bluuebunny/crossref_metadata_2025 huggingface dataset:
Assessing the Evolution of the Energy Mix Worldwide, with a Focus on the Renewable Energy Transition
Authors: Stancu Stelian , Pernici Andreea
Published: December 2023

In the current context, the focus on optimizing energy distribution is intensified by high-impact events such as resource scarcity, import dependence, war, inflation, or environmental threats. As a consequence, international agencies have built extensive policies and targets that will reflect directly into the general energy distribution. One of the most crucial would be the 65% share of electricity that is bound to be generated from renewables until 2030. To study the feasibility of that goal, we will analyze the evolution of the energy mix worldwide in the last two decades, identifying the shift towards alternative energy sources, while also pinpointing the agents of change in terms of the low-carbon transition. The methodology will consist of a bootstrap clustering algorithm that has been computed for 3 moments: 2000, 2010, and 2020, generating clear differences in terms of energy distribution. In the second part of the paper, we have employed an ARIMA model that aims to predict the share of renewable energy by 2030, with the worrying conclusion that if the current rhythm continues, the goal will not be met and the climate could face severe consequences. Therefore, the paper significantly contributes to the methodological void in terms of bootstrap clustering applicability, while also illustrating a complete energy picture from a geographical and time perspective.
The Russo-European Gas Trade and the Position of Southeast Europe between the Great Actors: Neo-imperialism, Conflict–Cooperation Perpetuum, and Soft Balancing
Authors: Boban Davor
Published: December 2023

The article analyses the Russian neo-imperialist strategy in the gas trade in Southeast Europe (SEE) and the reactions of the EU and the region’s countries to this. The first argument in the article is that the existence of favourable political, social and economic preconditions is necessary for the application of a neo-imperialist strategy. The second argument is that an individual country’s geographical position determines Russian interest in building transit pipelines on its territory. Because the gas trade exists in the framework of the conflict-cooperation perpetuum between the interested parties, the third argument is that this provokes a reaction from the EU and the affected countries in the form of soft balancing. This approach is intended to curb Russia’s power, but not to completely break a gas trade with this country. As the EU has been making efforts to counteract Russian geo-economic power by promoting diversification of the gas supply and funding new gas infrastructure projects, Russian influence in the region has been decreasing in recent years.
Expert Knowledge on Environmental Peacebuilding: the social context of its diffusion in international politics and what it says about it
Authors: Waisová Šárka
Published: December 2023

In the last two decades, environmental peacebuilding (EPBL) has become a rapidly growing field of research and practice and today, EPBL is embedded in academia, policy making, and education, as well as in practice. The goal here is to learn more about the social complexity and context of the production of expert knowledge on environmental peacebuilding (EPBL) and its diffusion in international politics in the period from 1990s to 2008. It was also discussed what the analysis of social context says about EPBL, and its diffusion. We conclude that as expert knowledge, EPBL emerged in practice, not in academia, and developed within narrow relations in a very small group of conservationists, scholars, and practitioners. Since the end of the 1990s, EPBL has spread globally, being distributed because it has been collectively enacted through relations and mediated by the intersubjective meanings and artefacts such as guidelines, projects, policies, conferences, reports, and books.
Unveiling The Neuropathology Tumour Landscape: 10-Year Statistical Analysis With Global Comparison – Single Centre Experience
Authors: Zdravkovski Panche , Ilievski Boro , Rendevski Vladimir , Chaparoski Aleksandar , Filipce Venko , Zupanoski Aleksandar , Gavrilovska Aleksandra Dimovska , Shuntov Blagoj , Stolevski Vlado , Stojkovski Igor , Lazareska Menka , Rendevska Ana Mihajlovska , Petrushevska Gordana
Published: December 2023

Introduction: Central nervous system (CNS) tumours represent a significant public health issue worldwide, and their incidence and distribution vary across different populations. Although studies on CNS tumours have been conducted in various countries, there is a lack of information regarding their patterns in Macedonia. Therefore, this study is aimed at investigating the distribution, histopathological types and subtypes and demographic features of CNS tumours in our country.

Materials and Methods: A cross sectional study was conducted using the electronic database of the Institute of Pathology – Medical Faculty, University “Ss. Cyril and Methodius” in Skopje which contains data from 3286 received and analysed surgical specimens, mainly from the University Clinic of Neurosurgery in Skopje, and a smaller number of surgical specimens from the University Surgical Centre “St. Naum Ohridski” in Skopje between 2012 and 2022. The collected and analysed data includes patient age, sex and histopathological types and subtypes of the tumours.

Results: The majority of CNS tumours were diagnosed in adults aged between 50-70, with a male to female ratio of 1.5:1. The most common location of the tumours was the cerebrum, followed by the pituitary gland and cerebellum. The most frequent histological groups were gliomas, with glioblastoma as the most common diagnosis, followed by meningiomas.

Conclusion: Following a detailed and thorough review of the CNS tumours in our study, we can conclude that the R. of Macedonia follows global statistics and trends regarding brain tumours.
Anesthetic Chalenges And Managment In Patient With Ataxia- Telangiectasia
Authors: Jovanovski-Srceva Marija , Kondov Goran , Kartalov Andrijan , Georgiev Antonio , Kuzmanovski Igor , Osmani Bujar , Andov Mishel , Gavrilovska-Brzanov Aleksandra , Jakupi Nexhati , Stevic Marija , Stojanoski Sinisa
Published: December 2023

Louis-Bar Syndrome is a synonym for a very rare complex neurodegenerative disorder ataxia-telangiectasia (A-T). This is an autosomal recessive inherited disease that encompasses abnormalities in the cerebellum, multisystem degeneration, immunodeficiency, increased risk for malignancy and consecutive respiratory insufficiency. Most of the patients are radiosensitive and any exposing to ionization may lead to progression of the disease. Potential risks from anesthesia, mechanical ventilation, and postoperative complications in these patients have been insufficiently discussed in the literature. We present a successful anesthetic and respiratory management with one-lung ventilation in a patient with Louis-Bar Syndrome who underwent video assisted thoracoscopy (VATS) for recurrent pleural effusion.
Psychological Alienation and Feeling of Self-Efficiency in Young Male and Female Adults
Authors: Zorcec Danijela , Cepreganova-Cangovska Tatjana , Zorcec Tatjana
Published: December 2023

In psychology, alienation is a condition of being separated or marginalized from other individuals or some larger segment of society. Self-efficacy is an individual’s belief in their capacity to act in ways necessary to reach specific goals.

This study was conducted to investigate the possible connectivity between psychological alienation and feelings of self-efficiency among young male and female adults. The study was conducted in April 2023, among 167 young people, aged 18-25 (M=22.28 ± 1.7SD). For this purpose, we used the Scale for psychological alienation and General self-efficacy.

Results showed that there is a significant negative correlation between alienation and self-efficacy, meaning that the higher psychological alienation is, the lower self-efficacy is (t=−0.627; <0.001). There is a statistically significant difference between young male and female adults regarding alienation (t=−5.592; <0.001) e. g. males are reporting to be more alienated than females. Also, there is a statistically significant difference between young male and female adults regarding feeling of self-efficacy (t=4.692; <0.001) e.g. males feel less effective than females and in the scale for measuring meaninglessness (t=−2.966; 0.003) e. g. males feel more meaninglessness than females.

In conclusion, psychological alienation and self-efficacy are correlated and there are gender differences regarding the two measured variables, in favor of the females.
Employment, Entrepreneurship, and the “Švarc-system” from the Social Development Point of View
Authors: Tomášková Eva , Neckář Jan
Published: December 2023

Economic activity based on producing goods and services is essential for the development of any society. Individuals can carry out this economic activity in dependent activities (employment) or entrepreneurship (self-employment). A third way is the so-called „Švarc-system,” which is not legal in the Czech Republic. It is a situation where persons performing normal activities for the entrepreneur in a dependent relationship are not his employees but formally act as self-employment. There are currently discussions about the legalization of the system among politicians and experts. This article introduces how labor and tax law regulations influence attitudes toward economic activity and development. The research methods to achieve this aim include description, critical analysis, and synthesis. The findings described in this article are that the Švarc-system based on self-employment allows greater freedom for employers and employees and smaller payments to public budgets than forms of dependent activities. A high level of autonomy increases development in various areas and helps social development. The implication falls into practical rather than theoretical fields. Therefore, regulation in this area should be lowered to support further development. This article’s originality is that it reflects on the academic impacts of the legalization of the system from legal and economic points of view. These conclusions should help reflect on the regulation of legislation in this field.
O uso do Canabidiol como terapia nas disfunções do sono e do bruxismo: Revisão integrativa
Authors: Da Rocha Pereira Silva Laura Maria , Oliveira Francisco Martins Luisa , Moreira Jardim João Carlos
Published: December 2023

Introdução: A cannabis sativa apresenta THC (tetracanabidiol), seu uso leva a um efeito miorrelaxante, seu uso deve ser regrado porque, se usado em grandes quantidades pode causar intoxicação. Objetivo: Analisar bibliograficamente o efeito da cannabis para o tratamento das disfunções do bruxismo e sono associados. Metodologia: Trata-se de uma revisão integrativa de literatura embasada em artigos da base de dados do portal PubMed, empregando como critérios de seleção, artigos publicados entre os anos de 2014 a 2022 e de língua portuguesa e inglesa. Resultados: A busca resultou em 8 artigos que correspondiam aos filtros selecionados no final dos critérios de exclusão. Conclusão: Conclui-se que, o THC possui efeito miorrelaxante sobre os músculos da mastigação e no sistema nervoso central, promovendo alívio contínuo principalmente no bruxismo do sono.
Conservative treatment of iatrogenic tracheal rupture (clinical case)
Authors: Sytov A. V. , Kononets P. V. , Shin A. R. , Budargin E. E. , Bugaev V. E. , Grishenkin I. Yu.
Published: December 2023

The objective was to demonstrate a clinical case of iatrogenic injury of the trachea, which, despite its large size (length 65, width up to 25 mm), wastreated conservatively and, thus, avoided risks for the patient associated with the need for technically complex surgical intervention.

Materials and methods. A 65-year-old patient diagnosed with peripheral cancer of the lower lobe of the left lung pT2aN0M0 stage IB, who routinely underwent thoracoscopic left lower lobectomy with mediastinal lymph node dissection. During anesthesia, tracheal intubation with a double-lumen tube of the R. Shaw type was carried out with technical difficulties; during intubation, a defect in the posterior wall of the trachea in its membranous part was formed. The defect was diagnosed on the first postoperative day.

Results. Despite the large size of the tracheal defect, the patient had no symptoms of respiratory failure, and there were also no signs of mediastinitis or damage to the esophagus, which almost completely covered the resulting hole in the posterior wall of the trachea. Such circumstances made it possible to avoid a potentially dangerous and complex surgical intervention, carry out conservative therapy and wait for the resulting defect to heal through granulation tissue. Enhanced antimicrobial therapy was carried out; in order to sanitize the tracheobronchial tree and monitor healing, fiber-optic bronchoscopy was performed, which made it possible to clearly demonstrate both the damage itself and the stages of its healing.

Conclusions. The described case clearly demonstrates the potential for healing of even very extensive tracheal wall defects with conservative therapy. However, it is important to note that success in this clinical case was the result of a combination of circumstances – only the membranous part of the trachea was damaged; the defect was almost completely covered by the intact esophagus, which reduced the risk of developing mediastinitis and prevented the development of severe pneumomediastinum and subcutaneous emphysema. There were no signs of respiratory failure. The patient was transferred from the intensive care unit on the 13th day of the postoperative period, discharged from the hospital on the 22nd day.
RELATO DE VIVÊNCIAS DA PANDEMIA DA COVID-19 E RELAÇÃO COM O COMER POR EMOÇÕES
Authors: Rolfsen Ana Laura Amaro , De Carvalho Moraes César Henrique , Sumico de Lima Uyeno Jordão Karyne
Published: December 2023

Introdução: Apesar dos cursos da área da saúde abordarem temas relevantes sobre a saúde física e mental, é escassa a literatura, sobretudo estudos de desenho transversal que investigam as influências do pertencimento a área da saúde em universitárias em um ambiente pandêmico, sobre o potencial comportamento alimentar de restrição. Objetivo: Investigar a relação entre o pertencimento a área da saúde (comparados ao grupo controle – aqui considerados não pertencentes à área da saúde) sobre o comportamento alimentar de restrição estratificando os dados segundo faixa etária, situação socioeconômica, curso superior e estado nutricional. Métodos: 93 participantes matriculadas em um curso superior foram convidadas a responder um questionário  (The Three Factor Eating Questionnaire, versão reduzida de 21 itens - TFEQ-R21) com dados pessoais, situação socioeconômica e situação pandêmica para verificação de possíveis efeitos sobre uma variável que pontua o nível de restrição alimentar; os dados foram analisados utilizando como método estatístico ANOVA e correlação de pearson. Resultados: Foi evidenciado uma diferença significativa entre a alimentação emocional e o impacto da pandemia sobre a saúde mental. Conclusão: Há relação entre a alimentação emocional e o impacto da pandemia sobre a saúde mental de mulheres universitárias. Embora não tenha sido verificado os efeitos da restrição alimentar sobre o pertencimento a área da saúde, mantém-se a necessidade de investigações para melhor compreensão.
Integrating Pedagogy and Practice: The Impact of Academic Service Learning in the TEFL Context in Higher Education
Authors: Chen Ai-hua
Published: December 2023

This study explored the transformative potential of academic service learning (ASL) within a Taiwanese university setting in the context of teaching English as a foreign language. The participants were students majoring in English, enrolled in a semester-long English teaching course. Their academic service-learning project involved teaching English to students in rural primary schools. By adopting both quantitative and qualitative approaches, this study illuminated how ASL influences students’ academic, personal, and interpersonal development. Quantitative findings revealed a significant level of satisfaction with the ASL course and noted substantial gains in personal growth, professional development, and civic engagement domains. As for the qualitative data, the study brought forth the concrete ways in which the academic service-learning curriculum has augmented students’ professional knowledge, skills, and attitudes. While the results aligned with many previous studies asserting the benefits of service learning in enhancing academic and practical learning outcomes, they also shed light on the potential areas of improvement, particularly in fostering civic engagement. Overall, this study underscored the transformative potential of a well-structured academic service-learning curriculum in enriching student learning experiences, bridging the gap between theoretical knowledge and real-world application, and cultivating a deeper sense of civic responsibility.
Development of idiopathic eruptive macular pigmentation in an 11-year-old boy
Authors: Trofimov Pavel N. , Vladislav Khairutdinov R. , Belousova Irena E. , Fedotova Maria A.
Published: December 2023

A case of idiopathic eruptive macular pigmentation in a child demonstrates a variant of skin hyperpigmentation of uncertain etiology. We described an 11-year-old boy with light brown spots in the torso and limbs that developed against the background of normal skin without an established provoking factor. On examination, it was found that the disease had developed within one year. Initially, the process was localized to the elbow folds and axillary areas, but later the rash spread to the trunk, neck and extremities. No inflammatory changes were observed at the base of the rash elements. The patient was examined for the presence of diseases that could underlie the skin manifestations, and histological examination was performed to verify the diagnosis. The established diagnosis of idiopathic eruptive macular pigmentation made it possible to choose a wait-and-see approach in treating the patient, due to the available literature data on the self-resolution of this pathology and ineffectiveness of the availabledermatosis treatment options.
Pathogenetic therapy of rosacea with systemic tetracyclines
Authors: Samtsov Alexey V.
Published: December 2023

The article presents modern data on the pathophysiology of rosacea and diagnostic criteria for dermatosis. The historical aspects of the introduction of systemic tetracyclines into the therapy of rosacea are outlined. The effect of doxycycline and minocycline on the mechanisms of rosacea development is covered in detail, taking into account modern ideas about the pathogenesis of the disease. At the same time, the advantage of minocycline, compared with doxycycline, is noted, which is manifested by a more pronounced anti-inflammatory effect, as well as a higher antibacterial efficacy, which allows the use of low dosages of minocycline and thereby reduces the risk of adverse events, especially from the gastrointestinal tract. The data of various studies are presented, indicating the expediency of prescribing subantimicrobial doses, as well as the results of evaluating the effectiveness and safety of domestic minocycline — minoleksin. It has been proven that the effectiveness of tetracyclines is associated with a pathogenetic effect on innate immunity reactions, with a pronounced anti-inflammatory effect, especially minocycline, suppression of a number of microorganisms, which, apparently, are not a key link in the pathogenesis of rosacea but can be a trigger factor and initiate inflammation. In addition, minocycline most effectively inhibits the activity of metalloproteinases and increases epidermal hydration.
PUVA photochemotherapy for the patients with atopic dermatitis
Authors: Chikin Vadim , Karamova Arfenya E. , Znamenskaya Lyudmila F.
Published: December 2023

PUVA therapy (photochemotherapy) has anti-inflammatory, immunosuppressive and antiproliferative effects, which makes it possible to use it for the treatment of patients with chronic inflammatory skin diseases, including atopic dermatitis. At the same time, there are no summarized data on the results of PUVA therapy in patients with atopic dermatitis. In this regard, the effectiveness and safety of PUVA therapy in patients with atopic dermatitis was evaluated according to the scientific literature. Literature search was carried out using the keywords “atopic dermatitis” “PUVA therapy”, “photochemotherapy” in the databases of scientific publications PubMed and RSCI. The methods of irradiation used, as well as the effectiveness and safety of PUVA therapy in patients with atopic dermatitis were analyzed. 14 publications were found describing the results of 13 studies that evaluated the effectiveness of various methods of PUVA therapy in patients with atopic dermatitis — photochemotherapy with peroral use of a photosensitizer, photochemotherapy with its topical use, and PUVA baths. All studies have shown the effectiveness of PUVA therapy in patients with atopic dermatitis. Nevertheless, the limitations of using this method are noted — the possibility of the development of adverse events caused by ultraviolet irradiation and taking a photosensitizer, which requires a careful assessment of the benefit-risk ratio for the patient when prescribing PUVA therapy to patients with atopic dermatitis. According to the available literature data, PUVA therapy should be prescribed to adult patients with severe atopic dermatitis who have had insufficiently effective other therapy.
Efficacy of human living skin equivalent in the treatment of inherited epidermolysis bullosa
Authors: Karamova Arfenya E. , Kubanov Alexey A. , Vorotelyak Ekaterina A. , Rogovaya Olga S. , Chikin Vadim V. , Nefedova Mariya A. , Monchakovskaya Ekaterina S.
Published: December 2023

Background. Inherited epidermolysis bullosa is a group of genetic skin disorders caused by mutations in genes encoding structural proteins of epidermis and dermo-epidermal junction. Clinical manifestations are characterized by spontaneous or trauma-induced skin and/or mucosal blistering, and extensive wounds. The use of tissue-engineered skin substitutes composed of allogeneic human skin cells is considered to be a perspective therapeutic approach in improving wound healing process.
Aims. To assess safety and efficacy of human skin equivalent in the treatment of inherited epidermolysis bullosa patients
Methods. 7 patients (5 female and 2 male subjects) from the age of 20 to 55 with inherited epidermolysis bullosa with different clinical subtypes were enrolled in the study: 3 patients with intermediate recessive dystrophic epidermolysis bullosa, 2 patients with severe recessive dystrophic epidermolysis bullosa, 1 patient with dominant dystrophic epidermolysis bullosa and 1 patient with junctional epidermolysis bullosa. Transplantation of composite allogeneic living skin equivalent comprising allogeneic keratinocytes and fibroblasts in low concentration (5 mg/ml) embedded within a type I collagen gel matrix was performed. The living skin equivalent was developed at N.K. Koltsov Institute of Developmental Biology. 19 erosions and ulcers with a surface area between 0.4 and 120 cm2 were evaluated. At day 14 clinical assessment was performed. To assess level of expression immunofluorescence antigen mapping was used.
Results. At day 14 complete erosion closure was achieved in 10 (53%) erosions. 4 (21%) erosions reduced in size 75%. Size reduction between 25 and 75% was shown in a single (5%) case, no clinical efficacy was demonstrated in 4 (21%) cases. Collagen VII expression increased comparing to baseline level and accompanied clinical improvement.
Conclusions. The obtained data showed clinical efficacy of topical treatment with living skin equivalent, although no statistically significant difference was seen between living skin equivalent and atraumatic non-adhesive dressings.
The effect of air temperature on thawing depth of the road base
Authors:   Melnikov Permafrost Institute of the Siberian Branch of the Russian Academy of Sciences, Galkin A.F. , Plotnikov N.A. ,   Melnikov Permafrost Institute of the Siberian Branch of the Russian Academy of Sciences, Pankov V.Y. ,   М. К. Ammosov North-Eastern Federal University
Published: December 2023

The paper is aimed at a quantitative assessment of the air temperature influence degree on the depth of seasonal thawing of the road soil bases in the permafrost zone. The authors propose a simple algorithm for assessing the influence of the main initial values and the accuracy of their determination on the final result of calculating the depth of soil thawing. They have established that for each value of the average air temperature there is a specific value of the required accuracy of setting it when charring out thermal calculations, which will avoid errors in determining the depth of soil thawing that is greater than what is permissible in engineering practice.
DUODENAL BLEEDING AS A COMPLICATION OF AORTIC ANEURYSMS
Authors:   Grodno State Medical University, Grodno, Belarus, Prokopchik N. I. ,   Grodno Regional Clinical Pathology Bureau, Grodno, Belarus, Khilmanovich V. A. ,   Grodno Regional Clinical Pathology Bureau, Grodno, Belarus, Shiman O. V. ,   Grodno State Medical University, Grodno, Belarus, Yurchuk E. N. ,   Grodno Regional Clinical Pathology Bureau, Grodno, Belarus
Published: December 2023

Background. Gastrointestinal bleeding of non-ulcerative etiology remains an urgent problem of modern medicine. An aorto-intestinal fistula caused by an aortic aneurysm is one of the rarest causes of intestinal bleeding. Objective. To study the incidence of an aortic aneurysm with a complicated course according to autopsy data and to present a description of a rare case of an aortic aneurysm complicated by the formation of a duodenum fistula, profuse intestinal bleeding with a fatal outcome. Material and methods. The object of the study was the protocols of 2050 autopsies performed in Grodno over 2021-2022, among which in 40 (1.95%) cases the presence of an aortic aneurysm was established. In one case an abdominal aortic aneurysm was complicated by the formation of a fistula with the duodenum and profuse intestinal bleeding which became the direct cause of death. Results. The abdominal aorta was found to be involved in the pathological process in 32 (80.0%) dissections. Along with complications typical for an abdominal aortic aneurysm (bleeding into the retroperitoneal space and abdominal cavity) in 1 (3.1%) of 32 autopsies there has been revealed a formed anastomosis between the aorta and the duodenal lumen which was the cause of intestinal bleeding with fatal outcome. The clinical manifestations of the disease caused difficulties in interpreting the causes of intestinal bleeding. As a result, the fatal complication of an aortic aneurysm was recognized only on the 27th day after hospitalization, 1.5 hours before the patient’s death. Conclusions. The presented clinical case confirms that timely diagnosis of abdominal aortic aneurysms complicated by the formation of fistulas with the intestine is a rare diagnostic challenge. A particular feature of such complications is the fact that patients who are initially in a very serious condition are out of sight of vascular surgeons which leads to a delay in the provision of timely specialized care.
SURGICAL TREATMENT OF EXTRAINTESTINAL AMOEBIASIS WITH THE DEVELOPMENT OF RIGHT LOBE LIVER ABSCESS
Authors:   Grodno State Medical University, Grodno, Belarus, Belyuk K. S. , Shyla R. S. ,   Grodno State Medical University, Grodno, Belarus, Soroka O. S. ,   Grodno University Clinic, Grodno, Belarus, Gavina N. L. ,   Grodno University Clinic, Grodno, Belarus, Karasik E. D. ,   Grodno State Medical University, Grodno, Belarus, Kharlamova P. A. ,   Grodno State Medical University, Grodno, Belarus
Published: December 2023

Background. Due to the polymorphism, low prevalence in RB and in turn the difficulty of diagnosis, the treatment of extraintestinal amoebiasis is an important issue of surgery. Objective. To demonstrate the results of surgical treatment of a patient with amebic liver abscess. Material and methods. The article presents its own clinical observation of the surgical treatment of amebic liver abscess. The patient underwent drainage of the right liver lobe abscess under the laparoscopic control according to the method developed in the clinic. Results. The patient was discharged in satisfactory condition for further out-patient follow-up by the surgeon and infectious disease doctor at the place of residence. There were no repeated appeals and admissions. Conclusions. Clinical observation indicates the need for combined treatment of amoebic liver abscesses using external drainage in combination with conservative therapy, including the use of broad-spectrum antibiotics and metronidazole.
Performance study of the architecture-independent VGL framework for efficient implementation of graph algorithms
Authors: Личманов Д.И. , Афанасьев И.В. , Воеводин В.В.
Published: December 2023

В настоящее время графовые алгоритмы очень часто применяются для решения различных задач моделирования, поскольку многие реальные объекты хорошо моделируются графами (например, дорожная сеть или социальные связи). При этом эффективная реализация таких алгоритмов зачастую очень сложна, что связано, в частности, с нерегулярным доступом к памяти при работе с графами и огромным размером входных графов. Помочь с решением этой проблемы могут графовые фреймворки — программные среды для решения графовых задач. Ранее был разработан архитектурно-независимый фреймворк VGL (Vector Graph Library), позволяющий эффективно реализовывать графовые алгоритмы на различных аппаратных платформах (на многоядерных процессорах с векторными расширениями, графических ускорителях и векторных процессорах NEC). В данной работе было проведено изучение производительности VGL на разных платформах, выполнено сравнение производительности с существующими аналогами, а также предложен и апробирован подход для автоматического выбора формата входного графа на основе методов машинного обучения.

Graph algorithms are currently often used to solve various modeling tasks, since many real-life objects are well modeled by graphs (for example, a road network or social connections). At the same time, the efficient implementation of such algorithms is often very complex, which is due, in particular, to irregular memory access when working with graphs and the huge size of the input graphs. Graph frameworks — software environments for implementing graph algorithms — can help solve this problem. Previously, an architecture-independent VGL (Vector Graph Library) framework was developed that allows for efficient implementation of graph algorithms on various hardware platforms (multi-core processors with vector extensions, graphics accelerators and NEC vector processors). In this work, the performance of VGL was studied on different platforms, its performance was also compared with existing analogues, and an approach for automatic selection of input graph format based on machine learning methods was proposed and evaluated.
Accessing Thiols Directly from Carboxylic Acids and Elemental Sulfur by Multimodal Acridine Photocatalysis
Authors: Porey Arka , Fremin Seth , Nand Sachchida , Trevino Ramon , Hughes William , Dhakal Shree Krishna , Nguyen Viet , Greco Samuel , Arman Hadi , Larionov Oleg
Published: December 2023

The thiol group is one of the most biologically important and synthetically versatile organosulfur functionalities that can serve as a central entry point to a wide range of other sulfur-containing functional groups. Despite their cross-disciplinary importance, synthetic access to thiols largely remains dominated by two-electron-mediated processes based on toxic and uneconomical reagents and precursors. We report herein a photocatalytic access to thiols that for the first time merges the structural diversity of carboxylic acids with the ready availability of elemental sulfur, whose radical reactivity is significantly underexplored. The two-phase radical process is facilitated by a multimodal catalytic reactivity of acridine photocatalysis that enables both the PCET-mediated decarboxylative carbon–sulfur bond formation and the previously unknown radical reductive disulfur bond cleavage by a photoinduced HAT process in the silane–acridine system.
Metal-ligand dual-site SAzyme with uricase-like mechanism for specific uric acid oxidation
Authors: Wang Kaiyuan , Hong Qing , Zhu Cai , Xu Yuan , Li Wang , Chen Wenhao , Gu Xiang , Chen Xinghua , Fang Yanfeng , Shen Yanfei , Liu Songqin , Zhang Yuanjian
Published: December 2023

In nature, coenzyme-independent oxidases have evolved in selective catalysis using isolated substrate-binding pockets. Single-atom artificial enzymes (SAzymes) are promising to simulating enzyme-like active centers, but owing to the lack of recognition sites, the specificity requiring in identifying multiple substrates simultaneously is a formidable task. Here we report an unprecedented metal (Ni)-ligand (3,3'-diaminobenzidine, DAB) dual-site SAzyme (Ni-DAB) that exhibited remarkably selectivity in uric acid (UA) oxidation. Experiments and theoretical calculations confirmed that like uricase Ni-DAB had an synergistic isolated dual sites, in which the Ni metal center and the C atom in the ligand served as the specific UA and O2 binding sites, respectively. As a potential application, a Ni-DAB-based biofuel cell using human urine was constructed. This work unlocks a new approach of synergistic isolated dual sites in boosting the selectivity of artificial enzymes.
(Supra)molecular adaptation by coupled stimuli
Authors: Dünnebacke Torsten , Niemeyer Niklas , Baumert Sebastian , Hochstädt Sebastian , Borsdorf Lorenz , Hansen Michael Ryan , Neugebauer Johannes , Fernández Gustavo
Published: December 2023

Adaptation transcends scale in both natural and artificial systems, but delineating the causative factors of this phenomenon requires urgent clarification. Herein, we unravel the molecular requirements for adaptation and establish a link to rationalize adaptive behavior on a self-assembled level. These concepts were established by analyzing a model compound exhibiting both light- and pH-responsive units, which enable the combined or independent application of different stimuli. On a molecular level, adaptation arises from coupled stimuli, as the final outcome of the system depends on their sequence of application. However, in a self-assembled state, a single stimulus suffices to induce adaptation as a result of collective molecular behavior and the reversibility of non-covalent interactions. Our findings go beyond state-of-the art (multi)stimuli-responsive systems and allow us to draw up design guidelines for adaptive behavior both at the molecular and supramolecular level, which are fundamental criteria for the realization of intelligent matter.
Hemicellulose Pyrolysis: Mechanism and Kinetics of Functionalized Xylopyranose
Authors: Ayarde Henríquez Leandro , Lupi Jacopo , Dooley Stephen
Published: December 2023

This work analyzes the thermochemical kinetic influence of the most prominent functionalizations of the β-D-xylopyranose motif, specifically 4-methoxy, 5-carboxyl, and 2-O-acetyl, regarding the pyrolytic depolymerization mechanism. The gas-phase potential energy surface of the initial unimolecular decomposition reactions is computed with M06-2X/6-311++G(d,p), following which energies are refined using the G4 and CBS-QB3 composite methods. Rate constants are computed using the transition state theory. The energies are integrated within the atomization method to assess for the first time the standard enthalpy of formation of β-D-xylopyranose, 4-methoxy-5-carboxy-β-D-xylopyranose, and 2-O-acetyl-β-D-xylopyranose: -218.2, -263.1, and -300.0 kcal mol-1, respectively. For all isomers, the activation enthalpies of ring-opening are considerably lower, 43.8-47.5 kcal mol-1, than the ring-contraction and elimination processes, which show higher values ranging from 61.0-81.1 kcal mol-1. The functional groups exert a notable influence, lowering the barrier of discrete elementary reactions by 1.9-8.3 kcal mol-1, increasing thus the reaction rate constant by 0-4 orders of magnitude relative to unsubstituted species. Regardless of the functionalization, the ring-opening process always exhibits the highest reactivity characterized by a rate constant on the order of 101 s-1, significantly surpassing the values associated with ring-contraction and elimination, which fall in the range 10-4-10-10 s-1. Remarkably, these kinetics are contingent on the functionalization specificities and the relative orientation of reacting centers. A relatively simple chemical reactivity and bonding analysis partially support the elaborated thermokinetic approach. These insights hold significance as they imply that many alternative decomposition routes can be quickly, yet accurately, informed in forthcoming explorations of potential energy surfaces of diverse hemicellulose motifs under pyrolysis conditions.
Structure of poly(ionic liquid)s in solutions: a small angle scattering study
Authors: Lopez Carlos G. , Matsumoto Atsushi , Gulati Anish , Hou Can , Mizutani Yuna , Osada Hiroto , Tao Yume , Fujii Kakeru , Richtering Walter , Watanabe Takaichi
Published: December 2023

We investigate the phase behaviour and scattering properties of a polymerised ionic liquid (poly(1-butyl- 3-vinylimidazolium bis(trifluoromethanesulfonyl)imide)) in 24 solvents of varying dielectric constants and solubility parameters. The polymer is found to be soluble in polar aprotic solvents and insoluble in non- polar or highly protic solvents. Three types of behaviour can be observed: in high permittivity solvents, the correlation length is inversely proportional to the square root of the polymer concentration c, and the proportionality constant decreases with solvent dielectric constant if the Bjerrum length is larger than ≃ 1 nm. For solvents with modest dielectric constants (ε ≃ 18 − 30), the correlation length scales as ξ ∝ c−1/3, suggesting a pearl-necklace conformation. Finally, in THF, the scattering pattern follows the Ornstein- Zernike behaviour. The scaling of the correlation length and zero-angle scattering intensity are similar to those of neutral polymers in good solvents. The solvophobic polyelectrolytes.
Reproducing an innovation environment in the classroom. A strategy to promote creativity in Chemical Engineering education
Authors: Marquez Ronald , Tolosa Laura , Gomez Ruben , Izaguirre Cesar , Rennola Leonardo , Bullon Johnny , Sandia Beatriz
Published: December 2023

The teaching-learning process in traditional university education uses strategies that position the student as a recipient of information conveyed by the teacher and conceptualized as knowledge. The reality in which we live, including the characteristics of new generational groups, requires the generation of training solutions that meet the needs of individuals in developing skills or know-how. This approach creates responses to societal needs, forming individuals capable of continuously seeking knowledge and being trained to create and innovate. In this paper, we present the results of applying the strategy 'Reproduction of an Environment of Innovation in the Classroom' (RAIS) in courses of the Chemical Engineering curriculum at the Universidad de Los Andes, Mérida-Venezuela. This is a teaching-learning and evaluation strategy where the student is actively involved in constructing and generating knowledge, developing the programmatic competencies in the courses through the execution of a product. The RAIS strategy was applied in the Physical Chemistry for Chemical Engineers, Industrial Chemistry I, and Industrial Chemistry Laboratory courses. Students successfully produced a product, utilizing know-how in each course area. Additionally, this strategy increased motivation compared to other courses based on masterclasses, and enhanced the ability to develop and find solutions in work environments with multidisciplinary groups.
Incommensurate Modulations and Perovskite Growth in LaxSr2-xMnO4−δ Affecting Solid Oxide Fuel Cell Conductivity
Authors: Vandemeulebroucke Daphne , Batuk Maria , Hajizadeh Amirhossein , Wastiaux Myriam , Roussel Pascal , Hadermann Joke
Published: December 2023

Ruddlesden-Popper LaxSr2−xMnO4−δ materials are interesting symmetric solid oxide fuel cell electrodes due to their good redox stability, mixed ionic and electronic conducting behavior and thermal expansion that matches well with common electrolytes. In reducing environments - as at a solid oxide fuel cell anode - the x = 0.5 member, i.e. La0.5Sr1.5MnO4−δ, has a much higher total conductivity than compounds with a different La/Sr ratio, although all those compositions have the same K2NiF4-type I4/mmm structure. The origin for this conductivity difference is not yet known in literature. Now, a combination of in-situ and ex-situ 3D electron diffraction, high-resolution imaging, energy-dispersive X-ray analysis and electron energy-loss spectroscopy uncovered clear differences between x=0.25 and x=0.5 in the pristine structure, as well as in the transformations upon high-temperature reduction. In La0.5Sr1.5MnO4−δ, Ruddlesden-Popper n=2 layer defects and an amorphous surface layer are present, but not in La0.25Sr1.75MnO4−δ. After annealing at 700°C in 5% H2/Ar, La0.25Sr1.75MnO4−δ transforms to a tetragonal 2D incommensurately modulated structure with modulation vectors q1 = 0.2848(1) · (a* +b*) and q2 =0.2848(1) · (a* -b*), whereas La0.5Sr1.5MnO4−δ only partially transforms to an orthorhombic 1D incommensurately modulated structure, with q = 0.318(2) · (a* - b*). Perovskite domains grow at the crystal edge at 700°C in 5% H2 or vacuum, due to the higher La concentration on the surface compared to the bulk, which leads to a different thermodynamic equilibrium. Since it is known that a lower degree of oxygen vacancy ordering and a higher amount of perovskite blocks enhance oxygen mobility, those differences in defect structure and structural transformation upon reduction, might all contribute to the higher conductivity of La0.5Sr1.5MnO4−δ in solid oxide fuel cell anode conditions compared to other La/Sr ratios.
Orientation of a model PAS-domain protein at a polyelectrolyte surface via chiral vibrational spectroscopy and molecular dynamics simulations
Authors: Ferenc Bogar , Janos Horvath , Nasztor Zoltan , Mero Mark , Krekic Szilvia , Der Andras , Heiner Zsuzsanna
Published: December 2023

PAS domains mediate protein-protein interactions, which give them key functions ranging from sensing and signaling to dimerization and localization. PYP is one of the PAS-domain model proteins that regulates negative phototactic signal response, and its photoreaction is well characterized. In turn, a protein dimer is usually required to maintain its function as a PAS family domain. However, no partner protein for the signaling pathway of PYP has been identified yet. Here, we investigated the intermolecular interaction of PYP with a charged homopolypeptide, poly-L-lysine, in situ by combining chiral vibrational sum-frequency generation (VSFG) spectroscopy with molecular dynamics simulations and VSFG spectral calculations. Our combined experimental and theoretical approach enabled us to study the structure and orientation of proteins at interfaces based on probing the chiral N-H stretching and amide I and II vibrational modes. We found that PYP has a preferred orientation at the PLL interface, mainly due to dipole-dipole interaction, despite its water-soluble, i.e., cytoplasmic nature. Interestingly, the interaction surface and the orientation of PYP resulted in our model being nearly identical to a homodimer of PYP and a heterodimer in CNBh domains consisting of a PAS member. Our methodology provides a promising route for revealing orientational preferences of molecular groups during in situ protein-protein interactions and may ultimately help identify target proteins in PAS-domain signaling pathways.
The effect of different curing distances on the microhardness of flowable bulk-fill composite materials
Authors: Alzaidy Ayah A , Abd-alla Manal H
Published: December 2023

Background: The microhardness of a composite resin is a vital parameter that is used to determine its clinical behavior. Measuring the microhardness of a composite resin has been used as an indirect method to assess its degree of conversion and extent of polymerization. The purpose of this in vitro study was to evaluate the effect of three curing distances (0, 2, and 4 mm) on the microhardness of the top and bottom surfaces of three types of flowable bulk-fill composite resins (smart dentin replacement, Opus bulk fill flow, and Tetric N). Material and method: Sixty-three specimens from the three types of composite resins (n=21) were fabricated using Teflon mold with a 4mm depth and a 5 mm internal diameter and cured for 20 seconds. For each material, three subgroups were fabricated according to the position of the light curing tip from the top surface; at 0, 2, and 4 mm distances. Microhardness was measured using the Vickers test with a 50-g load for 15 seconds for the top and bottom surfaces of all the samples. Results: The microhardness values were decreased in the following order; 0mm > 2mm > 4mm curing tip distance, for both sides and Tetric N had the highest microhardness values. Significant differences in microhardness were recorded between the top and bottom surfaces for all the specimens (p<0.05). Conclusion: Increasing the distances between the tip of the light cure and the surface of flowable bulk-fill resins can significantly decrease the microhardness of the bottom surfaces compared to the top surfaces.
Local application of Opuntia ficus-indica / Punica granatum oils on cutaneous wound healing: a histochemical study
Authors: Al-Zubaidy Enas Y , Ghani Ban A , Ibrahim Nurul R
Published: December 2023

Background: The healing process involves the restoration of the body’s structural integrity. The extracellular matrix, blood cells, cytokines, and growth factors are all involved in this dynamic, intricate, multicellular process. Hemostasis, the inflammatory phase, the proliferative phase, and the maturation phase are all included. Opuntia ficus-indica oil (OFI) and Punica grantum (PGS) oil are extensively used natural treatments that are regarded as advantageous for their sedative, spasmolytic, and anti-inflammatory properties, as well as for angiogenesis promotion, fibroblast increase, collagen production and deposition, and extracellular-matrix remodeling. Materials and methods: Twenty-four New Zealand rabbits were used. Four circular wounds were induced on their dorsum skin with a sterile biopsy punch (8 mm in diameter). A wound on the upper right side left with no treatment healed spontaneously. A wound on the upper left side was treated with OFI. A wound on the lower right side was treated with PGS oil. Finally, the lower left-side wound was treated with a combination of OFI and PGS oils. After each healing period (days 3, 7, and 14), animals were sacrificed to collect specimens by cutting the skin at the edges of the wound by about 5 mm. Results: Collagen formation was faster in the experimental groups than in the control group. Conclusion: Among the experimental groups, the joint local application of OFI and PGS oils was the most effective in improving wound healing by promoting the synthesis of matrix collagen compared with controls.
Educational Forum
Authors: Deeks John
Published: December 2023

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Mäori perspectives on the science and innovation system
Authors: Harmsworth Garth
Published: December 2023

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