bluuebunny/crossref_metadata_2025 huggingface dataset:
The Other Side of the Coin: Secondary Takotsubo Syndrome in Living Donor Liver Transplantation Reversul medaliei: sindrom Takotsubo secundar la donator înrudit pentru transplant hepatic
Authors: Ponor Cosmina Georgiana , Clapa Loredana Arabela , Miftode Radu Ștefan , Popescu Ștefan Eduard , Lupașcu Cristian Dumitru , Blaj Mihaela , Ciobotaru Larisa , Costache Enache Irina Iuliana , Sălăgean Mihaela , Șmira Gabriela , Brașoveanu Vlad
Published: December 2024

Introduction

Takotsubo syndrome is an acute reversible heart failure syndrome, and its secondary form occurs in patients already hospitalized for another medical, surgical, obstetric, or psychiatric condition. Takotsubo syndrome is also a complication that occurs in liver transplant recipients. There is little data regarding the management and long-term treatment of these patients; major recommendations are based on expert opinion.

Case Presentation

We present a case of a 46-year-old female patient, with no significant past medical history, admitted for hepatectomy, being a living hepatic transplant donor for her sister. In the early postoperative period, she developed worsening dyspnea, alongside ECG changes, abnormal cardiac biomarkers, and a significant decrease of the left ventricle systolic function, with a typical “apical ballooning” aspect of the left ventricle determined by the wall motion abnormalities that extend beyond the territory of a single coronary artery. All the clinical and imagistic aspects are highly suggestive of Takotsubo syndrome. She further developed a low cardiac output state and cardiogenic shock, with a recovery of her clinical state days later, being under supportive care, with a later improvement of her symptoms and of the left ventricle systolic function on repeated transthoracic echocardiography.

Conclusions

Takotsubo syndrome may be a complication occurring in liver transplant recipients, with a rising number of cases published. Secondary Takotsubo syndrome occurring in a living liver donor is in itself a peculiarity due to the fact that such cases are not currently reported in literature. We report this case to raise awareness regarding this possible outcome in living donors for solid organ transplantation.
Measurement of the Degree of Environmental Awareness of the Population of Parauapebas Based on Multivariate Analyses
Authors: Loureiro João Paulo Borges de , Monteiro Ana Beatriz dos Santos , Santos Marcos Antônio Souza dos , Penante Lucas Gabriel Rocha , Novais Pedro Arthur Ventura , Oliveira Gilmara Maureline Teles da Silva de , Santos Diego Nascimento
Published: December 2024

Objective: The study aims to investigate the level of sustainable practices adopted by the population of Parauapebas to generate concrete data and information on the environmental awareness of its residents.
 
Theoretical Framework: In recent years, debates about environmental issues have become frequent in various conferences, governmental institutions, and society as a whole. The adoption of ecological habits is a direct response to this crisis, not only reducing our environmental impact but also paving the way for a more sustainable future.
 
Method: The study was conducted through a survey using a multiple-choice questionnaire addressing daily sustainable practices, knowledge about environmental responsibility, environmental education, and other elements of environmental awareness. Data was processed and tabulated using Microsoft Office Excel (2019), and the IBM SPSS 27 software was used to develop the Environmental Awareness Index of Parauapebas (ICAP), using the principal component analysis method.
 
Results and Discussion: The results showed that approximately 67% of Parauapebas' population has a low level of environmental awareness. Among the 7 explanatory factors, only the “awareness of waste disposal” factor showed a positive result, while the others confirmed a low awareness index. Despite the results, nearly 55% believe that adopting sustainable measures is very important, indicating that residents understand the importance of environmental routines but do not put them into practice.
 
Research Implications: The research highlights the need to strengthen environmental education campaigns to turn theoretical awareness into practical actions. The results can influence public policies aimed at the efficient use of resources, such as water and energy, and improve waste management in Parauapebas. Furthermore, the study can guide interventions to promote urban sustainability and encourage initiatives in the educational and environmental sectors by creating programs that foster ecological habits.
 
Originality/Value: It was possible to develop a quantitative indicator with good statistical quality, allowing us to affirm that 67% of Parauapebas' population has low environmental awareness. Notably, 92% of the population wastes water during routine activities, and 83% do not take action to save energy or reuse discarded materials. The proper disposal of furniture and debris was the only factor with a positive result, where 65% of the population avoids dumping waste on city streets. Although the population understands the importance of sustainable measures, little is done in practice to preserve the city's environment.
Ich bin Ich und wer bist Du?
Authors: Dieter Jadranka
Published: December 2024

Im Mittelpunkt stehen Winnicotts Konzepte von der Entwicklung des Selbst und deren Weiterentwicklung durch Ogden und die intersubjektive Sichtweise der modernen Psychoanalyse und der Katathym Imaginativen Psychotherapie (KIP). Anhand von zwei ausführlichen Fallvignetten wird Winnicotts »Objektverwendung und Identifizierung« exemplarisch dargestellt und mit dem Diskurs verschiedener theoretischer Ansätze über die frühe Selbstentwicklung verknüpft, insbesondere mit dem »Verwandlungsobjekt« von Bollas und den »Begegnungsmomenten« verschiedener Autoren. Speziell wichtig wird dabei die Vorstellung, dass eine »reife« Imagination zu einem »therapeutischen Ereignis« werden kann und muss. Die Reifung von intersubjektiven Anerkennungsprozessen wird in Relation gesetzt zu Prozessen der Reifung des Selbst. Die »Rahmenhandlung« wird von einer bekannten, berührenden Kindergeschichte »Das kleine Ich bin ich« bereitgestellt.
PREVALÊNCIA E FATORES ASSOCIADOS AO TEMPO PROLONGADO DE HOSPITALIZAÇÃO DE PESSOAS IDOSAS: ESTUDO TRANSVERSAL
Authors: Moreira Andréa Carvalho Araújo , Teixeira Iane Ximenes , Diniz Jamylle  Lucas , Oliveira Francisco Eduardo Silva de , Matos Sarah Gaspar de
Published: December 2024

Objetivo: identificar a prevalência e os fatores associados ao tempo prolongado de hospitalização das pessoas idosas. Métodos: Estudo transversal, com 228 pessoas idosas hospitalizadas. O tempo prolongado de internação foi determinado pelo Kanbam, sistema institucionalizado, que considera pacientes com o dobro da permanência determinada pelo diagnóstico ou procedimento mais um dia. Os dados sociodemográficos e fatores associados foram obtidos dos prontuários e por meio de entrevista à beira do leito. A análise compreendeu a estatística descritiva, uni e bivariada. Resultados: A prevalência de pessoas idosas com tempo prolongado de hospitalização foi de 48,2%, com predomínio do sexo masculino. Os fatores associados (p<0,05) foram: possuir cuidador, astenia, acidentes por quedas e acidente vascular cereberal. Conclusão: Considerou-se uma prevalência alta de internação prolongada entre os idosos, sendo essa associada a fatores modificáveis, como a ocorrência de quedas e acidentes vascular cerebral. Tais achados subsidiam ações mais assertivas para a população idosa.
Tracking global health communication publication trends
Authors: Hardianti Fitri , Handayani Benni , Ardi Wibowo Arif
Published: December 2024

The field of communication has evolved and become more diverse, leading to the emergence of health communication as a multidisciplinary field of study. This study aims to identify several studies that examine the patterns and distinctiveness of health communication research globally and present them visually. The method used is a quantitative paradigm with a bibliometric approach. A total of 1,639 documents will be analysed from the search through Scopus obtained from several specific criteria. The results showed that over the past five years (2019-2023), the increase in the growth of the number of publications related to health communication amounted to 14.07%. The results of the analysis also show Health communication as the source with the most relevant and highest publications totalling 256 articles. The authors who produce the most publications related to this topic include Kim S and Noar SM with 13 articles each. Meanwhile, the country that produces the most correspondence authors and the highest citations is the USA with a total of 787 articles. The most popular keyword is health communication with a frequency of 650 mentions.  This analysis also provides a roadmap for future research in health communication, highlighting untapped areas and encouraging global collaboration in this field.
Examining women journalists in Surabaya: a critical ethnographic media portrait study
Authors: Tripalupi Merry Fridha , Kusnadi Hajidah Fildzah Nadhilah , Irawan Rahmat Edi
Published: December 2024

The current scenario in the public sphere sees women's presence, yet certain professions, including journalism, remain primarily dominated by men. This gender disparity not only affects media policies but also perpetuates stereotypes hindering women's advancement in the industry, thus becoming a subject of interest for the researchers focusing on Surabaya's media landscape. This study aims to analyse the portrait of women in the media by focusing on female journalists in Surabaya, Indonesia. This research used critical ethnography and standpoint theory as a foundation for analysing the phenomenon. Based on the results of the researcher's search, the number of female journalists in Surabaya is at most 30% compared to male journalists. This research uses critical ethnography and standpoint theory, which are used as a foundation to analyse the phenomenon. Based on the results of the researcher's search, the number of female journalists in Surabaya is at most 30% compared to male journalists. The results of this study show clearly that society's norms and stereotypes about gender that do not prioritise female journalists are the cause of discrimination. In fact, this discrimination often occurs unintentionally due to factors in the organisational structure and environment that do not support the inclusion of women. This leads to poor representation of women in the media until there is an endless cycle of the system.
Dynamics of progressive leadership: exploring engagement and interpersonal communication in education
Authors: Purnawanto Ahmad Teguh , Natsir Siti Rahmalia , Sumardjoko Bambang , Prayitno Harun Joko , Narimo Sabar , Khodjaeva Niluvar
Published: December 2024

The transformational educational leadership approach that inspires and motivates teams to achieve extraordinary results is not devoid of any challenges. Educational leaders must be progressive in innovation, inclusiveness, and adaptation to the changing times. They must skilfully communicate emerging challenges to help teams in the educational environment. Perception differences lead to conflicts, thus impacting team communication and collaboration, which in turn affects the achievement of organisational or institution’s goals. This study aims to determine the role of interpersonal communication skills in progressive educational leadership and outline the patterns of interpersonal communication associated in progressive educational leadership. Through the use of narrative literature review methods, these studies show that educational leadership must be progressive in facing the challenges of changing times, and the need for interpersonal communication skills to make this happen. Interpersonal communication is an important element in progressive educational leadership. Many scholarly sources have been reviewed and analysed to support these findings. The study identifies key interpersonal communication skills in progressive educational leadership, such as active listening, clear messaging, empathy, respect for diversity, team collaboration facilitation, effective feedback provision, evidence-based communication, conflict resolution, and the ability to inspire and motivate staff and students. In addition to providing a comprehensive overview of interpersonal communication in progressive educational leadership.
Evolving human resource dimension in Indonesia's digital public relations landscape
Authors: Wachid Ivan Bimantoro , Wulandari Maulina Pia , Nasution Zulkarnain
Published: December 2024

The advancement of technology has transformed the field of public relations in Indonesia, requiring a change in the human resources management to effectively implement digital PR strategies. This study investigates the changing skills and abilities that Indonesian PR professionals require by conducting detailed interviews with five prominent Indonesian public relations practitioners. The results emphasise crucial competencies such as strategic planning, media relations, crisis management, and digital proficiencies. The crucial role of PR associations in directing the future of digital PR through diverse tactics and training programs is also highlighted. This study asserts that the ongoing improvement of digital literacy and strategic abilities is essential. Organisations should establish extensive training programs and cultivate collaborations with professional associations to offer important resources and guarantee competitiveness in the digital era. These endeavours are crucial for promoting and enhancing digital public relations strategies and bolstering organisational communication and reputation in Indonesia.
Structural resistance – competence in social element on digitalisation process of historical archiving
Authors: Marvindo Albert , Isnaini Muhamad
Published: December 2024

Digitisation of archives is an effort to preserve and utilise technology in the field of historical archiving. Archives hold significant value as they serve as authentic evidence and a form of ‘retrieval’ communication between the past, present, and future. The development and implementation of technology, particularly in archiving, are not always fully accepted by the agents who are part of the structure executing the archive digitisation policy. One of the challenges is technological resistance within the social elements of the structure, where the lack of training to improve staff competence is identified as an obstacle in the implementation of the archive digitisation policy. The Adaptive Structuration Theory was used as an analytical lens because it provides a holistic framework on how competence, as a social element, contributes to the success of the archive digitisation policy. The research used a qualitative descriptive method, with a case study approach allowing for more comprehensive research. The research paradigm used was constructivist, viewing knowledge as a social construct emerging from interactions and communication within a sociocultural context.
Debunking disinformation on YouTube: a fact check on the 2024 Indonesian election
Authors: Alamsyah Purnama , Hakim Lukman Nul , Wijaya Gustaf , Wicaksono Arditya
Published: December 2024

The increasing number of hoaxes circulating on digital platforms in Indonesia is concerning. Following the 2024 Indonesian presidential election, the spread of disinformation, specifically on YouTube, has intensified, posing significant risks to public trust and the electoral process. These hoaxes have the potential to destabilise societal harmony and influence voter perceptions. In response, fact-checker institutions have played a critical role in exposing disinformation. This article explores the mechanisms of assessing accuracy on YouTube during the 2024 election, focusing on how Indonesian fact-checking institutions operate. The research used a qualitative approach, with two data collection techniques– interviews with key stakeholders and field observations of fact-checking processes. This research revealed that fact-checking in Indonesia is falling behind the rapid disinformation production. Combating disinformation requires more than current efforts—it demands a coordinated, resource-intensive approach involving the executive, legislative, judiciary, and civil society's active engagement. Innovative policies, technological advancements, and well-trained human resources are imperative to ensure its effectiveness.
Дослідження процесів балансування шліфувальних та швидкісних фрезерувальних верстатів з урахуванням неврівноваженості різального інструменту
Authors:   Національний університет «Чернігівська політехніка», Кальченко Віталій , Цибуля Сергій ,   Національний університет «Чернігівська політехніка», Сахно Євгеній ,   Національний університет «Чернігівська політехніка», Єрошенко Андрій ,   Національний університет «Чернігівська політехніка»
Published: December 2024

У науковій роботі розглянуто процес балансування шліфувальних та швидкісних фрезерувальних верстатів з урахуванням неврівноваженості різального інструменту. Наведено схеми статичного балансування різального інструменту та атестації шліфувального круга за класом неврівноваженості. Розглянуто механізм створення бази даних за допомогою програмного забезпечення Microsoft Access, яке забезпечує інформаційну підтримку при зрівноважуванні шпинделів шліфувальних та швидкісних фрезерувальних верстатів.
Sindiwe Magona: An African Woman Teacher’s Agency for a Decolonised and Afrocentric Education
Authors: Sesanti Simphiwe
Published: December 2024

In 2015, the University of Cape Town’s students who called themselves the Rhodes Must Fall movement, following their call for the removal of British imperialist Cecil John Rhodes’s statue, also demanded a decolonised and Afrocentric education, against a colonial and Eurocentric education still prevalent in institutions of higher learning 21 years after South Africa became a democracy. Cognisant that colonial and Eurocentric education in South Africa affected Africans both in racist and sexist ways, this article examines how Sindiwe Magona’s writings, published since 1990, have practically contributed to realising the yet-elusive decolonised and Afrocentric education. The focus is on Magona as an African woman teacher and writer because she resisted and confronted colonial and Eurocentric education’s racist and sexist manifestations, and advanced decolonised and Afrocentric education in those capacities.
Парадоксальный вторично-эмиссионный масс-спектр лейкоформы метиленового синего
Authors: Косевич Марина Вадимовна , Боряк Олег Анатольевич , Шелковский Вадим Семенович , Зобнина Валентина Георгиевна , Орлов Вадим Владимирович
Published: December 2024

Обнаружено парадоксальное соотношение вторично-эмиссионных масс-спектров красителя метиленового синего и его лейкоформы. В масс-спектре катиона красителя Cat+ (окисленной формы с м. в. 284 Да) регистрируется интенсивный продукт его восстановления с m/z 285, масс-спектр лейкоформы (восстановленной формы с м. в. 285 Да) соответствует окисленной форме с преобладанием пика с m/z 284. Предложено объяснение данного экспериментального факта: окислительно-восстановительные реакции, индуцируемые ионизирующими факторами в условиях вторично-эмиссионных экспериментов, проходят в направлении, разрешенном для конкретной исходной формы редокс-активного соединения: окисленная форма восстанавливается, а восстановленная ‑ окисляется. Учет данного эффекта необходим для правильной идентификации редокс-активных соединений по их вторично-эмиссионным масс-спектрам, а также для моделирования окислительно-восстановительных реакций в системах, содержащих редокс-активные красители, в условиях масс-спектрометрических экспериментов.

Paradoxical relation between secondary emission mass spectra of methylene blue dye and its leuco form is revealed: while the mass spectrum of the cation of the dye Cat+ (the oxidized form with m. w. 248 Da) reveals an abundant peak of  the product of its reduction at m/z 285, the mass spectrum of its leuco form (the reduced from with m. w. 285 Da) corresponds to the oxidized form dominated by a peak at m/z 284. For the  explanation to this experimental fact it is proposed that oxidation-reduction reactions induced by the ionization agents under secondary emission experiment conditions proceeds in the directions favourable for a given form of the redox-active compound , namely, an oxidized form undergoes reduction, whereas the reduced form is oxidized. Accounting this effect is required for correct identification of redox-active compounds basing on their secondary emission mass spectra, as well as for modelling of oxidation-reduction reactions in the systems containing redox-active dyes under the condition of mass spectrometric experiments.
Пропускание квадрупольного фильтра масс с дипольным возбуждением
Authors: Кирилл Евгениевич Серёгин , Николай Витальевич Коненков , Александр Сергеевич Бердников
Published: December 2024

Рассчитаны массовые пики линейного квадруполя на основе численного моделирования траекторий ионов в квадрупольном поле с дипольным возбуждением колебаний ионов. Исходя из полученных данных, представлены зависимости коэффициента пропускания от разрешающей способности, определенной по 10% уровню высоты пика, для идеального квадрупольного поля и поля, создаваемые цилиндрическими электродами. Показано, что использование режима работы фильтра масс с дипольным возбуждением вдоль изо-линии βy=0.01 позволяет увеличить разрешение с R0.1=1000 до R0.1=2200 с 20% пропусканием для случая идеального поля и для поля с круглыми электродами – c R0.1=500 до R0.1= 800.

Using the numerical simulation of the ion trajectories in the linear quadrupole with the dipole excitation(s) the mass peaks are calculated. Using this data the diagrams for transmission versus resolution are calculated both for the ideal quadrupole field and for the quadrupole field with round rods. It is shown that using the dipole excitation mode the resolution may be increased from  to  with 20% QMF transmission in ideal case, and for the round rods the dipole excitation along iso-line  enables to increase the resolution  from 500 to 800 at 20% level transmission.
Применение хемометрических методов анализа данных для идентификации и типизации нефтей и нефтепродуктов
Authors: Болотник Т.А. , Тимченко Ю.В. , Плющенко И.В. , Левкина В.В. , Пирогов А.В. , Смоленков А.Д. , Попик М.В. , Шпигун О.А.
Published: December 2024

Разработан способ идентификации проливов в почве ракетных керосинов (марок РГ-1 и Т-1) и близких к ним по физико-химическим свойствам углеводородных топлив (авиационного керосина марки ТС-1 и дизельного топлива). В основу предложенного варианта идентификации входит предварительное разделение основных компонентов методом газовой хроматографии и их масс-спектрометрическое детектирование, а также обработка полученных данных с помощью хемометрических методов анализа (метода главных компонент и дискриминационного анализа с помощью регрессии на латентные структуры) с помощью программ «MZmine2», «iMet-Q» и «MetaboAnalyst». Проиллюстрирована возможность применения разработанного подхода для типизации насыщенных фракций нефтей, имеющих различное происхождение.

A method for identifying straits of rocket kerosene (RG-1 and T-1 brands) and various types of hydrocarbon fuels in the soil (aviation fuel ТС-1 and diesel fuel) has been developed. The proposed variant of identification is based on the preliminary separation of the main components by gas chromatography and their mass spectrometric detection, and processing of the obtained data with chemometric methods of analysis (principal component analysis and projection on latent structures with discriminant analysis) using the programs "MZmine2", "iMet-Q" and "MetaboAnalyst". The opportunity of application of the developed approach for the typification of  saturated fractions of oils from different origins is illustrated.
ИОН-РЕАГЕНТ H3O+(H2O)n. РАСЧЕТ СТРОЕНИЯ,ТЕРМОДИНАМИЧЕСКИХ ПАРАМЕТРОВ ГИДРАТАЦИИ,РАВНОВЕСНОГО СОСТАВА И ПОДВИЖНОСТИ
Authors: Лебедев А.В.
Published: December 2024

Ион-реагент H3O+(H2O)n широко применяется в спектрометрии ионной подвижности и масс-спектрометрии с химической ионизацией при атмосферном давлении. В настоящей работе получены расчетные данные по строению и свойствам иона-реагента H3O+(H2O)n (n = 0–4), которые представляют интерес для изучения закономерностей химической ионизации, прогнозирования и интерпретации спектров ионной подвижности и масс-спектров. С помощью квантово-химических методов рассчитано строение и уточнен изомерный состав ионов H3O+(H2O)n. Найдено, что ионы с n = 2, 3 и 4 имеют 2, 5 и 15 изомеров соответственно. Определены наиболее стабильные изомеры, которые отличаются разветвленной нециклической структурой с ядром H3O+. Вычислены термодинамические параметры реакций гидратации наиболее стабильных изомеров H3O+(H2O)n (n = 0–3) и равновесный состав иона-реагента в широком диапазоне температур и концентраций паров воды. Полученные результаты согласуются с существующими экспериментальными и расчетными данными. С использованием вычисленных структурных данных и данных о составе иона-реагента рассчитана его подвижность траекторным методом. Достигнута погрешность расчета, близкая к экспериментальной.

H3O+(H2O)n reagent ion is widely used in ion mobility spectrometry and atmospheric pressure chemical ionization mass spectrometry. In this work, the calculated data on the structure and properties of the H3O+(H2O)n (n = 0–4) reagent ion are obtained that are of interest for the study of the chemical ionization regularities, prediction and interpretation of ion mobility spectra and mass spectra. Using quantum chemical methods we computed the structure and refined isomeric composition of the H3O+(H2O)n ions. It is found that ions with n = 2, 3 and 4 have 2, 5 and 15 isomers respectively. The most stable isomers, which had a branched non-cyclic structure with the H3O+ core, are determined. The thermodynamic parameters of hydration reactions of the most stable isomers of H3O+(H2O)n (n = 0–3) and the equilibrium composition of the reagent ion in a wide range of temperatures and concentrations of water vapor are computed. The obtained results are consistent with the existing experimental and calculated data. Using the computed structural data and data on the composition of the reagent ion, its mobility is calculated by the trajectory method. The calculation error close to the experimental one is reached.
Управление разрешением статических масс-спектрометров с помощью промежуточных щелевых диафрагм
Authors: Галль Л.Н. , Бердников А.С. , Антонов А.С. , Саченко В.Д.
Published: December 2024

В работе демонстрируется возможность эффективного повышения разрешающей способности статического масс-спектрометра с помощью оптимальным образом подобранных промежуточных щелевых диафрагм с целью обеспечения минимальной потери его чувствительности.

The paper shows how to increase effectively the resolving power of a static mass spectrometer using the optimally positioned intermediate slit diaphragms in order to ensure a minimum loss of the sensitivity.
viQC: БЫСТРЫЙ И НАГЛЯДНЫЙ КОНТРОЛЬ КАЧЕСТВА ХРОМАТОМАСС-СПЕКТРОМЕТРИЧЕСКИХ ДАННЫХ ПРОТЕОМНОГО АНАЛИЗА
Authors: Горшков М.В. , Горшков В.А. , Сурин А.К. , Соловьева Е.М. , Лобас А.А.
Published: December 2024

Благодаря бурному развитию масс-спектрометрии высокопроизводительный протеомный анализ стал неотъемлемой частью биомедицинских исследований. Однако, наряду с совершенствованием инструментальных методов протеомного анализа, возрастает роль контроля качества получаемых экспериментальных данных. Актуальность этой проблемы была давно осознана научным сообществом, и в последние годы было разработано множество комплексных алгоритмов контроля эффективности всех стадий получения данных. В основе большинства предложенных алгоритмов лежит использование больших наборов параметрических метрик, интерпретация которых требует значительного опыта и глубоких знаний. Более того, многие из них используют информацию об идентифицированных спектрах, что увеличивает время анализа, а также вносит дополнительную неопределенность связанную с параметрами поисковых алгоритмов. В работе предложен набор простых и наглядных метрик качества протеомного анализа, основанные на измеряемых характеристиках масс-спектров первого и второго уровня. Также, разработана утилита открытого кода viQC (hg.theorchromo.ru/viQC),  реализующая предложенный подход. На примере экспериментальных данных с трёх различных масс-спектрометров с орбитальной ионной ловушкой продемонстрирована работа предложенного подхода и утилиты viQC для повышения качества и глубины панорамных протеомных анализов.

Mass spectrometry-based bottom-up proteomics becomes a method of choice in a broad range of biomedical studies. However, because of the growing complexity of the mass spectrometers employed in these studies, there is an increasing need for robust and rapid quality control over the instrument performance. A variety of quality control tools targeting all aspects of LC-MS instrument operation have been developed recently. These tools are typically loaded heavily with a large number of metrics. Many of these metrics are difficult for interpretation for the regular users without extensive instrumentation and/or data processing experience.  In this work, we introduced a new open-source utility viQC freely available at hg.theorchromo.ru/viQC. It implements a number of fast, visually represented, and intuitively understandable metrics including the recently demonstrated semi-supervised method for assessment of the proteomic data quality. The developed tool has been tested experimentally using data from three different Orbitrap instruments and demonstrated its capability for assessing the possible flaws in the instrument’s operation and subsequent improving the efficiency of proteomic analysis.
ОБРАБОТКА МАСС-СПЕКТРОВ ВЫДЫХАЕМЫХ ГАЗОВ НА ОСНОВЕ КОРРЕЛЯЦИОННЫХ АЛГОРИТМОВ
Authors: Манойлов В.В. , Новиков Л.В. , Белозерцев А.И. , Заруцкий И.В. , Титов Ю.А. , Кузьмин А.Г. , Эль-Салим Суад Захер
Published: December 2024

Анализ состава выдыхаемых газов является одним из важных направлений неинвазивной медицины. Диагностика на основе анализа выдыхаемых газов имеет ряд преимуществ по сравнению с традиционными лабораторными методами. Анализ газовой смеси безопасен для персонала, т.к. не связан с работой с химическими и биологическими жидкостями. Он является относительно дешевым, занимает немного времени и позволяет обнаруживать летучие компоненты в выдыхаемом воздухе на уровне следовых концентраций вещества в реальном масштабе времени. В настоящей работе рассматриваются алгоритмы обработки массспектров выдыхаемых газов, полученных на квадрупольном массспектрометре МС7200, с электронной ионизацией и с прямым капиллярным вводом пробы. Кроме того, приведена сравнительная оценка алгоритмов обнаружения спектральных линий в массспектрах, основанных на свертке данных с моделью аппаратной функции или ее производными. В качестве ядер сверток рассмотрены функция Эрмита, гауссова функция и ее производные четных порядков. Приведены результаты оценки увеличения отношения полезного сигнала к шуму в алгоритмах сверток с этими функциями.

Analysis of the composition of exhaled gases is one of the important areas of noninvasive medicine. Diagnostics based on the analysis of exhaled gases have several advantages compared with traditional laboratory methods. Analysis of the gas mixture is safe for staff, because it is not concerned with chemical and biological fluids. The analysis is relatively cheap, takes little time and allows the detection of volatile components in the exhaled gas at trace concentrations level of the substance in real time. This paper discusses the processing algorithms for the mass spectra of exhaled gases obtained on an MC7200 quadrupole mass spectrometer with electron ionization and direct capillary injection of the sample. A comparative evaluation of the algorithms for detecting spectral lines in mass spectra based on data convolution with a model of the response function or its derivatives is given. The Hermite function, the Gaussian function and its derivatives of even orders are considered as convolution kernels. The results of the evaluation of the potential for increasing the signaltonoise ratio obtained by the algorithms of convolutions with these functions are presented
Поверхностная ионизация уротропина на интерметаллиде NaAu2
Authors: Кнатько М.В. , Лапушкин М.Н.
Published: December 2024

Впервые получены экспериментальные масс-спектры поверхностной ионизации уротропина с поверхности интерметаллида NaAu2.

Experimental surface ionization mass spectra of methenamine on the surface of intermetallic NaAu2 were obtained for the first time.
РАЗВИТИЕ МЕТОДА МАСС-СПЕКТРОМЕТРИИ С ПОВЕРХНОСТНОЙ ИОНИЗАЦИЕЙ ДЛЯ ВЫСОКОЧУВСТВИТЕЛЬНОГО И ВЫСОКОСЕЛЕКТИВНОГО АНАЛИЗА МОРФИНА В БИОЖИДКОСТИ
Authors: Ш.Д. Ахунов , Б.Ш. Касимов , Х.Б. Ашуров , Д.Т. Усманов
Published: December 2024

В работе получил развитие метод масс-спектрометрии с поверхностной ионизацией для прямого обнаружения морфина в биожидкости в аналитических целях. Данный метод был впервые использован для исследования морфина, смешанного с человеческой кровью, без предварительного хроматографического разделения и экстракции. Механизм ионизации смеси морфина в биожидкостях вполне соответствовал ранее установленным закономерностям поверхностной ионизации азотосодержащих соединений. Предел обнаружения метода для морфина, смешанного с кровью, составлял десятки пикограмм с линейным диапазоном более двух порядков. Показано, что благодаря высокой селективности метода такой сложный образец можно анализировать без предварительного хроматографического разделения и экстракции, что существенно сократит время анализа образца, а также, благодаря высокой чувствительности метода, уменьшит ложноотрицательные результаты.

A method of surface ionization mass spectrometry for the direct detection and analysis of morphine in biofluid was developed. For the first time, morphine mixed with human blood was studied using this method without preliminary chromatographic separation and extraction. The mechanism of ionization of a mixture of morphine in biofluids was consistent with previously established patterns of surface ionization of nitrogen-containing compounds. The detection limit of the method for morphine mixed with blood was tens of picograms with a linear range of more than two orders of magnitude. It was shown that due to the high selectivity of the method, such a complex sample can be analyzed without preliminary chromatographic separation and extraction, which will significantly reduce the time of analysis of the sample, and also, due to the high sensitivity of the method, reduce false negative results.
Фитохимическое изучение компонентного состава неомыляемой фракции различных видов растительных масел методом газовой хроматомасс-спектрометрии
Authors: C.В. Горяинов , С. Эспарса , А.Р. Борисова , С.В. Орлова , В.В. Вандышев , Ф. Хажжар , Е.А. Платонов , Е.П. Хромченкова , О.О. Новиков , Р.С. Борисов , Г.А. Калабин
Published: December 2024

Предложена методика количественного анализа некоторых компонентов неомыляемой фракции растительных масел, установлены все необходимые валидационные характеристики. Исследован компонентный состав неомыляемой фракции 26 видов растительных масел методом газовой хроматомасс-спектрометрии. Количественное содержание сквалена, стеринов и тритерпеновых спиртов в маслах определено с использованием внутреннего стандарта – холестанола. Установлены зависимости индексов удерживания и особенностей фрагментации в условиях ионизации электронами стеринов и тритерпеновых спиртов от их структуры. Идентифицировано более 150 химических соединений – компонентов неомыляемой фракции. Предложено использовать разработанную методику для оценки количественного содержания стеринов, тритерпеновых спиртов и сквалена в растительных маслах, а также для установления подлинности последних по характеристичным профилям неомыляемой фракции.
ИЗУЧЕНИЕ ЛИГНИНА МЕТОДОМ МАСС-СПЕКТРОМЕТРИИ НА ОСНОВЕ ОРБИТАЛЬНОЙ ИОННОЙ ЛОВУШКИ С ФОТОИОНИЗАЦИЕЙ ПРИ АТМОСФЕРНОМ ДАВЛЕНИИ: РОЛЬ СПЕКТРАЛЬНОГО РАЗРЕШЕНИЯ
Authors: И.П. Пиковской , Н.В. Ульяновский , Н.С. Горбова , Д.С. Косяков
Published: December 2024

Масс-спектрометрия на основе орбитальной ионной ловушки в сочетании с фотоионизацией при атмосферном давлении является перспективным инструментом изучения лигнина, позволяющим детектировать и определять элементные составы тысяч лигнинных олигомеров с молекулярными массами до 1.5–2 кДа. В настоящей работе изучено влияние разрешающей способности масс-анализатора на получаемые масс-спектры лигнина и результаты характеризации молекулярного состава биополимера. В качестве объекта исследования использован препарат малоизмененного диоксанлигнина древесины кедра. Описан эффект подавления сигналов лигнинных олигомеров в области высоких масс при увеличении разрешающей способности масс-анализатора за счет протекания процессов фрагментации ионов в ионной ловушке. Показано, что для проведения скрининговых исследований и определения элементных составов низкомолекулярных фракций лигнина необходимо спектральное разрешение не менее 70 000 (M/ΔM, при m/z 200). Для детального исследования молекулярного состава лигнина требуется использование спектрального разрешения 280 000, позволяющего кратно увеличить число детектируемых олигомеров в области молекулярных масс более 1 кДа, а также надежно идентифицировать сигналы лигноуглеводных комплексов.
Сверхкритическая флюидная хроматография – масс-спектрометрия азотсодержащих соединений: ионизация при атмосферном давлении
Authors: Д.В. Овчинников , Н.В. Ульяновский , Д.И. Фалёв , К.С. Дмитрий
Published: December 2024

Сверхкритическая флюидная хроматография (СФХ) в сочетании с масс-спектрометрией является перспективной альтернативой традиционным хроматографическим методам разделения полярных азотсодержащих соединений. Специфика используемых в данном методе подвижных фаз на основе диоксида углерода может оказывать влияние на процессы масс-спектрометрической ионизации аналитов и, как следствие, стратегию оптимизации метода СФХ-МС. В настоящем исследовании изучено влияние состава подвижной фазы CO2-метанол, скорости ее подачи, а также параметров ионного источника (напряжение на распыляющем капилляре или игле коронного разряда, температура) на эффективность ИЭР и ХИАД широкого круга азотсодержащих соединений разных классов. Установлено, что, благодаря высокой основности аналитов, ИЭР в режиме генерации положительно заряженных ионов является предпочтительным методом ионизации, обеспечивающим кратный выигрыш в эффективности по сравнению с ХИАД для большинства аналитов. Увеличение содержания диоксида углерода в подвижной фазе приводит к существенному росту эффективности ИЭР и разнонаправленно действует на ионизацию аналитов с различным сродством к протону в условиях ХИАД. Увеличение температуры ХИАД приводит к снижению интенсивности сигналов протонированных молекул и развитию процессов фрагментации независимо от состава подвижной фазы для подавляющего большинства аналитов.
Peptide Crystal Hydrates with Context-Adaptive Topology
Authors: Athiyarath Vignesh , Naranjo Elma , Dave Dhwanit , Ridwan Osman Goni , Rodriguez Danilo A. Arturo , Zhu Qiang , Monti Marta , Mirón Gonzalo Díaz , Banerjee Debarshi , Hassanali Ali , Neary Michelle C. , Zhang Sheng , Ulijn Rein V. , Chen Xi
Published: December 2024

Biological systems, including proteins, employ water-mediated supramolecular interactions to adopt specific conformations for their functions. We present a minimalistic approach to capture this behavior, using crystal-hydrates of aliphatic dipeptides with sequence-isomers of leucine (L) and isoleucine (I). These crystals exhibit shallow conformational energy landscapes, with various reconfigurable crystal architectures accessible through changes in sequence, relative humidity, and temperature. Specifically, for LI crystals, as water content changes, the solid-state supramolecular architecture rapidly and reversibly transitions between perpendicular and parallel honeycomb architectures, as well as layered van der Waals structures, leading to significant variations in mechanical and photophysical properties. Our findings demonstrate the potential of leveraging aliphatic hydrophobic domains, inspired by protein architectures, to create dynamic solid-state materials with context-adaptive properties.
Merging Photoexcited Nitroarenes with Lewis Acid Catalysis for the Anti-Markovnikov Oxidation of Alkenes
Authors: Paolillo Joshua , Saleh Mahmoud , Junk Ethan , Parasram Marvin
Published: December 2024

Herein we describe the oxidation of alkenes to carbonyls and acetonides via the interplay of photoexcited nitroarenes and Lewis acid catalysis. A wide range of alkenes were oxidized to aldehyde and ketone products with anti-Markovnikov selectivity, and to acetonides when acetone was employed as a co-solvent. Mechanistic studies support that Lewis acid coordination to the 1,3,2-dioxazolidine intermediate results in a 1,2-shift to generate carbonyl derivatives and a nucleophilic substitution pathway for the formation of acetonides.
Ruthenocenoporphyrinoids - π-Conjugation Transmitted Across 1,3-Substituted Ruthenocene
Authors: Berlicka Anna , Walczak Aleksandra , Białek Michał , Ślepokura Katarzyna , Chmielewski Piotr , Latos-Grażyński Lechosław
Published: December 2024

Synthesis of ruthenocenoporphyrinoids, wherein the [RuCp*]+ moiety coordinates to the cyclopentadienyl π-surface of the 21-carba-23-selenaporphyrin macrocyclic platform has been developed. The NICS 2D maps and EDDB plots gave an insight into the aromaticity and effectiveness of π-conjugation across 1,3-substituted ruthenocene in obtained hybrid molecules.
Walking Together in a Pandemic: Reflections on a Semester of Place, Decolonization, and Classroom Community
Authors: Przybyło Ela , Gonzalez Edcel Cintrón , Minasian Serenah , Sheperd Shawna , Jipson Natalie , Ortiz Anna , Koenig Charlie , Borland Faith
Published: December 2024

In this co-authored reflection by seven graduate students and one instructor, we revisit the “Apocalyptic Feminisms” graduate class taught in Fall 2020, at the height of the pandemic, in which students were asked to engage with interdisciplinary writing on the Anthropocene and to hone their own feminist praxes through going on and documenting their walks. We reflect on the “Walk and Movement Reading Instagram Engagements” assignment, exploring what walking can offer to deepen theoretical, methodological, and praxis-based approaches to environmental and place-based learning. We do this by writing from a cascading voice approach, where each reflection stands on its own and together builds into a whole greater than its parts. Following on an introduction to the course and assignment, we begin with a conceptual outlining of the meanings of place, decolonization, and academic community. Next, each of the graduate student collaborators responds to the following prompt, “How did the walking project on IG [Instagram] influence how you thought about questions of place, decolonization, and classroom community during a pandemic?” Each co-author develops a robust engagement with this question drawing on their own pandemic Fall 2020 semester, their photographs from the course, and the insights and practices they developed in conversation with each other throughout the span of the semester. Together, this reflection offers thoughts on the feminist and place-based utilities of walking pedagogy as well as, through collaboration, challenges the very way in which academic scholarship is done at the site of the late capitalist academy and its topos of success, competition, and meritocracy.
Art, Heart, and Pedagogy for Social Change
Authors: Brule Elizabeth , Kredl Katya , Vaillancourt Juliette , Zhao Elise
Published: December 2024

This article is a collective discussion with undergraduate students about their work in a second-year gender studies course. The discussion shares how active engagement in collective art production for social change can provide the seeds for decolonial, anti-racist and anti-ableist pedagogical practice. The course encourages students to actively engage in the classroom, raise questions and concerns about social justice, and implement ways to challenge social relations of power. Students work collectively on projects using a range of alternative ways of knowing, including sensory, heart, intellectual, and spiritual knowledge, to connect with the course material in creative ways. The article is a conversation with three students in the course and the work they produced. They discuss the various mediums they used, including poetry, collaging, and a case study of artists’ street art. The students touch on the politics of joy, self-care, heart knowledge, politics of suffering, and accessibility, illustrating how combining art with various ways of knowing has helped them develop deeply analytic, compassionate, and relational work for social change. The work affirms ways of knowing that have often evolved outside the colonial academic institution. The anti-racist, anti-colonial, anti-ableist, feminist and Indigenous pedagogies used in the course help to pluralize constructive capacities for more decolonizing, equitable, inclusive, anti-racist and expansive educational futures.
How to Read When the World is on Fire
Authors: Patel Shyam
Published: December 2024

As Mishra Tarc (2020) does through her evocative words on engaging texts today, I contemplate how texts, specifically children’s books, open pedagogical possibilities to reckon, repair, and reworld in a world that is on fire. From climate change to racial justice, it is children’s books, I believe, that can serve as pedagogical interventions and responses for teachers and teacher educators who are interested in addressing and confronting these complex and sometimes ineffable issues. I offer a glimpse of this approach through my practice as an elementary school teacher, a teacher candidate, and a teacher educator. Through these experiences, I consider how children’s books open up productive conversations around “difficult” and “hard” topics while also grappling with the ongoing questions that remain in my practice. Turning to children’s books, I outline both the immense potential of and need for using texts in the field of education. Immersing texts pedagogically and as a site of study, I hope, animates a renewed significance in supporting students to examine and tackle the issues confronting them.
An Intervention in Educational Inquiry: Re-membering, Honoring and Practicing a River’s Ways of Knowing and Being
Authors: Forte Magali
Published: December 2024

Answering this special issue’s call to reckon, repair and reworld, and following an ethical imperative to re-think social and educational structures, I turn to the wisdom of rivers. In the current settler colonial climate of near inertia that we live in, there is an urgent need to reckon with ways of being and knowing that go beyond the mainstream taken-for-granted habits of conventional educational research. Thinking with Indigenous perspectives, I problematize the Eurocentric worldview I was raised in and consider, in my capacity as a non-Indigenous educator and inquirer, some principles rivers can teach about educational inquiry. A series of photographs of the Chehalis River and personal vignettes allow me to trace and articulate a feminist and decolonial approach to my own inquiry. I consider how reciprocity, language and movement – three teachings gifted by the river – invite me to be, think, and act as an educator and an inquirer engaged in reconciliation. As many rich and diverse Indigenous perspectives have always reminded us, we have a responsibility to listen to and care for all our relatives, human and more-than-human. This is one important way we can work to transform our collective thinking, actions and future in education.