leaders in educational settings, acknowledging their vital role in fostering cohesion and facilitating the implementation of educational reforms.
Peace Education Programme in Kenya and UNICEF’s Reinforcement
Authors: Rasari Yosephine Michelle
Published: March 2024

As a region prone to conflict, an Introduction to peace is mainly essential for Kenya. The government projects that education can build a peaceful Kenya. As a result, the government is allocating an amount of budget to improve education in Kenya especially in eradicating violence and maintaining peace – especially, post-election violence and sexual abuse. The government has also adopted a UNICEF program, the Peace Education Program (PEP). The government's ambition is limited to designing a system that is only effective in some areas. Therefore, UNICEF complements the government’s effort to carry out policies of a peaceful education system and conduct action research. The efforts coming from the cooperation between UNICEF and the Kenyan government will also be adjusted to the Neoliberal institutionalism theory. This theory is essential to adjust the role of UNICEF in empowering and assisting the Kenyan government while Kenya still upholds its own interests. This paper will mainly focus on the research of the Peace Education Program in Kenya and how UNICEF assist and support its implementation.
Keywords: Peace Education Program (PEP);Kenya; Children; UNICEF
Meninjau Keuntungan dan Tantangan Indonesia selaku Ketua ASEAN Summit 2023 atas Kerja Sama IMT-GT dalam Kaitan BRI (Belt and Road Initiative)
Authors: Yolin Theresia Kariani , Rantepadang Fenny Novita
Published: March 2024

IMT-GT dan BRI merupakan kerja sama internasional yang bertujuan untuk meningkatkan pertumbuhan ekonomi dan konektivitas. Penelitian ini dilatarbelakangi untuk meninjau keuntungan dan tantangan Indonesia selaku pihak yang bekerja sama dengan IMT-GT dan BRI serta kedudukannya sebagai Ketua ASEAN Summit 2023. Globalisasi membuat kerja sama dan ketergantungan antar negara semakin tidak bisa dihindarkan sehingga keterbukaan tersebut memberikan peluang sekaligus tantangan bagi negara dan organisasi. Didirikannya program BRI menjadi tantangan tersendiri bagi ASEAN baik secara langsung maupun melalui kerja sama IMT-GT yang merupakan program kerja sama dari tiga anggota ASEAN. Tiongkok sebagai salah satu hegemoni ekonomi dunia saat ini melalui program BRI dapat mempengaruhi IMT-GT dan ASEAN secara keseluruhan dalam hal kapasitas dan efektivitas kawasan. Penelitian ini bertujuan untuk meninjau pengaruh kebijakan BRI terhadap kerja sama IMT-GT yang berpeluang meningkatkan aksesibilitas kawasan dan berdampak baik pada pertumbuhan ekonomi negara-negara sejalan dengan tujuan IMT-GT. Namun, keberadaan BRI juga memberikan tantangan terhadap IMT-GT berupa ketergantungan terhadap Tiongkok serta berkemungkinan berimbas pada kualitas kerja sama IMT-GT. Penelitian ini menggunakan metode kualitatif deskriptif analitis dengan data bersifat sekunder. Hasil dari penelitian ini menunjukkan bahwa BRI berkemungkinan memberikan dampak bagi relasi antar negara ASEAN, ketergantungan terhadap Tiongkok, dan berpengaruh terhadap kapasitas dan efektivitas kawasan ASEAN.
Kata Kunci: IMT-GT; BRI; Efektivitas Kawasan; Konektivitas
PENDAPATAN SISTEM TANAM MONOKULTUR DAN TUMPANGSARI JAGUNG DAN LOMBOK PADA LAHAN SAWAH TADAH HUJAN
Authors: Mado Irwan , Utami Rahmawati Ning , Husain Nailah
Published: March 2024

Sistem tanam memiliki arti penting dalam produksi tanaman, penganekaragaman jenis tanaman yang diusahakan merupakan suatu upaya untuk mengoptimalkan daya dukung lahan terhadap usaha pemanfaatannya. Sistem tanam  tumpangsari dilakukan terutama dalam hubungannya dengan pemanfaatan sumberdaya lahan yang lebih efisien dan peningkatan produksi, sehingga  pendapatan atau keuntungan yang diperoleh petani lebih tinggi dibanding sistem tanam monokultur.Tujuan dari penelitian ini yaitu menentukan pendapatan petani dalam sistem tanam monokultur jagung dan lombok, serta sistem tanam tumpangsari jagung dan lombok yang dlakukan pada lahan sawah tadah hujan serta kelayakan dari kedua sistem tanam tersebut.Penelitian dilaksanakan di Desa Pa’bundukang Kecamatan Bontonompo Kabupaten Gowa Sulawesi Selatan,  berlangsung dari  bulan Mei  sampai September 2022.  Pelaksanaan penelitian dimulai dari pengolahan tanah, pembersihan sisa-sisa tanaman, selanjutnya pembuatan petak-petak percobaan dengan ukuran 3,0  x 3,6 meter.  Jumlah petak percobaan sebanyak sembilan petak, yaitu petak  monokultur jagung (JJ), monokultur lombok (LL) dan tumpangsari jagung dan lombok (JL) setiap petak diulang sebanyak tiga kali, sehingga terdapat sembilan petak percobaan.  Penanaman benih jagung dan lombok dua biji perlubang kemudian dilakukan pemeliharaan,  penyiangan dilakukan sesering mungkin atau sesuai dengan kondisi munculnya gulma yang tumbuh pada lahan tersebut, selanjutnya pengendalian hama dan penyakit serta pemupukan.  Pemupukan urea pada  jagung diberikan sebanyak 300 kg per hektar, dengan melakukan tiga kali pemupukan, yaitu sepertiga pada saat tanaman jagung ditanaman, sepertiga saat tanaman jagung berumur 30 hari, dan sepertiga saat tanaman jagung berumur 45 hari,  pemupukan TSP sebanyak 75 kg per hektar dan KCl 50 kg per hektar yang diberikan seluruhnya pada saat tanam jagung.  Kemudian untuk tanaman lombok dipupuk dengan urea 75 kg per hektar, TSP 50 kg per hektar dan KCl 50 kg per hektar yang diberikan seluruhnya pada saat tanam lombok.   Pengamatan produksi jagung dan lombok dilakukan secara ubinan, yaitu konversi dari luas petak percobaan kesatuan hektar.  Analisis pendapatan dilakukan untuk mengetahui pendapatan dari sistem penanaman secara tumpangsari dan monokultur.  Selanjutnya untuk mengetahui kelayakan dari kedua sistem tanam tersebut  digunakan analisis kelayakan  (R/C rasio).Hasil penelitian menunjukkan bahwa sistem tanam tumpangsari jagung dan lombok memberikan pendapatan yang lebih tinggi, yaitu sebesar Rp.82.759.950 dari sistem tanam monokultur jagung dan monokultur lombok, yaitu masing-masing Rp. 10.394.450 dan Rp.77.197.000.  Analisis kelayakan dari sistem tumpangsari jagung dan lombok juga lebih tinggi dan lebih menguntungkan dengan nilai  R/C rasio 7,156 dibanding sistem tanam monokultur jagung dan lombok, masing-masing  nilai R/C rasionya adalah 1,885 dan 5,528.