bluuebunny/crossref_metadata_2025 huggingface dataset:
Anatomi Bisnis Plan
Authors: Nurhaida Dida , Arsiyanti Fauziah , Munawar Muhammag Agil
Published: September 2023

Business Model Canvas (BMC) merupakan alat representasi visual yang dapat menggambarkan proses bisnis secara komprehensif. BMC membantu pelaku usaha memahami peta bisnis tanpa harus membuat dokumen rencana bisnis. Kegiatan Pengabdian Kepada Masyarakat (PkM) ini bertujuan untuk mendeskripsikan dan mengimplementasikan strategi model bisnis dengan pendekatan BMC yang dapat diterapkan oleh UMKM untuk memastikan keberhasilan dan pertumbuhan bisnis yang berkelanjutan. Pendampingan dan pelatihan diberikan kepada 14 (empat belas) orang wirausaha muda. Pelatihan dilaksanakan secara kolaboratif antara Dosen Fakultas Ekonomi dan Bisnis, Universitas Trisakti sebagai pemateri pertama, konsultan keuangan dari PT. Fahima Advisory  sebagai pemateri kedua, dan Mikkha Education sebagai penyelenggara sekaligus pengumpul audiens. Pelatihan dilaksanakan secara daring melalui platform Mikkha Education. Hasil yang diperoleh membuktikan bahwa  terdapat perubahan yang signifikan dalam peningkatan pemahaman peserta yang ditunjukkan oleh perbedaan antara nilai rata-rata sebelum dan sesudah pelatihan yang meningkat secara signifikan. Adapun hasil evaluasi terhadap penyelenggaraan kegiatan berdasarkan kuesioner umpan balik dari peserta, menunjukkan bahwa materi yang disampaikan sangat bermanfaat dan sesuai dengan kebutuhan peserta. Begitupun relevansi antara kompetensi tim PkM dengan materi yang disampaikan sangat sesuai. Dari hasil yang diperoleh diharapkan peserta mampu mengimplementasikan materi yang diberikan sehingga berhasil dalam usaha yang ditekuninya dan tumbuh secara berkelanjutan.
O CONTATO, A TROCA E A EXPERIÊNCIA NA PESQUISA EM EDUCAÇÃO: CARTOGRAFIA E ESCRITA AGONÍSTICA COMO MÉTODOS POSSÍVEIS
Authors: Brandão Lucas Leon Vieira de Serpa , Cardoso Fernando da Silva
Published: September 2023

As metodologias utilizadas nas pesquisas em educação seguem diferentes concepções que, de modo geral, têm abarcado métodos que preveem, entre outros aspectos, procedimentos racional-estruturalistas, a comunicação e divulgação científica de resultados desde o mero julgamento dos conhecimentos produzidos, a adoção de uma postura acrítica, a seletividade de dados e o reforço na noção de controle pelo pesquisador, bem como o alargamento de teorias eurocentradas na interpretação dos dados. Nesse sentido o presente ensaio teórico parte de um desdobramento de uma pesquisa mais ampla em andamento e que versa sobre a utilização da cartografia enquanto caminho e desde as articulações sugeridas por Deleuze e Guattari (2011). Articulamos, também, a escrita agonística, pensada a partir de Nietzsche (2011), como trajeto para (re)pensar o método na pesquisa em educação, buscando, assim, ancoragens teóricas que permitam ressaltar direcionamentos que constituam elementos não-reducionistas para os estudos que se utilizam das referidas perspectivas. Evidencia, por fim, a valorização dos processos subjetivos na pesquisa, considerando-os como elementos para a análise e a compreensão do processo de investigação como experiência e experimento de si, para além da mera construção e reunião de evidências.
TDAH
Authors: Mattos Paulo , Malloy-Diniz Leandro Fernandes
Published: September 2023

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Accessibility, Independence and Impartiality of the Traditional Court System
Authors: Madondo Isaac
Published: September 2023

A few metrics of procedural indigeneity such as accessibility, expeditiousness, informality, affordability, and lack of “cumbersomeness” account for the traditional court system’s suitability as a system for resolving conflicts among black, poor, marginalised and disadvantaged African communities. As a system that regulates the legal affairs of groups that constitute the majority of the South African population, traditional courts are a perfect instrument for catering for the needs of the mostly unsophisticated black citizens. These qualities by far outweigh the system’s relative weakness when it comes to the attributes of independence and impartiality of its courts, both of which—commendable as they are—are less necessary in a system that is based on communal participation and collective negotiation. Judicial independence and impartiality interpreted and understood in relation to the Western concept of the separation of powers is alien to the customary legal system. Traditional courts are community-based, characterised by open justice, and designed to settle disputes in their defined areas of jurisdiction. They were established from time immemorial for such purpose and, to further its colonial objectives, the colonial government recognised them through the enactment of the Black Administration Act, 38 of 1927. There was a complete disregard for the views of the adherents to customary legal systems when legislating on the system and people's lives. The promulgation of such an Act brought about legal dualism in South Africa: common law and customary law. The Black Administration Act was enacted to administer the affairs of blacks and control the administration of traditional institutions and courts. The Black Administration Act discriminated between litigants based on race and dispensed inferior justice to blacks. During the apartheid system, various discriminatory laws were promulgated, resulting in the establishment of homelands and independent states within South Africa. This gave rise to disparate laws governing black people and their court system. The Constitution and the legislation specifically dealing with the customary legal system have ended discriminatory laws and social order that characterised colonialism and apartheid. Traditional courts are well-placed to create, enhance, and facilitate access to courts for all people, regardless of race, colour, gender, or any socio-economic diversity. This article intends to outline the effectiveness of the traditional system and to also address criticisms levelled at the traditional legal system, based on variations in practice and alleged exclusion of women from traditional justice mechanisms. These criticisms can be addressed effectively by traditional court systems aligned and dedicated to equality, democracy, and human rights protection. They can also be addressed through harmonising, integrating, and unifying customary law, common law, and constitutional values.
An Overview of Biblical Hebrew Grammars and Current Trends in Research on Masoretic Accents
Authors: Sutton Lodewyk
Published: September 2023

The Masoretic accents are, from different points of view, a neglected field of research. This is mainly because of the way that students of Biblical Hebrew are exposed to the accents in their formation years and to how the functional value of the accents was viewed. In recent years, a new scholarly interest in the accents has developed with a specific focus on the function and value of the accents. This article provides a short overview of some Biblical Hebrew grammars to indicate how these grammars have included and approached the study of Masoretic accents. This will be done by comparing the content of a number of introductory-level grammars as well as intermediate-level grammars. Attention will be given to grammars by South African scholars. After that, a number of conclusions are drawn, and several recent contributions on the topic are considered.
First course of palliative care in undergraduate at a Peruvian university
Authors:   Universidad Nacional Mayor de San Marcos, Portugal Sánchez José , Vásquez Alva Rolando , Pérez Agüero Carolina , Abarca Del Carpio Rita , Echegaray Castro Katia , Garaycochea Cannon Virginia , Amado Tineo José ,   Hospital Nacional Edgardo Rebagliati Martins,   Hospital Centro Médico Naval,   Parc Sanitari Sant Joan de Deu. Sant Boi, Catalunya, España,   Hospital Central de la Fuerza Aérea del Perú,   Instituto Nacional de Salud del Niño
Published: September 2023

The epidemiological transition that the world is experiencing requires health personnel prepared to respond to the needs and demands of the population; This also applies to low-income and medium-income countries, where oncological and non-oncological diseases are diagnosed in advanced stages and represent a high burden for the patient and family, often associated with pain and suffering.
Emotional intelligence and stress coping strategies in health care workers
Authors: Traverso Zumaeta Roxana , Aguirre Mollehuanca July P. , Talavera Jesús E. , Palomino Baldeon Juan C.
Published: September 2023

Objective: To determine the relationship between emotional intelligence and stress coping strategies in health care workers of a Third Level of Care Hospital during 2021. Methods: An analytical cross-sectional study was carried out. Two surveys were used: the COPE test which measures how to cope with stress and the Bar-On Emotional Coefficient Inventory which measures the level of emotional intelligence. The main variable was coping with stress. The independent variable was emotional intelligence. Results: A total of 290 health care workers were worked. Emotional intelligence was significantly positively correlated (Pearson = 0.6003) with stress coping. The stress coping strategies with the highest mean were planning, positive reinterpretation and growth, and religious coping. These strategies had a positive correlation with emotional intelligence, these correlations were 0.5271, 0.5200 and 0.2051 respectively. For the multiple regression analysis, it was observed that the average BARON test score increased by 0.261 points for each point increase in the COPE TEST (coefficient = 0.261; 95%CI: 0.215 - 0.307); adjusted for all covariates of interest. Conclusion: There is a relationship between emotional intelligence and stress coping. A relationship was also found with stress coping strategies.
Spontaneous pneumothorax and bullous emphysema in a young patient? About a case
Authors:   Semillero de investigación en Ciencias Médicas Quirúrgicas, Facultad de Medicina, Fundación Universitaria Autónoma de las Américas, Pereira, Colombia, Rodríguez Gutiérrez María M. , Cardona Gaviria Hernán , Hincapie Cano Luisa M. , Oyuela Gutiérrez María C. , Quevedo Cristancho Tatiana X. , Valencia Riascos Daniela , Gómez Raigosa Juliana , Díaz Rivera María C. ,   Capítulo Futuros Cirujanos, Asociación Colombiana de Cirugía,   General Surgeon Universidad Nacional Bogotá, Colombia,   General Surgeon Fundación Universitaria Ciencias de la Salud, Bogotá, Colombia
Published: September 2023

Introduction Pneumothorax is a pathology prevalent in traumatic accidents in the thorax, but it can also be found spontaneously due to causes attributable to bullous disease, pneumonia, airway obstruction, malignancy, among others. Case report Young male patient who debuted with spontaneous pneumothorax who required management in the intensive care unit with subsequent appearance of bullae in diagnostic images and pathology. Discussion Primary spontaneous pneumothorax (PSP) in the young population is influenced by psychosocial factors such as age, gender, habits, environment, and genetic factors. In 80% of patients with PSP, the presence of bullae or apical blebs has been demonstrated, in addition from the porosity of the pleura that usually occurs in tall adolescents with athletic bodies; but it is also observed that tobacco use can increase the risk. Conclusions Spontaneous pneumothorax due to bullous emphysema has increased in young people due to the use of psychoactive substances, vapers, and cigarettes.
PERFIL DO USO DE PSICOFÁRMACOS: PERCEPÇÕES DO SANITARISTA SOBRE O CUIDADO EM SAÚDE MENTAL COLETIVA NO TERRITÓRIO
Authors: Oliveira Alane Kelly de Sousa , Pinheiro Lídia Sousa , Carvalho Mariza Maria Barbosa , Hauschildt Andrieli Taise
Published: September 2023

O atual crescimento de diagnósticos e queixas relacionadas a transtornos psíquicos gera consequentemente um aumento da utilização de psicofármacos. A rede de atenção à saúde desempenha um papel articulador no acolhimento, diagnóstico e acompanhamento de diferentes afecções relacionadas a saúde mental. O estudo objetivou analisar a concepção do cuidado em saúde mental coletiva através da análise do perfil epidemiológico dos usuários de psicofármacos em uma Unidade de Atenção Primaria a Saúde de Quixadá-CE. Tratou-se de um estudo documental descritivo transversal com abordagem qualiquantitativa, onde foram utilizados prontuários de controle especial (n=134), abertos entre janeiro de 2019 a dezembro de 2020. Dos principais resultados, o perfil dos usuários de psicofármacos na unidade de saúde estudada é, majoritariamente, feminino (57,46%), com maior representatividade de (38-67) anos. Grande parte das variantes analisadas mostraram-se sem registros, como estado civil em (74,62%) e profissão/ocupação em (83,58%). Houve predominância de grupo farmacológico de antidepressivos e ansiolíticos, o diagnóstico médico associado à prescrição de tais medicamentos estava ausente em (54,47%), dentre os preenchidos, os mais relatados foram a ansiedade (15,67%), e depressão (14,92%). Cerca de (70,89%) dos usuários não possuíam registro de acompanhamento em outro serviço especializado. Concluiu-se que, viabilizar informações sobre esse perfil de pacientes é benéfico para gestão da qualidade dos serviços de saúde, iniciativas além da medicalização do sofrimento e renovação de receitas precisam ser tomadas com maior frequência, apostar em outras linhas de cuidado é fundamental para garantia da saúde do território.
ASSISTÊNCIA PSICOSSOCIAL AOS POVOS INDÍGENAS
Authors: Lima Antonio Wirly de Souza , Oliveira Evellin Ferreira de , Machado Sayonara Alves , Cidrack Klelyane de Araújo , Maia Anice Holanda Nunes , Câmara Cândida Maria Farias , Lima Leonardo Araújo
Published: September 2023

Este trabalho teve como propósito relatar a experiência de construir uma cartilha que fomente conhecimentos, habilidades e competências sobre os direitos indígenas básicos para contribuir com o trabalho desenvolvido no Centro de Referência de Assistência Social (CRAS) Padre Bernardo Bourassa, na sede do município de Capistrano-CE, tendo, como público, os técnicos da instituição. Através de um estudo bibliográfico sobre a temática, foi possível construir o material educativa que, aborda o direcionamento das políticas públicas e dos direitos humanos para os povos indígenas, a importância do olhar da Assistência Social e da Saúde aos povos tradicionais e a necessidade de ações voltadas à atenção psicossocial desse público. Traz, ainda, uma introdução da história do povo Karão Jaguaribaras. Com isso, o material foi desenvolvido de forma simples, lúdica e concisa que trabalha as carências do conhecimento sobre os direitos humanos dos povos tradicionais através de diálogos desenvolvidos pelos personagens que compõem a cartilha sendo estes, dois indígenas e um profissional de assistência social e apresentações discursivas. Através da apresentação do material educativo aos técnicos, foi dialogado sobre a eficácia desse na condução do alcance do objetivo proposto.
Predictive model and classification for psoriatic arthritis risk assessment for Russian patients with psoriasis (on registry data)
Authors: Bogdanova Elena V.
Published: September 2023

Background. Psoriatic arthritis risk prediction and early detection in patients with psoriasis may help prevent irreversible musculoskeletal changes and improve patients outcomes.
Aims. To develop and validate predictive model for psoriatic arthritis risk assessment and classification for patients with moderate-to-severe psoriasis based on demographic and clinical characteristics.
Materials and methods. Data of psoriasis patient registry of Russian Society of Dermatovenereologists and Cosmetologists was analyzed. Significant differences between independent variables of interest among patients with and without psoriatic arthritis were determined by means of 2-test or MannWitney test. Predictive models were developed stepwise by means of logistic regression analysis. Independent variables of low significance were excluded from the model. Regression coefficients were considered significant if p 0.05. The optimal cut-off value was derived from ROC-analysis. The model performance was evaluated by calculation of AUC, sensitivity and specificity on training and test datasets. Finally, adjusted regression coefficients, AUC, sensitivity and specificity were derived for pooled data.
Results. Training sample included 3245 patients with psoriasis, 920 of them had diagnosis of psoriatic arthritis. The final predictive model included five significant predictors: psoriasis duration, medical history of psoriatic erythroderma, family history of psoriatic arthritis, arterial hypertension, and fatty liver. All regression coefficients were highly significant (p 0.001). The AUC of prediction model adjusted on pooled data was 0,7473, sensitivity 70%, specificity 66% for cut-off value 0.212.
Conclusions. Developed predictive model for risk assessment of psoriatic arthritis may contribute to its earlier detection in patients with psoriasis taking into account the degree of influence of significant predictors. The proposed classification may be used to discriminate patients at higher risk of psoriatic arthritis.
Glycosaminoglycans as disease biomarkers: a systematic review
Authors: Lenzi Luiz Guilherme de Saboya , Santos João Baptista Gomes dos , Mendes Aline , Nader Helena Bonciani , Cavalheiro Renan Pelluzzi , Kobayashi Elsa Yoko , Faloppa Flavio
Published: September 2023

Objective: To identify glycosaminoglycans (GAGs) as biomarkers predictive of normal biological processes, pathological processes, and non-invasive diagnostic interventions. Methods: Searches were performed in the databases  Acervo+ Index base,  Scopus, MEDLINE, Web of Science, SciELO and LILACS, and experimental and review studies addressing the use of GAGs as biomarkers in diagnoses of diseases were included. For the critical analysis of the selected studies, the QUADAS-2 method was applied as a tool for evaluating methodological quality.  Results: We selected 66 potentially relevant articles, 20 of which met the eligibility criteria. After evaluating the methodological quality, 10 studies classified with low risk of bias for narrative synthesis and 1 experimental article that studied the mechanism of GAGs in hepatic fibrosis were included. Final considerations: The present systematic review identified that the use of GAGs as biomarkers presents good reproducibility, can be used in non-invasive procedures (blood or urine), be performed in most laboratories, and allow for the evaluation of progress and pathophysiological processes. However, it still has limitations to differentiate intermediate stages in some diseases.
Omissões de Navios Contêineres ao Porto de Suape
Authors: Alves da Silva Diego Henrique , Lima Uchôa de Moura Ana Regina
Published: September 2023

Com a globalização, mercado mundial ficou condicionado a uma boa cadeia logística, em particular, o transporte marítimo de contêineres que se tornou fundamental para assegurar as trocas comerciais, contribuindo para o desenvolvimento econômico da região. O Porto de Suape dispõe de um terminal de uso público arrendado - Tecon Suape, que tem se preocupado com a omissão de navios que chegam à Suape, principalmente por navegação de longo curso. Este artigo objetiva a análise das causas das omissões de navios contêineres ao Porto, levando-se em consideração indicadores de desempenho, a relação com a pandemia e a consolidação da China como principal parceiro comercial do Brasil. Os dados foram obtidos com o Tecon Suape e três principais Armadores que operam neste terminal e os indicadores de desempenho utilizados são aplicáveis a terminais marítimos de contêiner no Brasil. Os resultados apontaram mudanças de rotas marítimas que atenua a aptidão do Porto de Suape como hub port nacional em contêineres. A decisão da omissão é do Armador,  e a principal causa está relacionada ao atraso da chegada de navios à Suape, que resulta em perder a “janela” do porto seguinte e; aumenta o custo de operação na bacia de fundeio.
INFLUENCE OF GENDER ON THE FREQUENCY OF SENSITIZATION TO INHALATION ALLERGENS IN ALLERGIC RHINITIS, BRONCHIAL ASTHMA AND THEIR COMBINATION
Authors:   Grodno State Medical University, Grodno, Belarus, Lialikau S. A. , Kleschenko P. V. ,   Grodno State Medical University, Grodno, Belarus, Kotova E. V. ,   Grodno University Clinic, Grodno, Belarus, Markevich N. V. ,   Grodno University Clinic, Grodno, Belarus, Toker O. A. ,   Grodno University Clinic, Grodno, Belarus, Grinevich T. N. ,   Grodno State Medical University, Grodno, Belarus
Published: September 2023

Background. In the Republic of Belarus, allergic diseases affect from 10 to 15% of the population, and there is a steady increase in the incidence of allergic rhinitis (AR) and bronchial asthma (BA). The purpose of the study was to evaluate the effect of gender and age on the nature of sensitization to inhalation allergens in residents of the Grodno region suffering from AR, BA and a combination of these diseases (AR + BA). Material and methods. Based on the results of skin prick tests with household, epidermal and pollen allergens, we analyzed the sensitization profiles of 237 patients (97 women, 140 men) suffering from AR (101 patients), BA (89 patients) and AR + BA (57 patients). Results. In AR, men are statistically significantly more likely than women (with a frequency exceeding 50%) to develop sensitization to cereals and early flowering trees, while household allergens are major for female representatives. In patients with BA, sensitization to household allergens, pollen of cereals and trees / shrubs is detected more often, while gender differences in the sensitization profile are less pronounced than in AR: in men, allergy to house dust is somewhat more common, and women are significantly more likely to be allergic to ash pollen. When BA is combined with AR, the sensitization profile is similar to that in patients with isolated BA: allergy to house dust, pollen of cereals and trees is detected most often, and gender differences are also slightly expressed: sensitization to epidermal allergens is significantly more common in women than in men, while sensitization to the pollen of timothy grass and creeping wheatgrass occurs less often. Conclusions. The gender of patients with BA and/or AR significantly affects the spectrum of causally significant allergens.
STRUCTURE AND DYNAMICS OF CHANGES IN MICROFLORA OF PURULENT DISEASES OF SOFT TISSUES OF PATIENTS OF SURGICAL DEPARTMENTS IN MODERN CONDITIONS
Authors:   Grodno State Medical University, Grodno, Belarus, Dovnar R. I.
Published: September 2023

Background. To develop effective means of combating pathogenic microflora, as well as effective etiotropic treatment it is necessary to know the structure and emerging trends of surgical infection pathogens. Aim of the research – assessment of the structure and current dynamics of changes in the microbiological spectrum of causative agents of purulent processes in soft tissues of surgical patients at the present time. Material and methods. The results of microbiological cultures taken in the departments: surgical, burn, traumatology № 3 and anesthesiology, resuscitation and intensive care of the Emergency hospital in Grodno from 2016 to 2022 were analyzed. The microbiological spectrum of purulent diseases of soft tissues was compared with the results of cultures of all microflora isolated from patients of the studied departments to identify existing trends in pathogenic microflora in the hospital. Results. Despite the fact that the pathogenic microflora isolated from surgical patients was very diverse, most often Staphylococcus aureus was cultured from Gram-positive microorganisms, and Klebsiella pneumoniae, Escherichia coli, Pseudomonas aeruginosa, Acinetobacter baumannii and Proteus mirabilis were cultured from Gram-negative microorganisms. A fungus of the genus Candida (Candida spp.) was cultured in a small but practically stable ratio of about 1 %. At the same time, there are no significant changes in the structure of the circulation of the leading microflora in patients with purulent processes of soft tissues over the studied period of time. Conclusions. The structure of the cultured microbial flora of the studied surgical departments, as a whole, when compared with microbes isolated from patients with purulent processes of soft tissues is almost identical. There are no significant changes in its structure in these patients. The most significant cultured organisms were Staphylococcus aureus, Klebsiella pneumoniae, Escherichia coli, Pseudomonas aeruginosa, Acinetobacter baumannii and Proteus mirabilis.
The impact of maumere gymnastics on blood pressure reduction in hypertensive patients: A promising non-pharmacological intervention
Authors: Sari Anggun Permata , Bafirman  , Rifki Muhammad Sazeli , Syafrianto Donal , Kurniawan Randi
Published: September 2023

Hypertension is one of the biggest causes of morbidity in the world, often referred to as a silent killer. This study aimed to investigate the effectiveness of Maumere exercise, a non-pharmacological therapy, in reducing blood pressure among hypertensive individuals in Padang City. An experimental research design with a pretest-posttest approach was employed, involving 20 participants aged 25 years and older who had a history of stage 1 hypertension. Blood pressure measurements were obtained using a sphygmomanometer, and the data were analysed using t-tests or regression analysis. The findings demonstrated that Maumere exercise therapy effectively reduced systolic blood pressure by 43.5% and diastolic blood pressure by 48.7%. Additionally, Maumere gymnastic exercises were found to have a positive impact on heart rate control. Regular exercise led to improved cardiovascular adaptation, resulting in better blood pressure control. This study contributes by providing empirical evidence regarding the efficacy of Maumere exercise as a non-pharmacological therapy for reducing blood pressure in hypertensive patients. It highlights the significant reduction in systolic and diastolic blood pressure achieved through four weeks of Maumere gymnastics, supporting its potential as an alternative approach to hypertension management. Future research should consider larger-scale studies with diverse populations, explore the long-term effects of Maumere exercise, and investigate the optimal duration, frequency, and intensity of exercise sessions to develop standardised guidelines for its implementation.
AGNETIC FLUIDS: PREPARATION, PROPERTIES AND APPLICATION IN THE INDUSTRY AND MEDICINE
Authors: Байбуртский Ф.С. , Сенатская И.И.
Published: September 2023

Рукопись представляет обзор методов получения и использования магнитных жидкостей. Представлены методы синтеза магнитных частиц, исследованы варианты их стабилизации с применением по­верхностно-активных веществ и полимеров. Описаны примеры использо­вания полученных магнитных жидкостей в промышленности и медицине. Авторами сделан обзор публикаций научных школ, которые посвящены этим исследованиям. Bayburtsky F.S.,

The manuscript represents the review of methods of preparation and use of magnetic fluids. Methods of synthesis of magnetic particles are presented, variants of their stabilisation with application ­of surfactants and polymers are investigated­. Examples of use ­of the prepared magnetic fluids in the industry and medicine are described­. Authors make the review of publications of scientific schools which are devoted these researches.
EnzyKR: A Chirality-Aware Deep Learning Model for Predicting the Outcomes of the Hydrolase-Catalyzed Kinetic Resolution
Authors: Ran Xinchun , Jiang Yaoyukun , Shao Qianzhen , Yang Zhongyue J.
Published: September 2023

Hydrolase-catalyzed kinetic resolution is a well-established biocatalytic process. However, the computational tools that predict the favorable enzyme scaffolds for separating racemic substrate mixture are underdeveloped. To address this challenge, we trained a deep learning framework, EnzyKR, to automate the selection of hydrolases for stereoselective biocatalysis. EnzyKR adopts a classifier-regressor architecture that first identifies the reactive binding conformer of an enantiomer-hydrolase complex, and then predicts its activation free energy. A structure-based encoding strategy was used to depict the chiral interactions between hydrolases and enantiomers. Different from existing models trained on protein sequence and substrate SMILES strings, EnzyKR was trained using 204 enantiomer-hydrolase complexes, which were constructed by docking based on the enzyme and substrate structures curated from IntEnzyDB. EnzyKR was tested using a held-out dataset of 20 complexes on the task of active free energy prediction. EnzyKR achieved a Pearson correlation coefficient (R) of 0.72, a Spearman rank correlation coefficient (Spearman R) of 0.72, and a mean absolute error (MAE) of 1.54 kcal/mol in its active free energy prediction task. Furthermore, EnzyKR was tested on the task of predicting enantiomeric excess ratios for 28 hydrolytic kinetic resolution reactions catalyzed by fluoroacetate dehalogenase RPA1163, halohydrin HheC, A. mediolanus epoxide hydrolase, and P. fluorescens esterase. The performance of EnzyKR was compared against a recently developed kinetic predictor, DLKcat. EnzyKR correctly predicts the favored enantiomer and outperforms DLKcat in 18 out of 28 reactions, occupying 64% of the test cases. These results demonstrate EnzyKR as a new approach for prediction of enantiomeric outcomes in hydrolase-catalyzed kinetic resolution reactions.
Raman Spectroscopy of the Iron Oxides in the Form of Minerals, Particles and Nanoparticles
Authors: Sparavigna Amelia Carolina
Published: September 2023

Magnetic iron oxides, such as Fe3O4, α-Fe2O3, γ-Fe2O3, have unique magnetic, catalytic and biochemical features, rendering them suitable for several specific technological and biomedical applications. In a previous study, for instance, we considered the magnetite Fe3O4 nanoparticles dispersed in supporting materials to obtain composites that can better respond to electromagnetic interferences with an increased EMI shielding effectiveness. Here we investigate how to distinguish the iron oxide nanoparticles by means of their Raman spectra. We will stress that literature is evidencing a challenge. This challenge is due to the fast transformations of iron oxides when laser power is applied. Therefore, the Raman spectroscopy needs to be considered carefully for determining the nature of the iron oxide present in the investigated samples. The role of oxidation of magnetite will be addressed in detail. In the review, the reader can find the Raman “fingerprints” of some oxides such as Magnetite, Maghemite, Hematite, Goethite, Lepidocrocite, Akaganeite and Siderite, when considered as minerals or nanoparticles. Moreover, we will also discuss some Raman spectra of iron oxides in composites and other materials (encapsulated iron oxides, biochar decoration, red mud). The fitting of some Raman spectra obtained by means of the q-Gaussian Tsallis functions is also shown.
Well-Defined Ti Surface Sites in Ziegler-Natta Pre-Catalysts from 47/49Ti solid-state Nuclear Magnetic Resonance Spectroscopy
Authors: Yakimov Alexander , Kaul Christoph , Kakiuchi Yuya , Sabisch Sebastian , Morais Bolner Felipe , Raynaud Jean , Monteil Vincent , Berruyer Pierrick , Copéret Christophe
Published: September 2023

Ziegler-Natta (ZN) catalysts – typically formulated as TiCl4/MgCl2/AlR3 and possibly containing additional organic ligands – are essential to the production of polyethylene and polypropylene. Despite their industrial relevance and years of research on these materials, the role of each constituent (support, organic ligands, post-treatment with organic or inorganic modifiers etc.) on the structure of Ti surface sites responsible for polymerization remains poorly understood, partly because of the high complexity of such materials. Herein, we show how high-field 47/49Ti NMR can bring about new lights on the structures of the Ti surface sites in ZN pre-catalysts (prior to activation with alkyl aluminum) resulting from adsorption of TiCl4 on MgCl2 followed by a post-treatment with BCl3, an additive used to improve catalytic activity by increasing the amounts of active sites. The implementation of high-field NMR (900 MHz), low temperature (~100 K), magic angle spinning (10 kHz), CPMG echo train acquisition and DFT modelling, to study this material (TiCl4/MgCl2/BCl3) and molecular analogs, allows the detection of a 47/49Ti NMR signature and the development of a molecular level understanding of the NMR signature of Ti surface sites. The extracted 49Ti NMR parameters (δiso, exp = –170 ppm and CQ, exp = 9.3 MHz) from this signature analyzed by DFT modeling indicate the presence of one specific coordination sphere for Ti, namely a fully chlorinated hexacoordinated Ti site with a symmetric charge distribution, due to the post-treatment with BCl3 (that removes the alkoxide ligands) and the coordination environment provided by surface of an amorphous MgCl2.
Improved Prediction of Reaction Kinetics for Amine Absorbent-based Carbon Capture using Reactive Site-based Transition State Conformer Search Method
Authors: Liu Qilei , Xiang Sheng , Du Jian , Meng Qingwei , Zhang Lei
Published: September 2023

There is no doubt that carbon emissions are one of the greatest challenges facing humanity today. Carbon capture, utilization, and storage is an effective way to achieve carbon neutrality. However, the commonly used commercial absorbents for post-combustion captures still have some limitations such as low chemical absorption rate constants. In this paper, a universal reaction kinetic model is developed for amine-based carbon capture based on the transition state theory, density functional theory, and hybrid solvation model. The developed reaction kinetic model is applicable to a wide range of amine-solvent solutions involving primary/secondary/tertiary amines and aqueous/nonaqueous solvents. The key contribution of this work is developing a reactive site-based transition state conformer search method, which has greatly improved the prediction accuracy of the reaction kinetic model from R2=0.819 to R2=0.943 based on a dataset of 21 various amine-solvent solutions. The results highlight the critical impacts of the transition state conformational isomers on amine-based CO2 chemical absorption rate constants.
Redox-Based Defect Detection in Packed DNA: Insights from Hybrid Quantum Mechanical/Molecular Mechanics Molecular Dynamics Simulations
Authors: Kılıç Murat , Diamantis Polydefkis , Johnson Sophia K. , Toth Oliver , Rothlisberger Ursula
Published: September 2023

The impact of an 8-oxoguanine (8oxoG) defect on the redox properties of DNA within the Nucleosome Core Particle (NCP) was investigated employing hybrid Quantum Mechanical/Molecular Mechanics (QM/MM) molecular dynamics simulations of native and 8oxoG-containing NCP systems with an explicit representation of a biologically relevant environment. Two distinct NCP positions with varying solvent accessibility were considered for 8oxoG insertion. In both cases, it is found that the presence of 8oxoG drastically decreases the redox free energy of oxidation, by roughly 1 eV, very similar to what was recently reported for free native and 8oxoG-containing DNA. In contrast, the effect of 8oxoG on the reorganization free energy is even smaller for packed DNA (decrease of 0.13 eV and 0.01 eV for defect-free and defect-containing systems respectively) compared to the one of free DNA (0.25 eV), consistent with the increased rigidity of the NCP as compared to free DNA. Furthermore, the presence of an 8oxoG defect does not yield any significant changes in packed DNA structure. Such a conclusion favors the idea that also in the case of chromatin, defect-induced changes in DNA redox chemistry can be exploited to detect damaged bases via DNA mediated hole transfer.
The Development and Mechanistic Study of an Iron-Catalyzed Intramolecular Nitroso Ene Reaction of Nitroarenes
Authors: Vu Van , Powell Jair , Ford Russell , Patel Pooja , Driver Tom
Published: September 2023

An intramolecular iron-catalyzed nitroso ene reaction was developed to afford six- or seven-membered N-heterocycles from nitroarenes using an earth abundant iron catalyst and phenylsilane as the terminal reductant. The reaction can be triggered using as little as 3 mol % of iron(II) acetate and 3 mol % of 4,7-dimethoxyphenanthroline as the ligand. The scope of the reaction is broad tolerating a range of electron-releasing or electron-withdrawing substituents on the nitroarene, and the ortho-substituent can be modified to diastereoselectively construct benzoxazines, dihydrobenzothiazines, tetrahydroquinolines, tetrahydroquinoxalines, or tetrahydrobenzooxazepines. Mechanistic investigations indicated that the reaction proceeds via a nitrosoarene intermediate, and kinetic analysis of the reaction revealed a first order rate dependence in catalyst- and nitroarene concentration, and an inverse kinetic order in acetate was observed. The difference in rates between PhSiH3 and PhSiD3 was found to be 1.50 ± 0.09, and investigation of the temperature dependence of the reaction rate revealed that the activation parameters to be ΔH‡ = 13.5 kcal•mol–1 and ΔS‡ = –39.1 cal•mol–1•K–1. These data were interpreted to indicate that the turnover-limiting step to be hydride transfer from iron to the coordinated nitroarene, which occurs through an ordered transition state with little Fe–H bond breaking.
Creating Glassy States of Dicarboxylate-bridged Coordination Polymers
Authors: FAN Zeyu , Wei Yong-Sheng , Das Chinmoy , Kanamori Kazuyoshi , Yamada Hiroki , ohara Koji , Horike Satoshi
Published: September 2023

We report the direct formation of dicarboxylate-based coordination polymer glasses through thermal dehydration. The rearrangement of the coordination networks caused by dehydration was monitored by in-situ powder X-ray diffraction, infrared spectroscopy, and synchrotron X-ray characterizations. The microporosity and mechanical properties of these glasses were investigated.
Potent activity of Metal-Organic Framework nanoparticles loaded by hydrophobic natural products via one-pot synthetic method against pancreatic cancers
Authors: Eskandari Arivn , Wang Yang , Forgan Ross Stewart
Published: September 2023

Metal-organic frameworks (MOFs) have been recently proposed as a new nanoscale drug delivery vector posing significant surface area and tunable chemo physical properties. The main procedure of encapsulation of anticancer drugs into the MOFs are post synthetic methods (PSM), however that is time/energy consuming and often not be reproducible in large scale. Further, PSM method would not be applicable without coating due to the burst drug release. Herein, we report a new strategy of incorporating of hydrophobic natural drugs into zirconium terephthalate MOF UiO-66 via one-pot synthetic route. The drugs are added by one-pot solvothermal method and uniformly distributed throughout the MOFs surfaces. Potency of formulation showed a 7-fold increase compared to PSM MOFs against 3D cultured pancreatic cancers and can be applicable for other hydrophobic drugs.
Confocal Surface-enhanced Raman Imaging of the Intestine Barrier Crossing Behavior of Dual-functional Plasmonic Nanoplastics in Daphnia magna
Authors: Das Anupam , Terry Lynn R. , Guo Huiyuan
Published: September 2023

Due to wide spread, high concentrations, and easy bioavailability, nanoplastics (nPs) pose great ecological hazards both in the marine and freshwater ecosystems. To evaluate their impacts on the model water flea, Daphnia magna, and how they translocate from the intestine, the primary organ of accumulation, to the other body parts, is a key subject of research. In our current effort, we addressed the phenomenon of inter organ translocation of the nPs and suggested plausible mechanism of the process with the help of a dual functional plasmonic polystyrene (PS) nanoplastic (nPS) and confocal Raman mapping. We synthesized a ‘core-shell' polystyrene coated-nano gold particle and conjugated it with a Raman reporter, 4-mercapto benzoic acid (4-MBA). This dual functional plasmonic nanoplastic (model nPS) fulfills the purpose of nP as well as surface-enhanced Raman scattering (SERS) nano-probe for imaging. Upon exposure, the Daphnia showed uptake of the model nPSs mainly in the intestine tract. Exposure, beyond 4 h at concentration of 10 mg/L, exhibited inter organ translocation of the model nPSs to other parts in Daphnia body. Translocation was observed with the help of multilayer stack Raman mapping of the SERS signals coming from the model nPSs.
Human-machine Relationship in the Intelligence Age: the Choice Theory Towards Technical Control
Authors: 刘 永谋 , 王 春丽
Published: September 2023

机器演进至今主要经历了手工工具、机器工具、自动机器、智能机器四个阶段,未来可能会出现“AI新无知之幕”。科学技术的发展将智能革命向纵深化推进,人机关系问题日益凸显。目前的人机关系友好论、敌对论、协同论已不能阐明人机关系的复杂性,亦无法站在实践的立场上为人机关系的和谐构建提供可行性新方案。面对科技创新带来的“AI新无知之幕”,技术控制的选择论强调人在人机关系中的主导性作用,主张干预、引导与控制机器的发展,在遵循道德性、AI设计的有限主义、实用性三大原则的基础上,从制度、伦理、教育、技术等层面进行战略推进。
Impact of Adolescent Cyberbullying Victimization on Mental Health from the Perspective of Attachment Theory
Authors: 杨 晓冬 , 宋 冰 , 王 琪
Published: September 2023

本研究从依恋理论的视角出发,探讨青少年网络欺凌受害的频率对青少年心理健康问题的影响。研究采用多阶段集群抽样方法,在中国东部省份收集了751名中学生的代表性样本。数据分析发现,青少年网络欺凌受害频率与青少年心理健康的关系会因父母依恋和同伴依恋程度的不同而有所差异,父母依恋和同伴依恋在青少年群体遭受网络欺凌的频率与心理健康问题之间具备显著的调节作用。与父母依恋相比,在遭受更高频率的网络欺凌时,同伴依恋对青少年群体心理健康问题起到更强的保护作用。
Make Fact-Checking More Popular? The Paradoxical Consequences of Conspiracy Theory Correction Using Mass Reporting and Populist Discourse
Authors: 刘 于思 , 闫 文捷 , 周 睿鸣
Published: September 2023

近年来,事实核查的对象从政客声言逐渐转向用户发布的阴谋论。中国社交媒体平台上出现的举报式辟谣以其广泛参与的用户和亲民风格的话语,丰富了针对阴谋论的信息纠偏实践。本研究通过一项2(纠偏形态:专业核查 vs 群众举报)×2(话语风格:客观陈述 vs 亲民风格)被试间设计的在线调查实验(N =917),实证检验了上述因素的相互作用对读者阴谋论信念降低、纠偏信息互动意向和事实核查好感度的影响。研究发现,无论是采用客观陈述开展参与式辟谣,还是专业记者结合亲民话语风格开展核查,“出其不意”的组合更能降低阴谋论信念;人们对记者撰写的客观事实核查有更强的读转赞评意愿,但在社交媒体中与纠偏信息积极互动也可能是阴谋论信念高涨的结果;总体而言,发动群众举报开展信息纠偏可能以牺牲人们对事实核查的好感度为代价。研究就上述发现对事实核查新闻业避免媒体民粹主义的理论意涵和实践启示展开了讨论。
Covid-19 Patient Transport: A Literature Review
Authors: Aisah Siti , Nurhidayati Tri , Setyawati Dewi , Muntoha Mohammad Gita
Published: September 2023

The pandemic caused by the Severe Acute Respiratory Syndrome Coronavirus-2 (COVID-19) is tremendously affecting health care services worldwide due to the nature of this virus which is highly infectious with a high rate of transmission. Transmission of the COVID-19 virus quickly occurs through close contact, droplet, airborne, and faecal-oral. During the prevention and containment of the pandemic, ambulances play an important role in transporting infectious patients. Health workers working in ambulances are at high risk of contracting the COVID-19 virus considering an ambulance is a small, confined and enclosed compartment. It is necessary to find a safe way of transporting COVID-19 patients by ambulance. Methods This thesis uses a literature review method. By following the PRISMA flow diagram, research journals are gathered from the electronic database Sciencedirect and Pubmed by performing keyword searches. The results are then sorted based on predefined inclusion criteria. Nine original research journals are obtained and reviewed. Results we found a variety of control measures that can be applied in transporting COVID-19 patients safely. These control measures can be categorised using the Control Hierarchy approach which includes elimination, engineering control, administrative control and usage of personal protective equipment (PPE). Conclusion transportation of COVID-19 patients by ambulance can be carried out safely by strictly adhering to the control measures and certain protocols found in this literature review These control measures can be categorised using the Control Hierarchy approach which includes elimination, engineering control, administrative control and usage of personal protective equipment (PPE). Conclusion transportation of COVID-19 patients by ambulance can be carried out safely by strictly adhering to the control measures and certain protocols found in this literature review These control measures can be categorized using the Control Hierarchy approach which includes elimination, engineering control, administrative control and usage of personal protective equipment (PPE). Conclusion transportation of COVID-19 patients by ambulance can be carried out safely by strictly adhering to the control measures and certain protocols found in this literature review.
Aplication of Family Centered Care on the Impact of hospitalization in Intensive Care Unit In Parents’ Perspective: literature Review
Authors: Kurniawati Staningsih Herlambang , Mariyam Mariyam , Alfiyanti Dera , Samiasih Amin
Published: September 2023

family-centred Care (FCC) is an effective intervention in reducing the impact of hospitalization. The aim of this literature review was to identify published research articles on the application of the FCC concept to the reduction of the impact of hospitalization in pediatric intensive care wards from the perspective of the parents. The literature review research took 14 journals from various databases published in 2015-2021. Searching for titles was obtained through identification and screening, entering inclusion criteria, so that 13 international journals and 1 national journal were obtained. The results of this study identified parental perspectives regarding the application of the core concepts of the FCC in reducing the impact of hospitalization, where each concept is accompanied by theme findings, for respect and dignity: a) the physical and cultural environment of the PICU, b) the expression of compassion and support from staff; sharing information: a) using understandable language, b) medical cycles, and c) satisfaction with communication; participation: a) parents as experts, b) how parents participate, c) environmental / staff impact on participation, and d) medical cycles; and Collaboration. This review reveals parents' reports that the implementation of the FCC concept in reducing the impact of hospitalization has not been fully fulfilled, as evidenced by the finding of positive and negative implementations related to the FCC concept.
Effect of 35% hydrogen peroxide on in-office bleaching against changes in tooth enamel hardness: Literature review
Authors: Avicenna Asy-Syifa Brillian , Mahardika Christina , Jayanti Lira Wiet
Published: September 2023

Teeth bleaching is one of the treatments for teeth discolouration. Teeth bleaching can do in-home or in-office. The material for that use in-office bleaching is 35% hydrogen peroxide. Hydrogen peroxide is a chemical compound that is tough and has a micro molecule that can easily penetrate enamel tissue and dentin tissue. Bleaching with hydrogen peroxide in-office is now more attractive because can be faster to see the result. Bleaching with hydrogen peroxide when done repeat will make teeth more sensitive, and damage enamel tissue and dentin tissue.  The objective of this study is to know the influence of in-office bleaching using 35% hydrogen peroxide on microhardness enamel.  This research is made with a literature review with search engine google scholar, PubMed, and science direct. The results of 10 articles show the effectiveness of teeth discolouration after bleaching using 35% hydrogen peroxide in-office.  The reduction in enamel microhardness seen using SEM, knob and Vickers is visible although not significant. Based on the literature review research that has been carried out, it can be concluded that there is a reduction in enamel hardness after the in-office bleaching process by using 35% hydrogen peroxide.