bluuebunny/crossref_metadata_2025 huggingface dataset:
Analysis of organisational performance initiatives conducted through the capability maturity model integration (CMMI V2.0) appraisal method
Authors:   National University of Science and Technology POLITEHNICA Bucharest, UNGUREANU Cristina – Elena , FLEACĂ Bogdan ,   National University of Science and Technology POLITEHNICA Bucharest, SBÎRCEA Ioana-Alexandra ,   National University of Science and Technology POLITEHNICA Bucharest, CIOBĂNESCU Ștefan Adrian ,   National University of Science and Technology POLITEHNICA Bucharest, CHIRIŢĂ Rebecca Ana Maria ,   National University of Science and Technology POLITEHNICA Bucharest
Published: October 2024

The Capability Maturity Model Integration (CMMI) has emerged as a critical framework for assessing and enhancing the maturity and capability of organisations in various industries. This model provides a structured approach for organisations to improve their processes, which ultimately leads to enhanced product quality, increased efficiency, and greater customer satisfaction. This introduction sets the stage for a comprehensive exploration of the value and evolution of CMMI in the context of contemporary organizational practices, followed by an analysis of the value brought by the current version 2.0 to modern organizations. For this analysis, 13 studies have been selected and systematized using a detailed systematic literature review protocol. As a result, this analysis helps gain insights into the value brought by the framework models, the challenges that organisations face when implementing the current version, and a mapping of the industries where the framework models have been in use since the current version released in 2018. Additionally, a series of literature gaps are brought forward, which can constitute the basis for future research. From a technical perspective, this paper provides insights into the techniques for performing a Maturity Model analysis and how to gain insights by conducting a systematic literature review. From a. content point of view, the theme of value offering for organisations looking to implement/update Version 2.0 in their practices by analysing success stories and providing ideas on how to integrate this framework in their existing processes, as well as the challenges which might be encountered along the way. Based on the available information from Information Systems Audit and Control Association governing body, it is expected that the study of Maturity Models will draw more attention in the context of preparing the release of Capability Maturity Model Integration Version 3.0.
Evaluation of Geh gene expression in Staphylococcus aureus isolated from acne patients
Authors: Hussein Mohammed
Published: October 2024

Acne vulgaris is a chronic skin disease that affects the hair follicle and sebaceous glands. Staphylococcus aureus colonizes human skin and causes infections ranging from local skin infections to systemic infections that may threaten human life due to its ability to produce many virulence factors and antibiotic resistance. The objective of this study is to measure the genetic expression of Geh gene responsible for producing the lipase enzyme from S. aureus isolated from acne patients. This study was conducted by collecting 130 swabs from acne patients at Tikrit Teaching Hospital. Using routine bacterial isolation and identification methods, 50 samples (38.4%) of the total samples were identified as S. aureus through its ability to grow in mannitol salt agar medium, the fermentation of mannitol sugar, and the change of the medium color to yellow. The Geh gene expression of ten S. aureus isolates from acne patients was examined using RT-PCR. The results showed that Geh gene was expressed in all isolates, with an expression ranging from 1.5 to 7.2, and that the mean folding of the Geh gene for ten samples was 4.2. This indicates the presence of high gene expression of the Geh gene in S. aureus isolates. Therefore, it is concluded that Lipase enzyme plays an important role in the pathogenesis of S. aureus in acne patients.
Investigation of Gas-Turbine Afterburner with Aluminized Fuel-Rich Propellant
Authors: Nema Pooja , Bhadran Anandu , Shanmugam Sudhakar , Ramakrishna P. A.
Published: October 2024

This paper describes the design and development of a compact afterburner system for a mini gas turbine engine using aluminized fuel-rich propellant. The working principle of the system is analogous to a dual combustor ramjet engine in which the propellant is burnt in the primary chamber. Hot gases from the primary chamber combust further in the secondary chamber with incoming air from the inlet. In this work, fuel-rich gases were injected into the afterburner through radially mounted gas generators. The hot gases mix with the oxygen-rich turbine exhaust and burn further, resulting in high-enthalpy gases. These high-enthalpy gases were expanded in the convergent nozzle to generate higher exit velocity. This study investigated the thrust enhancement capability of the gas turbine afterburner system with fuel-rich propellant grains at different operating conditions. Furthermore, the effect of increasing afterburner length and decreasing nozzle exit diameter on the performance of the system was also examined. An overall static thrust of about 320 and 360 N was obtained for three and four grains, respectively, with maximum unburnt fuel residues of 11% in both the cases, out of which four grain configurations achieved a maximum thrust enhancement of around 180%.
Rare complications of acute pancreatitis: Clinical cases
Authors: Remizov S. I. , Andreev A. V. , Gabriel S. A. , Bochkareva I. V. , Perebeynos A. N. , Zasyadko O. V.
Published: October 2024

Background. Acute pancreatitis is recognized as a common disease, occasionally accompanied by the development of local complications that require surgical debridement. Rare complications of pancreatitis may occur in clinical practice, which is one of the reasons for their untimely diagnosis and treatment. Pancreaticopleural fistula and high small bowel obstruction develop in less than 1% of acute pancreatitis cases. Therefore, possible options for management of these complications are considered valuable. Description of clinical cases. The clinical examples, provided in the present paper, describe pancreaticopleural fistula and high small bowel obstruction that develop against the peripancreatic mass in the abdominal cavity. Patient K., 44, was hospitalized to the Regional Clinical Hospital of Emergency Medical Care, Krasnodar Krai, and preliminary diagnosed with bilateral hydrothorax and type II respiratory failure; pleural puncture was performed. Following the extended examination, a clinical diagnosis was made as follows: “Acute necrotic pancreatitis spreading to a pancreatic tail cyst. Reactive double pleurisy”. The postoperative period was indicated with repeated recurrence of right hydrothorax, and pancreaticopleural fistula (diagnosed by measuring amylase activity in the brown fluid effused from the right pleural cavity, which appeared to be 41216 IU/l (not normally determined)). The right pleural cavity and pseudocyst of the pancreatic tail were drained, resulting in obliteration of the pancreatbcopleural fistula. Patient V., 50, was hospitalized and transferred to the surgical department of the Regional Clinical Hospital No. 2, Krasnodar Krai, and diagnosed with “pancreonecrosis, extensive purulent-necrotic peripancreatitis.” The patient underwent puncture-drainage treatment. The postoperative period was complicated by acute small bowel obstruction. Surgical treatment involved Braun enteroesterostomy. The patient recovered. Conclusion. Pancreaticopleural fistula refers to a rare complication of acute pancreatitis, manifested by hydrothorax. Its diagnosis is based on the determination of amylase activity in the effusion. Drainage of the pleural cavity and pancreatic pseudocyst contributes to obliteration of the fistula. The intestinal obstruction, another complication of pancreatitis, requires open surgical treatment when a conservative therapy appears ineffective.
Difficulties in differential diagnosis of alopecia in the practice of dermatologists: Clinical cases
Authors: Osmolovskaya P. S. , Sycheva N. L. , Psavok F. A.
Published: October 2024

Background. All types of alopecia fall into two main categories: scarring and non-scarring alopecias. Among these, certain types frequently pose challenges in differential diagnosis due to their similar clinical manifestations, thus necessitating specific examinations to be made for confirmation of the diagnosis. For instance, trichotillomania may be easily confused with alopecia areata. Description of clinical cases. The paper presents three clinical observations of patients with both scarring and non-scarring alopecia and highlights the challenges in establishing a definitive diagnosis due to the similarities in clinical presentations. The study emphasized the importance of thorough examination and close attention to patients with long-standing areas of hair thinning, along with the necessity for meticulous differential diagnostic efforts. In addition, the significance of pathological examination is considered as an indispensable tool for the evaluation of most similar cases of scarring and non-scarring alopecias. Conclusion. Early verification of the diagnosis and timely initiation of therapy for hair disorders appear crucial, both for the potential restoration of hair growth and for the prevention of further hair loss.
Tratamento fisioterapêutico nas disfunções sexuais após o tratamento de câncer do colo do útero
Authors: Viana Leticia Costa , Araujo Auile Dellane Rocha , Pereira Joana Victória Oliveira , Nascimento Lízia Daniela e Silva
Published: October 2024

Objetivo: Identificar as principais disfunções sexuais decorrentes do tratamento de câncer do colo do útero e verificar a eficácia de recursos e tratamento fisioterapêutico nas mesmas. Métodos: Através do levantamento nas bases de dados LILACS, PubMed, BVS Brasil e Scielo, foram encontrados artigos nas línguas portuguesa e inglesa. Resultados: A partir do levantamento feito nas bases de dados com ajuda das palavras-chave, foram incluídos 6 artigos que abordaram informações acerca das principais disfunções sexuais pós-tratamento de câncer do colo de útero e sobre o uso de recursos e do tratamento fisioterapêutico em mulheres com essas disfunções. A fisioterapia destaca-se como uma abordagem positiva por melhorar a saúde ginecológica e a função muscular e sexual após o tratamento de câncer de colo do útero. O treinamento dos músculos do assoalho pélvico também promete melhorar a função sexual.  Apesar de não ter havido um aumento significativo na função perineal, houve uma melhoria na satisfação sexual entre mulheres com anorgasmia. Considerações finais: Os estudos analisados mostraram, ainda, o efeito positivo da fisioterapia na melhora da função sexual de mulheres pós-tratamento de CCU, porém há poucas publicações sobre o assunto.
Intervenções de enfermagem para prevenção e tratamento de trombose venosa profunda em pacientes com COVID-19
Authors: Lima Sidney Charles Medeiros de , Santos Janaína Cristina dos , Rito Luciana Morais , Silva Adilson Carlos da , Silva Geysislayne Joana da , Silva Raquel Cavalcanti da , Silva Andreia Maria da , Arruda Jussara Caroline Silva de , Sousa Luana Mikaelle de Lucena , Gomes Pedro Lucas Ferreira da Silva
Published: October 2024

Objetivo: Indicar quais as intervenções foram adotadas pela Enfermagem para tratar de pacientes acometidos pelas SARS-CoV-2 que enfrentavam hipoxemia e Síndrome do Desconforto Respiratório Agudo (SDRA), aos quais o agravo e prevalência da doença culminavam na Trombose Venosa Profunda (TVP). Revisão bibliográfica: Durante a revisão bibliográfica, fora buscado como objetivo selecionar informações sobre as intervenções a fim de entender qual medida profilática e tratamento se mostram mais eficaz em pacientes com Covid-19 e risco de TVP, bem como, reafirmar a enfermagem e seu papel frente a pandemia. A enfermagem tem feito uma abordagem direcionada ao cuidado do paciente, visando diminuir os riscos causados por fármacos. Alguns dos cuidados foram: compressão de Membros Inferiores (MMII), massagem, atividade e repouso, nutrição e hidratação do indivíduo, garantindo o balanço hídrico adequado, entre outras atividades previstas na Sistematização da Assistência de Enfermagem (SAE). Considerações finais: Discentes, profissionais e instituições precisam de uma educação continuada sobre as metodologias adotadas para tratamentos e profilaxia de patologias, visando promover as melhores condições para o paciente, com o enfoque na multidisciplinaridade, para que assim a equipe possa promover o cuidado holístico, humano e digno.
Assistência de profissionais de saúde às mulheres em situação de violência doméstica
Authors: Silva Aiane Mara , Morais Maria Isabel Silva de , Oliveira Neta Olinda da Silva , Santos Junior Romildo Felix dos
Published: October 2024

Objetivo: Analisar os resultados das produções científicas acerca da assistência dos profissionais de saúde a mulheres em situação de violência doméstica. Métodos: Trata-se de uma revisão integrativa da literatura realizada nos meses de abril a junho de 2022, nas bases de dados Scientific Electronic Library Online (Scielo) e Biblioteca Virtual em Saúde (BVS). Resultados: Os serviços de saúde têm importante ação na prevenção e enfrentamento da violência contra as mulheres, sendo os profissionais de saúde peças fundamentais. No entanto, tais profissionais têm dificuldades no manejo dos casos de violência doméstica contra a mulher. Muitos fatores contribuem para essas dificuldades, como: não abordagem da temática pelos cursos de formação profissional, ausência de protocolos, ausência de treinamentos e até medo de envolver-se nos casos. Considerações finais: Faz-se necessária a sensibilização de gestores para elaboração de protocolos de atendimento e oferta de treinamentos visando capacitar a equipe para adequado manejo dos casos.
Pyogenic liver abscess due to Burkholderia pseudomallei in immunocompetent patient from Garhwal region of Uttarakhand – A case report
Authors: Suryakant  , Goswami Pooja , Devrari Jitendra , Yadav Laxman , Rawat Vinita
Published: October 2024

We report a case of liver abscess due to Burkholderia pseudomallei in a 45-year-old, non-diabetic patient from the Garhwal region of Uttarakhand. The patient reported chief complaints of abdominal pain and fever. Ultrasonography and contrast-enhanced computed tomography of the whole abdomen were suggestive of the left liver lobe abscess. Pus was aspirated from the abscess and sent for culture and sensitivity. Growth on the culture plate was identified as B. pseudomallei; the patient was then treated with appropriate antibiotics and discharged in stable condition. Diagnosis of pseudomallei infection requires a high index of suspicion among clinicians as well as laboratory specialists. Early identification of organisms helped clinicians initiate appropriate management in our case.
Influence of Walt Disney’s Work on Soviet Cartoons
Authors: Chashkina Lyudmila Yu.
Published: October 2024

In the mid-1930s, Walt Disney’s cartoon characters conquered screens all over the world. The Soviet Union was not spared from this fascination. Despite the fact that Soviet animation took its first steps in the mid-1920s and by the time of the Disney craze already had several successful films (e.g., “The Rink”, “The Post Office”, “Black and White”), domestic cartoonists fell under the “Disney hypnosis”. This leads to active borrowing of Disney methods, imitation of the performing manner, copying characters. At the newly established studio “Soyuzmultfilm” with the approval of high film bosses begins work on the creation of “his Soviet Mickey Mouse”. For the basis of cartoon production take the flow method – conveyor, which allows, thanks to the use of celluloid sheets instead of paper, accelerate the production of cartoons. This method of creating cartoon pictures divides artists into supporters and opponents of Disney methods. Some of the opponents are leaving the profession, believing that the conveyor belt method would turn the art of animation into a craft.

However, even uncompromising supporters of Disney animation quickly realize that direct copying of the great master’s tapes leads domestic animation to a dead end, as it becomes obvious that Disney’s tricks, techniques and images cannot be adapted to traditional stories: folk tales, fables. In addition, in the second half of the 1930s, the USSR changed its cultural policy. All this leads to the struggle against “Disney” and the search for their own unique style of Soviet animation.

The article analyses the memoirs of cartoonists N.P. Khodataev, I.P. Ivanov-Vano, A.V. Ivanov, F.S. Khitruk and others, their perception of Disney’s work, their attitude to the borrowing of the master’s creative methods, as well as the experience of creating their own works using Disney technologies.
Кризисная динамика экологической культуры в России (на примере пандемии COVID-19)
Authors: А.Ф. Шакирова , В.О. Корунова
Published: October 2024

В статье анализируются изменения экологической культуры россиян, происходящие на фоне развития в стране острых кризисных ситуаций. Рассматривается пример кризиса 2020–2021 годов, вызванного пандемией COVID-19. Цель статьи – выявление связанных с распространением, течением и отступлением пандемии COVID-19 изменений экологической обеспокоенности россиян и их вовлеченности в практики природосохранения. Анализ строится на результатах вторичного анализа данных всероссийских опросов общественного мнения 2018–2024 годов и официальной статистики 2019–2022 годов. Как показали полученные результаты, с распространением пандемии на первый план вышли подкрепленные объективными изменениями условий жизни в стране экономические страхи россиян, в связи с чем их экологическая обеспокоенность и установки на природосохранение снизились и продолжают падать даже после отступления коронакризиса. Таким образом, можно сделать вывод о том, что в кризисных ситуациях экологическая культура в стране снижается, причем происходящие изменения носят долговременный характер. Данная статья является первой статьей серии, во второй статье влияние кризисов на взаимоотношения человека с окружающей средой будет раскрыто более детально в ходе анализа пандемийной динамики экологической культуры в Казани.

The article analyzes the changes in the environmental culture of Russians taking place against the background of the development of acute crisis situations in the country. An example of the crisis of 2020–2021 caused by the COVID-19 pandemic is considered. The purpose of the article is to identify changes in the environmental concern of Russians and their involvement in environmental conservation practices related to the spread, course and retreat of the COVID-19 pandemic. The analysis is based on the results of a secondary analysis of data from the All-Russian public opinion polls 2018–2024 and official statistics 2019–2022. As the results showed, with the spread of the pandemic, the economic fears of Russians, supported by objective changes in living conditions in the country, came to the fore, and therefore their environmental concerns and environmental conservation attitudes decreased and continue to fall even after the retreat of the coronacrisis. Thus, it can be concluded that in crisis situations, the environmental culture in the country is declining, and the changes that are taking place are of a long-term nature. This article is the first article in the series, in the second article the impact of crises on human relations with the environment will be revealed in more detail during the analysis of the pandemic dynamics of environmental culture in Kazan.
Формирование промышленной политики и особенности ее реализации в условиях инновационного развития экономики
Authors: С.Р. Натхо , Я.В. Костюшок , А.Б. Хаджиев
Published: October 2024

В статье дается характеристика современной промышленной политики, при этом в России сформировались разные подходы к пониманию термина промышленная политика. Традиционный подход предусматривает активную роль государства в проведении промышленной политики, а институциональный подход рассматривает возможности государства как субъекта (института) в ее проведении. Существует также либеральный подход к пониманию промышленной политики. Далее, промышленная политика трансформировалась в новую форму, при которой происходит объединение всех ранее существовавших подходов в проведению промышленной политики. Современный комплекс инструментов новой промышленной политики должен сочетать в себе элементы государственного и рыночного подходов.

The article provides a description of modern industrial policy, while different approaches to understanding the term industrial policy have been formed in Russia. The traditional approach provides for an active role of the state in implementing industrial policy, and the institutional approach considers the capabilities of the state as a subject (institution) in its implementation. There is also a liberal approach to understanding industrial policy. Further, industrial policy has transformed into a new form, which combines all previously existing approaches to the implementation of industrial policy. The modern set of instruments of the new industrial policy should combine elements of the state and market approaches.
Возможности развития садового туризма в России
Authors: Н.В. Горошко , С.В. Пацала
Published: October 2024

Число людей, увлеченных выращиванием растений и просто любителей сада, не становится меньше. В условиях глобального роста интереса к «зеленой» повестке, увеличивается и популярность такого развитого среди населения стран «золотого миллиарда» туристского направления, как садовый туризм. Стимулами тому и старение населения (а среди пожилых людей садоводство приобрело особую популярность), и практика жизни в собственном доме, и определяемый ею интерес к ландшафтной архитектуре и дизайну. Удивительно, но в России, где «дача» стала абсолютно своеобразным и массовым явлением отечественной культуры и быта, национальной идеей и частью культурного кода, где более 14 млн жителей занимаются садоводством и огородничеством, садовый туризм остается новой нишевой разновидностью туризма. Это определило цель работы — теоретическое исследование перспектив использования объектов декоративного садоводства в качестве ресурса развития садового туризма в России. Раскрываются факторы развития садового туризма в стране, приводится характеристика объектов, составляющих ресурсную базу для развития направления, а также примеры их использования в отечественной практике. На основе swot-анализа делается вывод о перспективах развития садового туризма в России.

The number of people who are passionate about growing plants and just garden lovers is not getting smaller. In the context of the global growth of interest in the «green» agenda, the popularity of such a developed tourist destination among the population of the «golden billion» countries as garden tourism is also increasing. The incentives for this are the aging of the population (and gardening has become especially popular among the elderly), and the practice of living in one’s own home, and the interest in landscape architecture and design determined by it. Surprisingly, in Russia, where the «dacha» has become an absolutely peculiar and massive phenomenon of domestic culture and everyday life, a national idea and part of the cultural code, where more than 14 million residents are engaged in gardening and gardening, garden tourism remains a new niche type of tourism. This determined the purpose of the work – a theoretical study of the prospects for the use of decorative gardening objects as a resource for the development of garden tourism in Russia. The factors of the development of garden tourism in the country are revealed, the characteristics of the objects that make up the resource base for the development of the direction are given, as well as examples of their use in domestic practice. Based on the swot analysis, a conclusion is made about the prospects for the development of garden tourism in Russia.
الطوائف الحرفية في مدينة جدة في القرن 14هـ/20م
Authors: الصبان عبير عثمان
Published: October 2024

حظيت مدينة جدة بموقع استراتيجي في منتصف الساحل الشرقي للبحر الأحمر، انعكس بشكل مباشر على اقتصاد أهلها، فاشتغلوا في التجارة والحرف والصناعات اليدوية، فقد كانت في الغالب حرف متوارثة من الأهل والأجداد، وأثبتت الدراسة إن التنظيم الحرفي للحرفيين في مدينة جدة شهد تدرجاً واضحاً بين أهل الحرف والصنائع، فهناك شيخ الطائفة والمعلم والصبي(الصانع)، وأدى تطور تلك التنظيمات الى وجود نظام أو عُرف خاص يكفل لإصحاب الحرف الحماية من افراد نفس الطائفة أو من الطوائف المتنافسة.
Endless Data for Drug Discovery Pipeline Validation for Free – Computational Chemistry’s Gift
Authors: Ivanov Stefan
Published: October 2024

Modern virtual high-throughput screening (vHTS) pipelines tend to be overmarketed and undervalidated, with no rigorous studies conclusively demonstrating that every one of their steps reliably adds increasing enrichment atop the baseline random hit rate. Moreover, what little benchmarking studies are available primarily focus on the docking aspect of the pipelines, which is usually only the beginning or near the beginning, and even there, authors tend to use flawed data sets that artificially inflate performance metrics. Herein, we present an alternative method to pipeline validation and data set generation that requires no additional experimental work and expenditure, yet offers negative data that is vastly superior both in terms of quality and quantity to any data set used in vHTS pipeline validation up to now. By randomizing ligands across published experimental structures and generating structural isomers of known binders, practically unlimited amounts of negative data can be generated. Such sets of positive and negative data points match closely in molecular properties and are much more suitable for pipeline validation and have far greater evidentiary value than any of the current sets. Once such sets are generated, they are to be run through any proposed pipeline, assessing performance at every step. We stress the importance of using negative data of adequate quality and quantity in validation studies to definitively and verifiably demonstrate the utility of a given tool or workflow. Our goal is to help distinguish tools and pipelines that truly accelerate hit discovery and lead optimization from ones that promise to do so but actually do not, whereupon academia and industry can begin to tackle the many unaddressed medical needs of the 21st century.
Quantifying Cooperativity Through Binding Free Energies in Molecular Glue Degraders
Authors: Dudas Balint , Athanasiou Christina , Mobarec Juan Carlos , Rosta Edina
Published: October 2024

Molecular glues represent a novel therapeutic modality facilitating the stabilization of protein-protein interactions (PPIs), thus enabling the targeting of previously 'undruggable' proteins. We rigorously study the cooperative binding mechanisms of molecular glue degraders, specifically cereblon (CRBN) modulators targeting Ikaros family zinc finger 2 (IKZF2), a transcription factor implicated in cancer immunotherapy. We present a comprehensive computational protocol for screening large molecular libraries to identify potent molecular glues. By leveraging cooperative binding principles in ternary complex formation, our approach effectively predicts ligand-induced PPIs and their degradation potential. Benchmarking against experimental data for CRBN-Ikaros complexes, our protocol demonstrates high accuracy in identifying superior molecular glues, highlighting L4 and L5 as top performers. Furthermore, our high-throughput screening identified novel candidates from extensive chemical libraries, validated through advanced free energy perturbation (FEP+) simulations. This study not only underscores the transformative potential of molecular glues in targeted protein degradation but also sets the stage for their broader application across diverse protein targets, paving the way for innovative therapeutic strategies in drug discovery.
Predicting Molecular Energies of Small Organic Molecules with Multifidelity Methods
Authors: Vinod Vivin , Lyu Dongyu , Ruth Marcel , Kleinekathöfer Ulrich , R. Schreiner Peter , Zaspel Peter
Published: October 2024

Multifidelity methods in machine learning (ML) have seen an increasing usage for the prediction of quantum chemical properties. These methods, such as ∆-ML and multifidelity ML, have been shown to significantly reduce the computational cost of generating training data. This work implements and analyzes several multifidelity methods including ∆-ML and multifidelity ML for the prediction of electronic molecular energies at DLPNO-CCSD(T) level, i.e., at the level of coupled cluster theory including single and double excitations and perturbative triples corrections. The models for small organic molecules are evaluated not only on the basis of accuracy of prediction, but also on efficiency in terms of the time-cost of generating training data. In addition, the models are evaluated for the prediction of energies for molecules sampled from a public dataset, in particular for atmospherically relevant molecules, isomeric compounds, and highly conjugated complex molecules.
Advanced Charge Extended Hückel (CEH) Model and a Consistent Adaptive Minimal Basis Set for the Elements Z=1-103
Authors: Müller Marcel , Froitzheim Thomas , Hansen Andreas , Grimme Stefan
Published: October 2024

The Charge Extended Hückel (CEH) model, initially introduced for adaptive atomic orbital (AO) basis set construction (J. Chem. Phys. 159, 164108 (2023)), has been significantly revised to enhance accuracy and robustness, particularly in challenging electronic situations. This revision includes an extension towards f-elements, covering actinoids with their f-electrons in the valence space. We present a novel non-iterative approximation for the electrostatic contribution to the effective Fock matrix, which substantially improves performance in polar or charged systems. Additionally, the training dataset for elements Z = 1-103 has been expanded to encompass even more chemically diverse reference molecules as well as dipole moments and shell populations in addition to atomic charges. It includes a greater variety of "mindless" molecules (MLMs) as well as more complex electronic structures through open-shell and highly charged species. The revised method achieves mean absolute errors for atomic charges q of approximately 0.02 e- for randomly selected (mostly organic) molecules and 0.09 e- for MLMs, outperforming both classical charge models and established tight-binding methods. Furthermore, the revised CEH model has been validated through density functional theory calculations with the updated adaptive q-vSZP AO basis set on common thermochemical databases. Consistent with the extension of the CEH model, q-vSZP has also been variationally optimized and tested for elements Z = 58-71 and 87-103. The original versions of both CEH and q-vSZP are now considered deprecated.
Quantum Dynamics Simulations of the Polariton Transport Process
Authors: Chng Benjamin , Mondal Elious , Huo Pengfei
Published: October 2024

Recent experiments have shown that the transport of excitons in organic semiconductors can be significantly enhanced through hybridization with confined photonic modes in a cavity, thereby forming molecular exciton-polaritons (EP). Dissipative mechanisms that affect the constituent states of EPs, such as exciton-phonon coupling and cavity loss, have been observed to diminish their effective velocities in experiments. To elucidate the impacts of these dissipative mechanisms on the transport characteristics of molecular EPs, we develop an efficient quantum dynamics simulation approach that allows us to directly simulate polariton transport dynamics under the collective coupling regime and beyond long-wavelength approximation. Our numerical results suggest a renormalization of the group velocities with stronger exciton-phonon coupling strengths and smaller Q-factor, in agreement with existing polariton transport experiments. Additionally, we observe the transition from ballistic to diffusive EP propagation, as well as the quality factor-dependent behavior of the transient mean square displacement, agreeing well with the recent experimental measurements.
Population displacement after earthquakes: benchmarking predictions based on housing damage
Authors: Paul Nicole , Galasso Carmine , Silva Vitor , Baker Jack
Published: October 2024

In the aftermath of an earthquake, the number of residents whose housing was destroyed is often used to approximate the number of people displaced (i.e., rendered homeless) after the event. While this metric can provide rapid situational awareness regarding potential long-term housing needs, more recent research highlights the importance of additional factors beyond housing damage within the scope of household displacement and return (e.g., utility disruption, tenure, place attachment). This study benchmarks population displacement estimates using this simplified conventional approach (i.e., only considering housing destruction) through three scenario models for recent earthquakes in Haiti, Japan, and Nepal. These model predictions are compared with officially reported values and alternate mobile location data-based estimates from the literature. The results highlight the promise of scenario models to realistically estimate population displacement and potential long-term housing needs after earthquakes, but also highlight a large range of uncertainty in the predicted values. Furthermore, purely basing displacement estimates on housing damage offers no view on how the displaced population counts vary with time as compared to more comprehensive models that include other factors influencing population return or alternative approaches, such as using mobile location data.
Diseño de prótesis para extremidad posterior de canino Pastor Belga Malinois
Authors: Delgado Gomez Fernando , Portocarrero Hermann Julián , Carrero Yate Andersson Felipe , Perez Vallejos Hugo Andres , Burbano Navarro Gabriel Ignacio , Chacon Ardila Wilmer , Rojas Gustavo Adolfo
Published: October 2024

En el ámbito de la seguridad y defensa de bases militares, los perros antiexplosivos desempeñan un papel crucial en la detección de artefactos explosivos improvisados y otros materiales peligrosos, enfrentándose a situaciones de alto riesgo que pueden resultar en lesiones, amputaciones o la muerte. Este documento se centra en la construcción de una prótesis impresa en 3D para un perro antiexplosivos de raza Pastor Belga Malinois que perdió su extremidad posterior derecha durante un acto del servicio. En este documento se hace énfasis en la metodología, la cual incluye seis etapas: levantamiento de información, obtención del molde, digitalización del molde, diseño 3D, fabricación aditiva y pruebas del prototipo. Los resultados destacan: 1. La importancia del escaneo 3D para obtener modelos digitales precisos, lo que permite diseñar prótesis personalizadas que se ajusten adecuadamente a las necesidades anatómicas del perro. 2. La importancia de la impresión 3D como una herramienta efectiva y económica, para la fabricación de prototipos. Finalmente, las pruebas de adaptabilidad del prototipo indicaron la necesidad de ajustes iterativos para mejorar el encaje y la comodidad, subrayando la importancia de la precisión en cada etapa del proceso. En conclusión, una adecuada metodología y el uso de tecnologías de escaneo 3D y fabricación aditiva, son fundamentales para el desarrollo de prótesis personalizadas, mejorando significativamente la calidad de vida de los perros que han sufrido amputaciones y facilitando su reintegración al servicio activo.
Aprovechamiento de la virtualidad en la formación del ingeniero: internacionalización en casa en un programa de ingeniería industrial presencial dual
Authors: Muñoz Martínez Estefania , Medina Contento Alejandro , Zuluaga Rohemi Alfredo
Published: October 2024

La virtualidad es una estrategia que permite el desarrollo de procesos de enseñanza-aprendizaje a través del uso de las tecnologías de la información como principal herramienta, facilitando el proceso formativo tanto para el docente como para el estudiante. Ahora bien, en los programas de formación Dual de la Corporación Universitaria Empresarial Alexander von Humboldt se aprovechó el uso de esta estrategia para facilitar la actualización y pertinencia del currículo, principalmente en lo relacionado con tecnologías de punta. El presente documento tiene la finalidad de mostrar los impactos positivos generados de la implementación de estrategias de innovación en el aula como lo es la internacionalización en casa, propiamente de orientar una asignatura de manera virtual en el programa Ingeniería Industrial - Dual, con fin de innovar en la metodología y la inclusión de temas en tendencia, como lo es la ciencia de datos, inicialmente se realiza una revisión teórica que permita dar una fundamentación, posteriormente se realizó una revisión de las tendencias de la Ingeniería Industrial, un diseño curricular acorde con las necesidades del medio y la aplicación de una prueba piloto que permitiera evaluar los resultados de la implementación de esta estrategia. Esta experiencia demuestra el impacto positivo logrado mediante la implementación de una asignatura virtual en temas de tendencia para el Ingeniero Industrial, como lo es la ciencia de datos. Inicialmente, se desarrolló una investigación y análisis de las necesidades y demandas del mercado laboral en el ámbito de la ingeniería industrial, seguido por la identificación de los temas emergentes y relevantes en la ciencia de datos para este campo. Luego, se diseñó el currículo de la asignatura, teniendo en cuenta los requerimientos de la formación bajo la modalidad dual, específicamente lo correspondiente al aprendizaje práctico. Posteriormente, se llevó a cabo una prueba piloto bajo un estricto acompañamiento y seguimiento que tenía por objetivo garantizar el aprendizaje efectivo de los estudiantes y el logro de los resultados de aprendizaje de la asignatura. Finalmente, se evaluó el impacto de esta experiencia mediante la recopilación y análisis de datos cualitativos y cuantitativos, que permitieron medir el impacto al usar estrategias de internacionalización en casa en el programa presencial de Ingeniería Industrial Dual, así como retroalimentar el ejercicio.
EDUCATIONAL MOBILITY AS AN INSTRUMENT OF ECONOMIC REGULATION OF INTERNAL MIGRATION IN THE REPUBLIC OF KAZAKHSTAN
Authors:   AL-FARABI KAZAKH NATIONAL UNIVERSITY, Bokayev Baurzhan , Akhmetova Gulnaz
Published: October 2024

This article considers the role of educational mobility in the regulation of internal migration in Ka-zakhstan. In the face of significant socio-economic changes, understanding the link between education and migration becomes key to shaping effective public policies. The article analyses state programs and initiatives in the field of education, which can serve as mechanisms for regulating migration flows, pro-moting balanced regional development.Based on the analysis of strategies and policies in the field of education, as well as statistics on academic mobility, the study has revealed a significant impact of educational mobility on migration processes in the country. It showed that education is an economic tool to encourage people to move to other regions. In this regard, the findings of the study emphasize the importance of targeted education policies that can reduce excessive migration to large cities and contribute to population stabilization in small towns and villages. The study highlights the potential of educational mobility to create equal opportunities in different regions. It identifies the main challenges and barriers to access to quality education, especially in rural areas, and discusses how these problems exacerbate internal migration. The findings show that targeted education policies can not only empower individuals but also stabilize communities by reducing exces-sive migration to urban centres. The aim of this scientific article is to consider internal educational mobility as a tool for economic development of regions of Kazakhstan. The present study aims to: 1) analyze internal migration process-es and consider projections of demographic changes in regions; 2) find the link between youth inflow into the region and its socio-economic development; 3) evaluate the effectiveness of state programs aimed at regulating migration processes through education, in particular the «Serpin-2050» program; 4) offer recommendations for the state regulation of migration processes.Considering education mobility as an economic tool, this article contributes to a broader discourse on migration management and regional development strategies in Kazakhstan. The findings of this study provide practical guidance for policymakers seeking to use education as a means to manage internal migration effectively.
IMPROVING STRATEGIC MARKETING PLANNING IN THE FORMATION OF DEVELOPMENT PRIORITIES FOR MONOTOWNS IN THE REPUBLIC OF KAZAKHSTAN
Authors:   AL-FARABI KAZAKH NATIONAL UNIVERSITY, Kozhamkulova Zhanna , Krayushkin Maksim , Tovma Nataliya , Shurenov Nursultan
Published: October 2024

The importance of the research is highlighted by the special role of monotowns, which are closely monitored by the government as they face growing socio-economic issues while also playing a crucial role in the country’s economy. This article aims to develop and test a methodological approach to strategic marketing planning for establishing development priorities for monotowns in Kazakhstan. The study presents monotowns analyzed over different periods: 27, 20 and 9 monotowns of Kazakhstan. Current and future priorities for 9 monotowns are defined based on available statistical socio-economic indicators grouped by areas of territorial marketing. The research objectives include developing a meth-odological approach to strategic marketing planning, conducting typology, identifying the advantages and disadvantages of monotown development, creating a simulation modeling tool for socio-economic development using artificial intelligence technology, and determing strategic priorities development of monotowns. Data collection, processing, and analysis methods include content, comparative, factor, and cluster analysis, typology, and artificial intelligence modeling methods (supervised learning, er-ror correction, BFGS optimization). The STATISTICA software version 13 was utilized for data analysis and forecasting. The results indicate that the strategic marketing planning tools developed are useful for establishing scientifically grounded development priorities for monotowns in Kazakhstan. This re-search is beneficial for government bodies aiming to devise socio-economic development strategies for monotowns.
ANALYSIS OF THE CURRENT STATE AND DIAGNOSIS OF KEY PROBLEMS OF PUBLIC ADMINISTRATION IN THE HEALTHCARE SECTOR IN THE REPUBLIC OF KAZAKHSTAN
Authors:   AL-FARABI KAZAKH NATIONAL UNIVERSITY, Kupeshova Saule , Zharlygassinov Talgat , Tazhyeva Samal , Barkhudarov Mansur
Published: October 2024

Healthcare is one of the most important areas of activity of any state. One of the goals of sustainable development, the United Nations (UN) proclaims “Ensuring a healthy lifestyle and promoting well-being for all at any age.” The efforts of all countries of the world are directed towards the realization of this goal, since the health of the nation and the high standard of living of the country’s population are important components of the sustainable development of each country. In this regard, the article emphasizes that healthcare is one of the most important areas of activity of any state, and effective public administration in this area is critical, so the goal was to develop proposals and recommendations to ensure high-quality and affordable medical care for all segments of the population. For this purpose, various research meth-ods were used, such as the method of scientific abstraction, the method of induction and deduction, literature analysis and statistical analysis of modern data in dynamics over the past 5 years, the method of generalization and comparative analysis, which were used to identify problems and develop recom-mendations to improve the availability and quality of medical care, ensure public health and improve the quality of life of the population. In light of the challenges Kazakhstan has faced in public health management, including pandemics, demographic changes and technological innovations, we have pro-posed: introducing an automated data processing system in all regions of the country, improving the system of monitoring and analyzing health management, optimizing the financing system, developing a mechanism for monitoring and overseeing the provision of high-quality and affordable medical care to all segments of the population.
Pengembangan Usaha Pada UMKM Yu Min Batik & Butik Desa Sidorejo Kecamatan Comal Kabupaten Pemalang
Authors: Erfandi Eli , Ningsih Diah Wuriah , Ikhwatunnahdiyah Tsaltsa , Idayanti Hilda , Amar Aftahul
Published: October 2024

The Micro, Small and Medium Enterprises that are the object are the UMKM Yu Min Batik & Boutique owned by Mrs. Siti Aminah which is located in Sidorejo Village, Comal District, Pemalang Regency. This MSME operates in the field of clothing and modified batik cloth in Pemalang. The aim of implementing this activity is to develop business, good financial management and production performance. The business assistance provided includes marketing aspects. The efforts made by the accompanying team aim to promote Yu Min Batik & Boutique products through MSME activities such as bazaars and catalog content on online social media. This is due to increasingly sophisticated technological developments and seeing many entrepreneurs, especially MSMEs, promoting their businesses through online social media. The aim is to introduce and attract the interest of potential customers by understanding the individual characteristics of consumers so that the products sold will match their wishes.The assistance method used is carrying out several programs such as making banners, making simple bookkeeping, Google maps, participating in MSME bazaar activities, making direction boards, making organizational structures, business profiles, and creating social media (Instagram). After analyzing and applying the program to Yu Min Batik products, it produced a positive impact on MSME owners. Such as introducing products through promotions on social media and placing banners, organizational structures, understanding simple bookkeeping, business profiles, and installing direction boards to fulfill product requirements to support promotions so that people have more confidence in the products they want to buy.