bluuebunny/crossref_metadata_2025 huggingface dataset:
Multi-Objective Robust Trajectory Design for Powered Descent and Landing
Authors: Calkins Grace E. , Putnam Zachary R. , Woffinden David C.
Published: April 2024

A robust trajectory optimization approach for guidance algorithm gain and target vector selection for powered descent and landing is developed. A genetic algorithm is used to determine optimized guidance algorithm parameters to minimize the impact of initial condition, environment, navigation, and vehicle property uncertainty on flight performance for a given sensor suite. Vehicle state uncertainties are computed efficiently using linear covariance analysis techniques. When implemented in the guidance algorithm, the optimized gains and target vectors shape a trajectory that has more favorable conditions for a given navigation sensor suite, resulting in improved flight performance. As a demonstration of this method, the optimized guidance parameters are found for a multiphase trajectory from powered descent initiation to touchdown for a robotic lunar landing mission. Single-objective optimization results demonstrate a reduction in uncertainty and an improvement in nominal performance. Multi-objective optimization results showing the tradeoff between terminal position uncertainty and total propellant usage are presented for multiple sensor suite compositions. Further, guidance parameters selected using the developed robust trajectory design approach may enable acceptable flight performance with fewer and/or lower-quality sensors. The resulting Pareto fronts present the optimal trade space early in the mission design process to enable informed decision-making.
Analysis of Sleep Quality and Positive and Negative Emotions among Trainee Nursing Students
Authors: Xiao Liu
Published: April 2024

Objective: To investigate the current situation of sleep quality and may analyse the correlation between sleep quality and positive and negative emotions. Methods Using the convenient sampling method, the Pittsburgh Sleep Quality (PSQI) scale and the positive and negative emotion scale, we selected the nursing students who worked in a Grade A hospital in Beijing from July 2022 to January 2023. Results PSQI score (8.63 ± 4.06), factors score subjective sleep quality (1.49 ± 0.99), time to sleep (1.54 ± 0.9), sleep time (1.23 ± 0.93), sleep efficiency (1.27 ± 1.07), sleep disorder (1.02 ± 0.7), hypno-drugs (0.37 ± 0.81), daytime dysfunction (1.44 ± 0.8). Positive emotions (26.8 ± 5.61) and negative emotions (27.4 ± 2.74), Pearson correlation analysis found that except for "sleep time", positive emotions of trainee nursing students showed a significantly negative correlation with PSQI total score, subjective sleep quality, sleep time, sleep efficiency, sleep disorder, hypnotic medication, and daytime dysfunction; negative emotions positively correlated with seven factors and total PSQI score. Conclusion The sleep quality of nursing students is generally poor. Expressing positive emotions is conducive to improving the sleep quality of nursing students, and negative emotions reduce the sleep quality of nursing students.
Perbandingan Algoritma Machine Learning menggunakan Orange Data Mining untuk Klasifikasi Jenis Kendaraan pada Sistem Tilang Digital
Authors: Pranadjaya Egipta , Pangestu Evan Sudira , Sereati Catherine Olivia , Octaviani Sandra , Darmawan Marten
Published: April 2024

Tulisan ini membahas tentang penerapan aplikasi Orange Data Mining untuk membandingkan beberapa algoritma pembelajaran mesin untuk mengklasifikasikan jenis kendaraan pada sistem tiket digital. Penelitian ini membandingkan dan menganalisa algoritma logistik regression,  Support Vector Machine (SVM) dan Neural Network (NN) untuk memecahkan masalah klasifikasi kendaraan pada tilang digital. Data set diambil dari website Kaggle, dan metode validasi menggunakan Confussion matrix. Hasil penelitian menunjukkan bahwa pada proses training dan berdasarkan dataset yang digunakan, algoritma yang memiliki tingkat akurasi dari yang tertinggi adalah Logistic Regression, Neural Network dan Support Vector Machine. Sedangkan pada proses testing, seluruh algoritma pada model mampu melakukan klasifikasi dengan akurasi yang sempurna.
Implantação dos serviços para enfrentamento a COVID-19 em uma capital do nordeste brasileiro
Authors: Lima Herika do Nascimento , Cardoso Aline Costa , Andrade Cinthia Rafaela Amaro Gonçalves , Costa Laís de Miranda Crispim , Lira Letycia Beatriz Souza de
Published: April 2024

Objetivo: Compartilhar a experiência acerca das estratégias da APS no controle/acompanhamento da pandemia do novo coronavírus através da implantação de Centros de Atendimento (CA). Relato de experiência: A implantação dos CA foi direcionada por enfermeiras da gestão municipal de saúde. A localização dos CA foi definida a partir da análise dos boletins epidemiológicos. O fluxo de atendimento realizado foi baseado no fast track, possibilitando maior agilidade no atendimento, mitigando as filas de espera, aglomerações e evitando o contágio entre pacientes. O atendimento ao usuário era realizado de maneira integral por equipe multiprofissional. Os CA se destinaram ao atendimento de casos leves e moderados de COVID-19, ofertando serviços de exames laboratoriais e teste rápido ou RT-PCR; encaminhamentos para exames de imagens; observação e administração de medicação e transferência de usuários com sinais de gravidade. Considerando a ocorrência de sequelas dos sintomas decorrentes da COVID-19, foi implantada uma Linha de Cuidado com o objetivo de viabilizar a continuidade da assistência. Considerações finais: A implantação dos CA à COVID-19 interferiu significativamente na organização da APS para o enfrentamento à pandemia. A experiência se mostrou exitosa, pois demonstrou a rápida resposta da APS mantendo a integralidade das ações de saúde.
Ações de controle e manejo da Covid-19 na população em situação de rua em Belém-PA
Authors: Cardoso Rayane Franklin Mourão , Lobato Ana Flávia Teles , Maciel Thanaira Aicha Fernandes , Peixoto Ivonete Vieira Pereira , Caldas Samantha Pereira , Xavier Marília Brasil
Published: April 2024

Objetivo: Identificar as ações de controle e manejo da COVID-19 na População de Rua em Belém-PA com base nos relatos da equipe de Consultório na Rua do Município. Métodos: Trata-se de um estudo descritivo, com abordagem qualitativa, com a estratégia de coleta de dados em entrevista semiestruturada aos profissionais das Equipes de Consultório na Rua do Município de Belém atuantes no atendimento da População em Situação de Rua no período de fevereiro à dezembro de 2020. A análise dos dados se deu por meio da Análise de Conteúdo proposta por Bardin, com o auxílio do Software IRaMuTeQ para a codificação dos dados, mediante a análise de Classificação Hierárquica Descendente. Resultados: Da análise dos dados emergiram duas categorias de discussão “Ações de controle e manejo da Covid-19 na população em situação de rua e o papel do profissional multidisciplinar” e “As dificuldades e potencialidades da equipe multiprofissional com atuação em populações vulneráveis em tempos de pandemia”. Conclusão: Apesar dos desafios e limitações, diversas ações foram realizadas no intuito de mitigar o impacto da Covid-19 na população em situação de rua de Belém. Percebe-se a necessidade do fortalecimento de ações intersetoriais e ressalta-se o protagonismo da equipe de Consultório na Rua para Sistematização do cuidado.
Lesões de pele causadas pelo uso de EPIs durante a pandemia
Authors: Xavier Pedro Bezerra , Ferreira Mariana Angelica , Negreiros Rosângela Vidal de , Macêdo Lívio Pereira de , Pereira Ana Aurilia Romao de Souza , Freire Luísa Aryadna Feitosa , Bezerra Laura Cristina de Carvalho Zaglout , Souto Eliane Nogueira de Souza , Santos Eurípedes Donizete dos , Silva Rayssa Burity de Farias
Published: April 2024

Objetivo: Identificar os comportamentos adotados pelos profissionais para prevenir e tratar lesões de pele em decorrência do uso de Equipamentos de Proteção Individual (EPIs). Métodos: Foi realizada uma revisão integrativa da literatura, do tipo qualitativa, seguindo as etapas do Joanna Briggs Institute: formulação da questão de pesquisa, seleção e avaliação de documentos, e descrição dos dados. A pesquisa foi feita entre junho e outubro de 2023, usando bases de dados: PubMed e CAPES​​. A pesquisa perfez um total de 89 artigos, sendo selecionados 12 como amostra final. Resultados: Os estudos foram analisados, revelando que condições dermatológicas pré-existentes, gênero feminino e uso prolongado de EPIs são fatores de risco para eventos relacionados à pele. Foi identificada uma alta incidência de danos na pele devido ao uso contínuo de máscaras, e as estratégias para a prevenção dessas lesões incluíam o uso de curativos profiláticos e a limitação do tempo de uso de máscaras FFP3​​. Considerações finais: O estudo destacou a importância de uma remoção cuidadosa dos EPIs e a adoção de práticas de autocuidado pelos profissionais de saúde. Sugere-se a divisão de turnos de 8 horas em duas equipes para evitar a exposição prolongada e os riscos associados ao uso contínuo de EPIs.
A rare case of recurrent biballism
Authors: Banik Ankur , Pal Moukoli , Pal Sandip , Dutta Indranil , Chattopadhyay Amrit
Published: April 2024

Diabetic striatopathy (DS) is a relatively new entity with growing literature expanding our knowledge of the same. It is commonly seen in elderly Asian females with long-term uncontrolled type 2 diabetes mellitus presenting with hemichorea or hemiballism with characteristic reversible imaging findings involving various basal ganglia structures. While various different types of presentations with variable responses to therapy in terms of treatment modality and recovery time have been reported, there is very little data on the recurrence of this entity. We, hereby, present an interesting case of DS, which had a rare presentation in the form of biballism. Our patient had an initial swift recovery with glycemic control alone and thereafter a ropinirole-induced recurrence in spite of good glycemic control, which was rather difficult to control. This case emphasizes the need for clinicians to be aware of the various presentations of DS and to be cautious in the use of drugs with the potential to cause movement disorders in such a patient.
Implementasi Program Keluarga Harapan Di Desa Ciwangi Kecamatan Balubur Limbangan Kabupaten Garut
Authors: Hariandja Immanuel Gok Asiniroha , Didin Muhafidin
Published: April 2024

This research was conducted with the aim of understanding the implementation of the Family Hope Program (PKH) in the Ciwangi Village, Balubur Limbangan District, Garut Regency. Several issues were identified in the implementation process, causing it to not run smoothly. This was due to various factors related to policy substance, the behavior of implementers, network interaction, target group participation, and resources in the implementation in Ciwangi Village, Balubur Limbangan Subdistrict, Garut Regency. The theory used in this research is the policy implementation theory proposed by Muchlis Hamdi (2014), which consists of policy substance, the behavior of implementers, network interaction, target group participation, and resources. This research utilized a qualitative research method with data collection techniques through observation, interviews, and documentation. The informant selection technique employed was purposive sampling, with a total of 8 informants. The findings indicate that the implementation of the Family Hope Program in Ciwangi Village, Balubur Limbangan District, Garut Regency, has not fulfilled several factors crucial for the success of policy implementation. However, there are also factors that have been fully met, such as policy substance and network interaction.
Kapasitas Pemerintah Desa Mekarsari Kecamatan Selaawi Dalam Mewujudkan Desa Sadar Hukum
Authors: M. A Raynanda  , Karlina Nina
Published: April 2024

Legal awareness plays an essential role in achieving legal values and goals. This awareness becomes the basis for realizing the values of legal certainty, usefulness, justice and legal objectives for general prosperity. The Regulation of the Minister of Law and Human Rights of the Republic of Indonesia stipulates that public legal awareness includes understanding and compliance with legal norms. The Legal Awareness Subdistrict/Village Program (DSH), which began in the 1980s, aims to increase residents' legal awareness through outreach by the Ministry of Law and Human Rights. In an effort to increase legal awareness, the government formed Legally Aware Families (Kadarkum) and Legally Aware Villages/Subdistricts. The Legal Awareness Family Competition, as held in several regions in Indonesia, involves the community in increasing their understanding of the law through various competitions. This research describes the capacity of the Mekarsari Village Government in realizing a Legally Aware Village, involving aspects of strategic leadership, organizational structure, human resources, financial management, infrastructure and program management. Despite facing limitations, Mekarsari Village has succeeded in creating an environment that prioritizes legal understanding and has become an example for other villages in strengthening legal awareness at the local level.
Peran Masyarakat Dalam Pengembangan Daerah Wisata Tukad Bindu Kota Denpasar
Authors: I Nyoman Oka Prajanata , Utari Dewi Nyoman Diah , Sri Widnyani Ida Ayu Putu
Published: April 2024

The development of the tourism industry makes the Denpasar City Government need innovation in finding tourism potential and increasing the number of tourist visits, but in its development, Tukad Bindu tourism objects have not fully become a superior tourist attraction. This can be seen from the lack of maintenance and maintenance of existing facilities and the number of people who do not maintain the cleanliness of Tukad Bindu. The purpose of this study is to determine the participation of the community in maintaining and managing Tukad Bindu tourism objects and the impact on the community on the existence of this tourist attraction. The method used is a qualitative approach, using secondary data sources and data collection techniques for literature studies and documentation. The results obtained include: first, the community's efforts in managing Tukad Bindu are reflected in the establishment of the Tukad Bindu Foundation. This foundation was originally a community that was later formed legally. Until now the Tukad Bindu Foundation has collaborated with various Regional Apparatus Organizations Denpasar City, Universities in Bali and river communities throughout Indonesia. In addition to aiming to preserve the river, the construction of Tukad Bindu is also to provide education to the community related to Community Based Tourism, namely community-based tourism. Second, the existence of Tukad Bindu tourism objects has an impact on the economy, social, and environment of the surrounding community.
Implementasi Program Siap Akta Kelahiran Dan Kartu Identitas Anak (Program Si Adik) Pada Tingkat Sekolah Dasar Di Dinas Kependudukan Dan Pencatatan Sipil Kota Binjai
Authors: Cindy Cindyayudiamatra , Trimurni Februati
Published: April 2024

The government always strives to improve the quality of public services provided to the community, one of which is administrative services. Regulation of the Minister of Home Affairs (Permendagri) Number 19 of 2018 concerning Improving the Quality of Population Administration Services in the Population and Civil Registration Office of the Regency / City quickly and precisely through integrated services and / or pick up the ball for the fulfillment of ownership of resident identity. Therefore, the Binjai City Population and Civil Accounting Service issued a program, namely the Ready for Birth Certificates and Child Identity Card (SI ADIK Program) in realizing the improvement of the quality of population administration services through integrated services. The method used in this study is a descriptive method with a qualitative approach. The data collection techniques are interviews, observations and documentation. The results showed that the implementation of the Ready for Birth Certificate and Child Identity Card Program (SI ADIK program) at the Binjai City Population and Civil Registration Service was still not optimal. This can be seen from the need to increase socialization to the target parties of the program, then increase existing resources both in terms of quantity and quality. It requires the commitment and readiness of implementers of effective programs and mechanisms.
Tinjauan Kebijakan: Evaluasi Efektivitas Upaya Penanggulangan Bencana di Desa Ciwangi
Authors: Ritonga Abraham
Published: April 2024

Ciwangi Village in Garut Regency, has the potential for disasters such as earthquakes, floods, and landslides. Therefore, evaluating the effectiveness of disaster management efforts in Ciwangi Village is crucial for mitigating risks and protecting local communities. This research aims to explore the dynamics of disasters that occurred in Ciwangi Village and evaluate the level of effectiveness of mitigation policies, starting from the structural level to the village. This research uses qualitative methods by reviewing Regional Regulations (Perda) related to disaster management in Ciwangi Village, Garut Regency. The review was carried out using in-depth interviews, observations, and document analysis. The analysis was carried out by detailing the implementation of the Sendai Framework for Disaster Risk Reduction (SFDRR) principles at the local level. The results of the analysis are then linked to Chamber Theory to evaluate the effectiveness of policy coordination and implementation at the village level. The research results show that disaster mitigation efforts in Ciwangi Village are still weak in terms of understanding disaster risk, disaster risk management, investment in disaster risk reduction, and disaster preparedness.
Pengaruh Inovasi Pada Aplikasi Access by KAI Terhadap Kualitas Pelayanan
Authors: Rima Nurmalah  , Muhibudin Wijaya Laksana  , Hilma Mutiara Winata
Published: April 2024

Innovation in the Access by KAI application aims to provide better services to the public. However, this innovation encounters several issues such as limited technological access by the public, policy non-inclusivity, and lack of effectiveness in socialization efforts. Therefore, this study aims to investigate the impact of innovation in the Access by KAI application on service quality. Additionally, it aims to determine the effective contribution of innovation dimensions in the Access by KAI application to service quality. This research utilizes an associative method with a quantitative approach. Data was collected through observation and questionnaire results, while data analysis employed robust M-estimation regression. The results indicate that the quality of public service innovation is very high, and the quality of m-service is high. Furthermore, public service innovation obtains significant variable coefficient values at a significant level (α=0.05). This is indicated by the p-value of the public service innovation variable being 0.000<0.05, showing the influence of public service innovation on m-service quality in the Access by KAI application. The effective contribution of each dimension of public service innovation to m-service quality is as follows: relative advantage dimension 0.48%, compatibility dimension 29.03%, complexity dimension 14.22%, testability dimension 9.83%, and observability dimension 8.39%.
تحليل كتاب كيمياء"4" في ضوء متطلبات منحى العلوم والتقنية والهندسة والرياضيات STEM بالمملكة العربية السعودية (بناء تصور مقترح)
Authors: العتيبي مها محمد شمروخ , الحربي عبدالله عواد عبدالله
Published: April 2024

هدف البحث إلى التعرف على درجة توافر متطلبات منحى العلوم والتقنية والهندسة والرياضيات STEM بكتاب كيمياء"4" للمرحلة الثانوية في السعودية، وإعداد قائمة بمتطلبات منحى العلوم والتقنية والهندسة والرياضيات STEM، وطرح تصور مقترح لتطوير كتاب كيمياء"4" في ضوء متطلبات منحى STEM. اعتمد البحث المنهج الوصفي، مستخدمة أحد أنواعه؛ وهو (تحليل المحتوى)، تتمثل عينة البحث في كتاب الطالب كيمياء"4" المقرر على المرحلة الثانوية طبعة 1443ه-2021م، ومن أبرز النتائج التي توصلت لها الدراسة التالي: جاءت درجة توافر متطلبات منحنى STEM بمحتوى كتاب كيمياء "4" المقرر على الصف الثالث الثانوي بدرجة (متوسطة) بمتوسط حسابي بنسبة (16.6%) لجميع الوحدات الدراسية، وجاء ترتيب الوحدات من حيث ترتيب درجة توافر المتطلبات الرئيسية لمنحى STEM بكتاب كيمياء "4" المقرر على الصف الثالث الثانوي كالتالي (السادسة، الخامسة، الأولى، الثانية، الثالثة، الرابعة)، وجاء متطلب " التأكيد على مهارات القرن الحادي والعشرين."، في الترتيب الأول بدرجة (عالية جدا) من حيث درجة التوافر بجميع وحدات الكتاب وذلك بنسبة (34.3%)، وجاء متطلب " التمركز حول الخبرة المفاهيمية المتكاملة "، في الترتيب الثاني بدرجة (عالية جدا) من حيث درجة التوافر بجميع وحدات الكتاب وذلك بنسبة (32.0%)، جاء متطلب " تضمين موضوعات العلوم التقنية المعاصرة."، في الترتيب السادس والاخير بدرجة (منخفضة جدا) من حيث درجة التوافر بجميع وحدات الكتاب وذلك بنسبة (3.4%).
Ethical Issues Related to Low Performance Among Saudi Students in the Trends in International Mathematics and Science Study (TIMSS)
Authors: Almazroo Noha Ali
Published: April 2024

Education represents one of the central processes of human life. Ethics, currently, has a significant role in all aspects of life. Therefore, ethics is considered as one of the main components of any teaching process all over the world. Teachers are responsible for the education and culture of the new generation; therefore, they have to act as role models to protect the discipline, culture, and honour of the school without compromising educational goals. Therefore, it is clear that ethics could be considered an integral part of a teaching career. This paper aims to reveal the reasons behind low achievement in the TIMSS tests among Saudi students and to propose ways to overcome such a problem. Analysis of the available literature showed that the main reasons behind student’s low achievement in TIMSS tests in Saudi Arabia could be attributed to several reasons including Lack of self-efficacy in teachers, Lack of teachers’ quality, Lack of differentiation methods in teaching, and Lack of knowledge to employ technology. Solutions to enhance student’s accomplishments in such examinations are suggested and explained. The solutions include that teachers must be willing to participate in school decision-making, create an appropriate learning environment, actively contribute to the implementation of the school curriculum, use effective educational strategies, engage in continuous professional development, and activate professional communities. Further research is needed to examine these points in detail and suggest successful ways to be applied to improve these areas.
AIMNet2: A Neural Network Potential to Meet your Neutral, Charged, Organic, and Elemental-Organic Needs
Authors: Anstine Dylan , Zubatyuk Roman , Isayev Olexandr
Published: April 2024

Machine learned interatomic potentials (MLIPs) are reshaping computational chemistry practices because of their ability to drastically exceed the accuracy-length/time scale tradeoff. Despite this attraction, the benefits of such efficiency are only impactful when an MLIP uniquely enables insight into a target system or is broadly transferable outside of the training dataset, where models achieving the latter are seldom reported. In this work, we present the 2nd generation of our atoms-in-molecules neural network potential (AIMNet2), which is applicable to species composed of up to 14 chemical elements in both neutral and charged states, making it a valuable model for modeling the majority of non-metallic compounds. Using an exhaustive dataset of 20 million hybrid quantum chemical calculations, AIMNet2 combines ML-parameterized short-range and physics-based long-range terms to attain generalizability that reaches from simple organics to diverse molecules with “exotic” element-organic bonding. We show that AIMNet2 outperforms semi-empirical GFN-xTB and is on par with reference density functional theory for interaction energy contributions, conformer search tasks, torsion rotation profiles, and molecular-to-macromolecular geometry optimization. Overall, the demonstrated chemical coverage and computational efficiency of AIMNet2 is a significant step toward providing access to MLIPs that avoid the crucial limitation of curating additional quantum chemical data and retraining with each new application.
Finnee 2024 – a Matlab toolbox for untargeted analysis of LC-HRMS datasets with MS1 scans acquired as continuous scans.
Authors: Erny Guillaume
Published: April 2024

Metabolite identification and quantification in biological samples are crucial for understanding biochemical processes, disease mechanisms, and biomarker discovery. While targeted metabolomics focuses on specific compounds, untargeted metabolomics comprehensively assesses the entire metabolome. Liquid chromatography hyphenated with high-resolution mass spectrometry (LC-HRMS) has become a powerful tool for untargeted metabolomics due to its ability to detect various chemicals. LC-HRMS combines liquid chromatography's separation capabilities with mass spectrometry's high-resolution mass analysis. MS1 spectra, acquired in LC-HRMS, provide detailed mass-to-charge ratio information for detected ions, enabling simultaneous profiling of metabolites without prior knowledge of their structures or retention times. Pre-processing steps and feature detection algorithms are applied to raw MS1 spectra, facilitating downstream analysis, including statistical analysis, metabolite annotation, and pathway mapping. The choice between profile and centroid scans for MS1 data acquisition entails trade-offs in resolution, data complexity, and processing requirements. Several software tools have been developed to handle LC-HRMS data, providing functionalities for pre-processing, peak detection, metabolite identification, and statistical analysis. This article presents Finnee2024, a Matlab toolbox for analysing profile scan-based MS1 data. The toolbox allows good coverage, low false positives, and improved visualisation and control of extracted features. It offers enhancements over previous versions, facilitating faster calculations and leveraging the advantages of profile scans. The article highlights the changes in Finnee2024 using datasets from a comparative study of software packages, demonstrating its performance and usability.
Practical synthesis of 7-bromo-4-chloro-1H-indazol-3-amine: an important intermediate to Lenacapavir
Authors: Asad Naeem , Lyons Michael , Muniz Machado Rodrigues Shirley , Burns Justina , Roper Thomas , Laidlaw George , Ahmad Saeed , Gupton B. Frank , Klumpp Douglas , jin limei
Published: April 2024

7-Bromo-4-chloro-1H-indazol-3-amine is a heterocyclic fragment used in the synthesis of Lenacapavir, a potent capsid inhibitor for the treatment of HIV-1 infections. In this manuscript, we describe a new approach to synthesizing 7-bromo-4-chloro-1H-indazol-3-amine from inexpensive 2,6-dichlorobenzonitrile. This synthetic method utilizes a two-step sequence including a regioselective bromination and heterocycle formation with hydrazine to give the desired product in an overall isolated yield of 38-45%. The new protocol has been successfully demonstrated on hundred-gram scales without the need of column chromatography purifications. This new synthesis provides a potential economical route to large scale production of this heterocyclic fragment of Lenacapavir.
Highly Dispersed ZnO Sites in a ZnO/ZrO2 Catalyst Promote the CO2-to-Methanol Reaction
Authors: Zhang Xibo , Yu Xiang , Mendes Rafael G. , Matvija Peter , Melcherts Angela E.M. , Sun Chunning , Ye Xinwei , Weckhuysen Bert M. , Monai Matteo
Published: April 2024

ZnO/ZrO2 catalysts have shown excellent activity in the CO2 hydrogenation to methanol compared with single component counterparts, but the interaction between ZnO and ZrO2 is still poorly understood. In particular, the effect of the ZrO2 support phase (tetragonal vs. monoclinic) was not systematically explored. Here, we have synthesized ZnO/ZrO2 catalyst materials supported on tetragonal ZrO2 (ZnO/ZrO2-t) and monoclinic ZrO2 (ZnO/ZrO2-m), which resulted in the formation of different ZnOx species, consisting of sub-nanometer ZnO moieties and large-sized ZnO particles, respectively. ZnO/ZrO2-t exhibited much higher methanol selectivity (81 %) and methanol yield (1.25 mmol/g/h) compared with ZnO/ZrO2-m (39 % and 0.67 mmol/g/h). The difference in performance was attributed to the redox state and degree of dispersion of Zn, based on spectroscopy and microscopy results. Operando diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and in situ near ambient pressure X-ray photoelectron spectroscopy (NAP-XPS) showed that ZnO/ZrO2-t had a high density of ZnO-ZrO sites, which favored the formation of active HCOO* species and enhanced the yield and selectivity of methanol along the formate pathway. Operando UV-Vis diffuse reflectance spectroscopy (UV-Vis DRS) together with Raman spectroscopy and high-angle angular dark field-scanning transmission electron microscopy (HAADF-STEM) combined with energy dispersive X-ray (EDX) analysis revealed that on ZnO/ZrO2-t, ZnO clusters were further dispersed during catalysis at 320 °C, forming high density of ZnO-ZrO sites, and facilitating the hydrogenation of CO2 to methanol, while larger ZnO particles on ZnO/ZrO2-m remained stable throughout the reaction. This study shows that the phase of ZrO2 supports can be used to control the dispersion of the active phase and lead to enhanced catalytic performance. We believe the insights are relevant for other methanol synthesis catalysts, where metal-support interactions are pivotal for catalyst activity and stability.
Deep Learning for Molecular Orbitals
Authors: King Daniel , Grzenda Daniel , Zhu Ray , Hudson Nathaniel , Foster Ian , Gagliardi Laura
Published: April 2024

The advancement of deep learning in chemistry has resulted in state-of-the-art models that incorporate an increasing number of concepts from standard quantum chemistry, such as orbitals and Hamiltonians. With an eye towards the future development of these deep learning approaches, we present here what we believe to be the first work focused on assigning labels to orbitals, namely energies and characterizations, given the real-space descriptions of these orbitals from standard electronic structure theories such as Hartree-Fock. In addition to providing a foundation for future development, we expect these models to have immediate impact in automatizing and interpreting the results of advanced electronic structure approaches for chemical reactivity and spectroscopy.
Enantioconvergent carbenoid insertion into carbon−boron bonds
Authors: Xie Qiqiang , Tugwell Thomas , Li Jiahao , Liu Peng , Dong Guangbin
Published: April 2024

Boron-mediated homologation can potentially access almost any kind of chiral centers from readily available boronates via asymmetric carbenoid insertion, followed by versatile transformations of the carbon−boron bonds. However, the current asymmetric boron homologation strategies exhibit limitations, and enantioselective insertion of diversely substituted carbenoids remains challenging. Here we report an enantioconvergent approach for direct insertion of carbon-, oxygen-, nitrogen-, sulfur-, and silicon-substituted carbenoids into carbon−boron bonds. The excellent enantioselectivity is enabled by a new class of chiral oxazaborolidines derived from inexpensive α-amino esters. Computational studies revealed that the non-C2-symmetric oxazaborolidine features a puckered geometry and the cooperative effects of multiple substituents create an asymmetric environment for effective enantioinduction. This method is scalable, and each chiral center can be independently controlled by the chiral oxazaborolidine without being influenced by nearby stereocenters. Besides forming singular chiral centers, iterative operations of this asymmetric homologation simplify synthesis of complex molecules with multiple stereocenters.
ЧИСЛЕННОЕ ИССЛЕДОВАНИЕ СОЛИТОННЫХ РЕШЕНИЙ НЕЛИНЕЙНОГО УРАВНЕНИЯ ШРЁДИНГЕРА С ТРЕМЯ НЕЛИНЕЙНОСТЯМИ
Authors: Медведев В. А. , Кудряшов Н. А.
Published: April 2024

Рассматривается задача распространения оптических импульсов, описываемая обобщенным уравнением Шрёдингера с нелинейными членами третьего, пятого и седьмого порядков. Методами неявных функций и простейших уравнений получено аналитическое решение в виде уединенной волны, и определены условия его существования. Представлена модификация метода Фурье для численного решения задачи распространения оптических импульсов при периодических граничных условиях. Численно исследован процесс распространения построенного оптического солитона. Дано сравнение аналитического решения с результатами численных расчетов. Изучен процесс распространения оптического солитона исследуемого уравнения при возмущении начальных данных. Выполнены расчеты распространения импульса в среде со случайным шумом. Показано, что полученное аналитическое решение устойчиво. Проанализировано влияние нелинейных членов пятой и седьмой степеней на распространение уединенных волн нелинейного уравнения Шрёдингера. Изучены процессы столкновения солитонов нелинейного уравнения Шрёдингера при влиянии нелинейных членов пятой и седьмой степеней. Показано, что столкновения носят неупругий характер.
ВЫЧИСЛИТЕЛЬНЫЕ СХЕМЫ ВЫЯВЛЕНИЯ АНОМАЛЬНЫХ ВЫБРОСОВ В ЗНАЧЕНИЯХ ТЕКУЩИХ ПОКАЗАНИЙ ПАЦИЕНТА ПРИ ИСКУССТВЕННОЙ ВЕНТИЛЯЦИИ ЛЕГКИХ
Authors: Климанов С. Г. , Крянев А. В. , Трикозова В. А. , Царева Д. Д.
Published: April 2024

Искусственная вентиляция легких (ИВЛ) считается одним из важнейших методов интенсивной терапии, входящим в комплекс мер по поддержанию жизненно важных функций организма в критических состояниях. В связи с созданием интеллектуальных режимов вентиляции легких, повышающих эффективность управления аппаратами ИВЛ, необходимо разработать и применить различные вычислительные схемы обработки данных значений текущих показателей пациента при ИВЛ.  В статье рассматривается проблема выявления аномальных выбросов и нивелирования их отрицательного влияния на выделяемые значимые характеристики рассчитываемых показателей, необходимых для принятия оптимальных значений параметров вентиляционного потока, обеспечивающих наиболее эффективное лечение пациента. Для решения поставленной задачи в статье рассматриваются и применяются несколько так называемых робастных методов и основанных на них вычислительных схем выделения аномальных выбросов в значениях показателей состояния  пациента и определения их будущих значений.
Women teachers' attitudes and aspirations towards participation in school leadership positions
Authors: Deki  , Karma Sonam Rigdel
Published: April 2024

Globally, there is an augmentation of women's participation in leadership positions in various organizations, yet representation of women in the main decision-making body is still a problem and Bhutan is not an exception. In the context of the under representation of women in school leadership positions, the study was carried out to explore the attitudes and aspirations of women teachers towards school leadership positions in western Bhutan. The study employed a convergent mixed-method design to comprehend the problem of the research. The data was collected using survey questionnaires and Focus Group Discussions [FGD]. Descriptive statistics were employed to analyze the attitudes and aspirations of women teachers towards school leadership positions. The findings of the study revealed that women teachers have a positive attitude towards school leadership positions (Mean = 5.48, SD = 0.28). The qualitative findings also supported this positive predisposition. Most of FGD participants expressed confidence in their ability to be effective leaders. However, a significant proportion (42.3%) indicated a lack of aspiration for leadership roles. Additionally, the study identified barriers such as family responsibilities, societal stereotypes, and educational qualifications that hinder women's aspirations for leadership roles. Based on the findings of the study, recommendations for practical implementation and potential avenues for future research are put forward.
Exploring the unnoticed holes: Implementation challenges of social safety-nets in coastal Bangladesh
Authors: Tanvir Mosharof Khan , Rabiul Islam , Tarik Aziz
Published: April 2024

Like other coastal countries, Bangladesh is also facing the numerous adversities raised from natural disasters and climate change hazards. The present study examines the implementation challenges in disaster affected areas and identifies the possible ways to make the social safety-nets (SSNs) more effective in coastal Bangladesh. Using a qualitative approach, data were collected from Raruli and Vobanipur villages at Paikgaccha Upazilla in Khulna district through Focus Group Discussions (FGDs), Key Informant Interviews (KII) and observation. This study found that Bangladesh provides these (SSNs; e.g. VGF, GR, TR, CoDRH, FFW/FW and EGPP) in the coastal areas during the religious festivals and normal and emergency period as well to alleviate poverty, decrease food crisis, reduce disaster risks and climate vulnerabilities. Additionally, the traditional 'top down' approach for selecting beneficiaries and the existing distribution process creates obstacles to find out the actual targeted people. Findings show there are some challenges (e.g. faulty beneficiary targeting process, complex selection criteria, excessive political interference, mal-functioning of local committee, location of the support distribution center etc.) especially during the implementation phases. This study argues that as a good initiative of the government, the local people do not get the utmost benefits from the SSNPs and there is discrimination in the community in selecting beneficiaries. The study suggests that, to achieve the ultimate goals of SSNPs, such as reducing corruption and political interference, the local beneficiary selection committee should function properly.
Gender in science textbooks
Authors: Divya Martin , Asha J. V.
Published: April 2024

Education is universally acknowledged to benefit individuals and promote national development. If we envision a world that values equality, tolerance and the well-being of all those who live in it, then we need to instill these values in young minds through education in a proper way. It is the educational institutions that mould children's ideas, beliefs, and attitudes and experiences, which they are likely to carry throughout their life. The educational system mostly relies on textbooks that are largely accessed by students and teachers across the country for conveying knowledge and values. Textbooks are a basic vehicle of socialization and have economic and ideological implications. While going through various science textbooks it was felt that gender concerns have not been integrated in a meaningful manner. It may give rise to gender inequalities, i.e. differences between men and women that systematically favor one group. Gender refers to the socially constructed roles, behavior, activities and attributes that a given society at a given time and place considers appropriate for men and women, and boys and girls and the relationships between them. To inculcate a culture of gender equality, science textbooks need to be revised to sieve out words, phrases disparaging women, use of gender-biased visuals, distinct roles and behaviors that are defined for boys and girls, and men and women in a society. Educators and textbook illustrators need to make conscious efforts to overcome the gender biases that creep into science textbook besides science content, by keeping the concepts of gender in mind. The aim of this paper is to consider the overall environment of the science textbooks in relation to gender, and to explore the possibilities of how the textbooks can be used as a powerful lever of social change in propagating gender equality and universal values.
Dispensing of attention-deficit hyperactivity disorder medications for adults in Aotearoa New Zealand
Authors: Beaglehole Ben , Jarman Stephen , Frampton Chris
Published: April 2024

aim: To report dispensing trends for attention-deficit hyperactivity disorder (ADHD) in Aotearoa New Zealand, focussing on adults in order to highlight increasing demand for ADHD treatment by adults and to prompt discussion. method: Demographic and dispensing data for ADHD were obtained from the Pharmaceutical Collection between the years 2006 and 2022. This was stratified according to child (<18 years) and adult (≥18 years) populations. Population dispensing rates for methylphenidate and atomoxetine were calculated. Key findings are reported to reveal demographic and dispensing trends for medication treated ADHD in Aotearoa New Zealand. results: More males are dispensed ADHD medication than females, although this is less evident for adults (54.8% male). Māori adults are dispensed ADHD medication at a lower rate (10.1%) than Māori children (22.9%). There was a 10-fold increase in dispensing of ADHD medication for adults compared to a three-fold increase for children over the study period. New dispensing for adults doubled between 2011 and 2022. conclusion: Medication treatment for adult ADHD is increasing in Aotearoa New Zealand and includes treatment for persisting childhood ADHD and new diagnoses made in adulthood. Despite increases, dispensing rates for ADHD remain lower than prevalence estimates, suggesting a significant treatment gap. Addressing the treatment gap for ADHD may reduce negative effects of ADHD, but wider social influences should also be considered.
Health impacts of war: case studies of New Zealand veterans of the First World War
Authors: Wilson Nick , Summers Jennifer , Clement Christine , Thomson George
Published: April 2024

aim: Armed conflict remains a tragic feature of the modern world and so it is necessary to continue to study its health impacts. Even the study of historical conflicts is relevant given that certain health impacts are common to most wars e.g., post-traumatic stress disorder (PTSD). methods: This study built on a previous quantitative analysis of a randomly selected group of 200 New Zealand veterans from the First World War (WWI). From this sample we selected 10 cases that illustrated particular themes around morbidity impacts. results: The theme of severity of impacts was illustrated with a case who was severely wounded and died from suicide when back in New Zealand, and another case with severe PTSD. The theme of the high frequency of non-fatal conditions was revealed with cases illustrating new diagnoses (a case with n=8 diagnoses), hospitalisations for new conditions (n=6), non-fatal injury events (n=3) and for sexually transmitted infections (n=3). The theme of chronic debility as a consequence of various conditions was illustrated with cases who had suffered from being gassed or having gastroenteritis, malaria or pandemic influenza. conclusion: These 10 selected cases reiterate how severe and extensive the morbidity burden for military personnel in WWI could be. Also illustrated is how the morbidity could contribute to adverse impacts on some of their lives after returning to New Zealand.
Lesser omentum of white rats: structural and functional characteristics
Authors: Maksymenko O.S. , Stupak D.S. , Hryn V.H.
Published: April 2024

Background. According to the literature, all mammals have two omenta, one of which is the greater omentum and the other one is the lesser omentum, but white rats have two additional derivatives of the visceral peritoneum, homologous in structure to the greater omentum - called the epididymal omentum. Today, the greater omentum is comprehensively studied and arouses great interest among researchers, in turn, the lesser omentum is not popular among scientists, as a result of which many details of its anatomical and histological structure remain undisclosed. Objective. To study the morpho-functional features of the structure of the lesser omentum of white rats through a bibliographic analysis of the literature. Methods. This bibliographic analysis is based on published articles, books, textbooks, and monographs. The search for which was carried out on the worldwide network "Internet" in the scientific and metric databases of Google Scholar, Web of Science and PubMed, foreign sources of literature and the National Library of Medicine. Results. The lesser omentum is formed due to the successive transition of the duplication of the peritoneum, from the lower surface of the liver to the lesser curvature of the stomach and duodenum. At the small curvature of the stomach, the leaves that form the lesser omentum diverge and cover the front-upper and back-lower walls of the stomach. The lesser omentum consists of the hepatogastric ligament, which is an extremely thin and transparent membrane, and a thicker, transparent membrane - the hepatoduodenal ligament, which is attached to the duodenum. Microscopically, it consists of two main structural elements: thin fenestrated translucent membranes and adipose tissue-rich areas containing milky spots that may play a role in the immune defense of the peritoneal cavity. Conclusion. So, according to the analysis, the lesser omentum mainly performs a connecting role and provides support and stabilization of the organs of the abdominal cavity between which it is located.
Epidemiological data, etiology, pathogenesis, risk factors, clinical manifestations, modern methods of diagnosis and treatment, prediction of the course of multiple myeloma (literature review)
Authors: Savuliak H.R. , Novak V.L.
Published: April 2024

Background. Multiple myeloma (MM) is a neoplastic disease with a multistage course characterized by uncontrolled, multifocal proliferation of monoclonal plasma cells in the bone marrow, which produce monoclonal immunoglobulin or only its fragments, which lead to destruction of bone tissue and organ damage. Quite high rates of both morbidity and mortality from MM require more careful attention and deeper scientific research of this problem. Objective of the article is to investigate the epidemiology, etiology, pathogenesis, risk factors, clinical manifestations, modern methods of diagnosis and treatment, and also prediction of the course of MM. Methods. The following research methods were used: search, extraction and processing of information; assessment of the quality of sources; systematic literature review; content analysis. Research materials are thematic publications of ukrainian and foreign scientists. Results. MM accounts for ~1% of all malignant neoplasms and ~14% of hematological neoplasms worldwide. Etiological factors of MM: genetic predisposition, bacterial or viral infections, ionizing radiation, carcinogenic toxins. The clinical syndrome of MM is characterized by hypergammaglobulinemia, hypercalcemia, susceptibility to infections, and pathological fractures. Diagnosis of MM includes: general analysis of peripheral blood; diagnosis of serum and urine proteins; aspiration biopsy and trepanobiopsy of bone marrow; cytogenetic and molecular diagnostics; other laboratory diagnostics; radiography, CT, MRT and PET-CT. The main methods of treatment of MM: radiation therapy, chemotherapy, combined CT with the inclusion of new drugs, HDCT + autologous THSC. Prediction of the course of MM depends on the R-ISS stage, LDH level and high-risk cytogenetics. Conclusion. During the last years of modern oncohematology, we observe scientific achievements in the diagnosis and treatment of MM. A thorough study of the epidemiology, etiology and pathogenesis, risk factors and clinical manifestations of MM contribute to effective diagnosis and selection of the optimal treatment strategy and tactics, as well as determining the prognosis of the course of MM.