bluuebunny/crossref_metadata_2025 huggingface dataset:
Redefining Success: How Personal Ambitions and Confidence Levels Shape IT Project Dynamic
Authors: Besek Barbara
Published: April 2024

Background

Failures in information technology (IT) projects continue to concern executives and organisations. Individuals are realising that to remain competitive in the workplace, they must develop skills to become successful project team members and project managers.

Objectives

The purpose of this paper is to examine the relationship between IT project team members’ competencies and their impact on IT project success, considering the iron triangle.

Methods/Approach

Our study is based on IT projects that have been implemented for a public or private organisation in Slovenia and where contractors are employed in IT development enterprises on a sample of 141 IT companies. Step-wise regression was used to determine which competencies of various project roles are relevant for project success.

Results

The most intriguing result is the negative association of achievement orientation with project success for analysts or consultants, suggesting that an excessive focus on personal accomplishments could potentially conflict with team objectives. Additionally, the variation in the significance of self-confidence across roles, particularly its less critical impact on project managers, challenges conventional wisdom regarding the universal importance of confidence in leadership positions.

Conclusions

These insights reveal the nuanced and role-specific contributions of individual characteristics to project success, highlighting the importance of aligning personal traits and professional actions with the project team’s collective goals.
القراء الكُرد في بلاد الشام خلال القرن (7هـ/ 13م) دراسة تاريخية تحليلية
Authors: Muhammad Hussein Karzan , Ismail Ahmed Khattab
Published: April 2024

يهدف هذا البحث إلى دراسة الدور العلمي والحضاري للكُرد خلال العصور الإسلامية، بالأخص في حقلٍ مهم من حقول العلوم الدينية كعلم القراءات، وقد ركزت هذه الدراسة على ذكر أهم قراء الكُرد خلال القرن (7هـم 13م)، والبحث عن سيرهم الذاتية وكيفية تحصيلهم العلمي، وبروزهم في هذا الميدان العلمي، كما بحثت الدراسة عن جذورهم الكُردية، إذ لم تكشف المصادر التاريخية عن أصول بعضهم بصورة واضحة، وهذا ما دفع بالبحث إلى تحليل وربط المعلومات من المصادر لحل هذه الإشكالية بها.
العلاقة التأثيرية للإجراءات والمعوقات المصرفية في مؤشرات عمليات غسيل الاموال دراسة مقارنة بين المصارف الحكومية و المصارف الاهلية العاملة في محافظة دهوك
Authors: Sidqi Haji Darivan , Fattah Muhammad Reber
Published: April 2024

ظاهرة غسيل الاموال تعتبر من احد واهم المشاكل الاقتصادية والسياسية و الاجتماعية ذات ابعاد وتأثيرات متعددة تواجه العالم بأكمله وهي من الجرائم الاقتصادية المعقدة والتي تهدف الى اخفاء المصدر الحقيقي للأموال المكتسبة و تغييرها لتظهر بان هذه الاموال من مصادر مشروعة ، وتشير ظاهرة غسيل الاموال الى جميع الوسائل والاساليب المختلفة المستخدمة للتصرف بالأموال المكتسبة بطرق غير شرعية لإضفاء صفة الشرعية عليها ويشمل الاموال المكتسبة من عمليات السرقة و الرشوة و الاختلاس والغش التجاري وعمليات تزوير النقود و مكافأة أنشطة الجاسوسية و تسهيل الدعارة  وتهريب المخدرات و المتاجرة بالبشر و نوادي القمار و تجارة الاسلحة .... الخ .  و بالرغم من الانتشار الكبير لهذه الظاهرة الا ان اقليم كوردستان- العراق لا تعرف هذه الظاهرة بشكل واضح و لكن لكونها  تسعى الى جذب الاستثمارات الاجنبية فأنها مرشحة بان تكون مركزا لهذه الظاهرة (جيوب امنة) و لذلك فان مواجهة و مكافحة عمليات غسيل الاموال تعتبر من المسائل المهمة جدا ، و تعد المصارف من اهم القنوات و المرحلة الاولى التي يستعملها غاسلو الاموال لإخفاء المصدر الغير شرعي لأموالهم ، وللوقوف على دلائل و مؤشرات وجود هذه الظاهرة ولمعرفة الية ومدى تطبيق هذه الاجراءات والاليات لمكافحتها واهم المعوقات التي تواجه المصارف العاملة في محافظة دهوك  اقليم كوردستان في هذا المجال تم اختيار هذا الموضوع للدراسة .
La importancia del bienestar psicológico para la paciente con cáncer de mama
Authors: Domínguez Morán Abel , Pavón León Patricia
Published: April 2024

Dentro de las neoplasias malignas, el cáncer de mama es el que se presenta con mayor frecuencia en mujeres. A pesar de su elevada prevalencia, la investigación e intervenciones en estas pacientes se enfocan, en su mayoría, a los aspectos físicos de la enfermedad, dejando de lado los factores psicológicos y sociales que impactan en la calidad de vida de la paciente. La aplicación de psicoterapia, en sus diversas modalidades, ha demostrado con anterioridad su efectividad para reducir la depresión y ansiedad en las pacientes con cáncer de mama, mejorando su calidad de vida. La inclusión de los aspectos psicológicos como parte integral del tratamiento del cáncer de mama podría traer beneficios tanto para la paciente como para el sistema de salud que las trata.
The importance of psychological well-being for breast cancer patients
Abstract
Among malignant neoplasms, breast cancer is the one that occurs most frequently in women. Even with its high prevalence, research and interventions in these patients focus, for the most part, on the physical aspects of the disease, leaving aside the psychological and social factors that impact the patient's quality of life. The application of psychotherapy, in its various modalities, has previously demonstrated its effectiveness in reducing depression and anxiety in breast cancer patients, as well as improving their quality of life. The inclusion of psychological aspects as an integral part of breast cancer treatment could bring benefits to both the patient and the health system that treats them.
Estrategias de inmovilización enzimática
Authors: Sosa Parra Ghian Emir , Quintana-Castro Rodolfo , Oliart-Ros Rosa María , Alexander-Aguilera Alfonso , SÁNCHEZ-OTERO MARÍA-GUADALUPE
Published: April 2024

La biocatálisis es el uso de enzimas para acelerar las reacciones químicas y posee innegables ventajas sobre la catálisis convencional, ya que disminuye sensiblemente el uso de compuestos tóxicos y disolventes, genera menos residuos peligrosos, y permite trabajar en condiciones menos agresivas de temperatura y pH, a pesar de estas bondades, las enzimas, por su naturaleza proteica, pueden ser fácilmente desnaturalizadas y al ser solubles, no son recuperables del medio de reacción, por ello, la inmovilización enzimática es una especialidad de la biocatálisis en constante desarrollo y crecimiento ya que permite una mayor estabilidad, reuso y fácil recuperación del medio, su aplicación es ya generalizada y va en aumento en industrias tales como la farmacéutica, la de los biocombustibles, la alimentaria y de producción de sabores, fragancias y cosméticos. Las diferentes estrategias para obtener derivados inmovilizados se abordan en el presente documento.
 
Enzyme immobilization strategies
Abstract: Biocatalysis is the use of enzymes to accelerate chemical reactions and has undeniable advantages over conventional catalysis, since it significantly reduces the use of toxic compounds and solvents, generates less hazardous waste, and allows working in less aggressive conditions of temperature and pH, Despite these benefits, enzymes due to their protein nature can be easily denatured and being soluble, they are not recoverable from the reaction medium, therefore, enzymatic immobilization in a specialty of biocatalysis in constant development and growth since it allows a greater stability, reuse and easy recovery of the medium, its use is already widespread and is increasing in industries such as pharmaceuticals, biofuels, the food industry and the production of flavors, fragrances and cosmetics. The different strategies to obtain immobilized derivatives are addressed in this document.
Disponibilidad del agua
Authors: López Olvera Sergio , Menchaca Dávila Socorro , Romero-López Rabindranarth
Published: April 2024

Diversas investigaciones plantean la escasez de agua como un problema complejo y multifactorial. En este proyecto se analiza la disponibilidad del agua para el uso doméstico en la microcuenca del río Pixquiac, Veracruz. Se analizaron aforos mensuales en tres presas en la microcuenca y se midió la percepción y opinión de los usuarios del agua respecto a su disponibilidad. Se observó que a pesar de que el volumen extraído para usos antrópicos en las presas no ha variado, el agua que escurre en los ríos ha disminuido, alcanzando niveles críticos durante el estiaje. La mayoría de los usuarios perciben escasez desde hace al menos una década, principalmente durante abril y mayo e identifican como principales causas la deforestación y el crecimiento poblacional, seguidas por el cambio climático y opinan que la escasez y sus afectaciones empeorarán en el futuro cercano. Los resultados sugieren que la disminución en la disponibilidad se debe principalmente a una menor precipitación en las zonas media y alta de la microcuenca y una creciente demanda del recurso en la zona baja.
Various facets of low-grade appendiceal mucinous neoplasms (LAMNs)
Authors:   Institute of Biology of Romanian Academy, Bucharest, Romania, Constantin Marian ,   Fellow of The Research Institute of the University of Bucharest, ICUB, Romania
Published: April 2024

Low-grade appendiceal mucinous neoplasms are rare tumors of the appendix that affect women and men equally from the fifth decade of life. They are characterized by the replacement of normal appendiceal mucosal tissue with villous proliferations of mucinous epithelium. The tumor cells secrete mucin, which accumulates in intracytoplasmic vacuoles. Tumor growth occurs by pushing mechanisms without invasion, invasion defining adenocarcinomas. In the early stages, these tumors have low risk of recurrence and are not life-threatening, appendectomy being sufficient for cure. Sometimes, the accumulation of mucin produces ruptures of the appendiceal wall, which may seed tumor content outside the appendix, complicating diagnosis and prognosis, presenting a high risk of recurrence and, in the case of pseudomyxoma peritonei, becoming disabling and life-threatening. For these, treatment becomes more complex, with decreased survival rate.
قراءة إبن مسعود في تفسير إبن عطية / سورة النساء أَنموذجاً – جمع ودراسة
Authors: خلف صالح شلال نجم
Published: April 2024

تناول علماء التفسير جزء من القراءات القرانية في تفاسيرهم , ومن هذه السور سورة النساء ، وتسمى سورة الأحكام، وهي مدنية على قول أكثر المفسرين, وهي ستة عشر ألف وثلاثون حرفا، وثلاثة آلاف وسبعمائة وخمس وأربعون كلمة، ومائة وست وسبعين آية , إلا آية واحدة نزلت بمكة عام الفتح في عثمان بن طلحة , وقيل نزلت السورة عند هجرة رسول الله r من مكة إلى المدينة المنورة  ، وكان ابتداء نزولها بالمدينة، واتفق العلماء على أن سورة النساء نزلت بعد البقرة، فتعين أن يكون نزولها متأخرا عن الهجرة بمدة طويلة، والجمهور قالوا: نزلت بعد آل عمران، ومعلوم أن آل عمران نزلت في سنة ثلاث أي بعد وقعة أحد، فيتعين أن تكون سورة النساء نزلت بعدها, وقد تم اختيار قراءة ابن مسعودt لتكون موضوع بحثنا هذا لما لأبن مسعود من اهمية في رواية القراءات القرآنية , وغالبا ما يذكر العلماء في مجال التفسير القراءات القرانية الشاذة لبيان معنى الآية لا التعبد بها، وهذا شان قراءة ابن مسعود t لأن أغلبها كانت شاذة، وبينت ذلك في المباحث اثناء الكلام عن ذلك. ومن أهمية قراءة ابن مسعود t أنها تُعَد من القراءات التفسيرية التي يستشهد بها المفسرون في تفاسيرهم مع أن بعض المواضع التي استشهد بها هي صحيحة ومتواترة وهذا ما يزيد من أهمية الموضوع .
مرويات عبد الله بن كعب بن مالك في السيرة النبوية ( دراسة تاريخية )
Authors: محمد تيسير حسين
Published: April 2024

يضم تاريخنا الإسلامي الكثير من الشخصيات البارزة والمهمة الذين لم تدرس حياتهم وسيرهم ولم تؤلف الأبحاث والمؤلفات في ابرز معطياتهم لتكون نبراساً للأجيال المتعاقبة بعدهم،  فتصل ذكرى أولئك الأخيار بصورة محدودة وغير مكتملة ، ولم ينقل من جانبها المشرق الذي ظهر فيه نبوغها إلا النزر اليسير .
من هنا كانت هذه الدراسة المتواضعة عن شخصية عبد الله بن كعب بن مالك الأنصاري ابن الصحابي الجليل كعب بن مالك، وكان كعب أحد شعراء الإسلام أسلم قديماً وشهد بيعة العقبة مع النبي(e) والمشاهد كلها مع النبي عدا غزوة بدر وتبوك ، وكان أحد الثلاثة الذين تاب الله عليهم بعد تخلفهم عن تلك الغزوة . 
ونحن إذ نكتب عن عبد الله فإنا نحاول تسليط الضوء على الدور الذي قام به في رواية السيرة التي تمثل التطبيق العملي لحياة خير البرية ( e ) فهو عالم اشتهر بروايته لأحداث مهمة من سيرة النبي، والتي جاءت أحداثها موثوقة وذلك لشهادة علماء الجرح والتعديل له بالتوثيق والعدالة والضبط .
فاعلية برنامج قائم على استراتيجية الألعاب التعليمية لتنمية مهارات التفكير الهندسي لدى تلاميذ الصف الخامس الابتدائي
Authors: حسن اسراء خشمان
Published: April 2024

يهدف البحث الحالي الى معرفة فاعلية برنامج قائم على استراتيجية الالعاب التعليمية لتنمية مهارات التفكير الهندسي لدى تلاميذ الصف الخامس الابتدائي، إذ استخدمت الباحثة التصميم التجريبي ذات المجموعتين المتكافئتين احداهما تجريبية والاخرى ضابطة، وقد بلغ حجم عينة البحث(56) تلميذة، اجرت الباحثة التكافؤ بين مجموعتي البحث في عدد من المتغيرات، ولتحقيق هدف البحث تبنت الباحثة اختبار (خلف الله،2013) لمهارات التفكير الهندسي وقد تحققت الباحثة من صدقه وتميزه وثباته، وبعد معالجة البيانات احصائيا باستخدام الاختبار التائي (T-Test) لعينتين مستقلتين اظهرت النتائج عن وجود فرق دال إحصائياً عند مستوى(05‚0) بين المجموعتين التجريبية والضابطة في اختبار مهارات التفكير الهندسي لصالح المجموعة التجريبية، ومن اهم توصيات البحث الاهتمام بتقدم مفاهيم التفكير الهندسي وعدم اغفالها كأحد اهم المتغيرات الواجب مراعاتها في بناء المناهج، ومن مقترحات البحث استخدام استراتيجيات اخرى لتنمية مهارات التفكير الهندسي على مراحل دراسية أخرى.
Stochastic Equilibrium Analysis to Optimize Solid Propellant Combustion Gas Composition
Authors: Michalski Quentin , Pudsey Adrian
Published: April 2024

Solid fuel ducted rockets operate with two-stage combustion. The first stage generates burnt products from the combustion of a fuel-rich solid propellant. In the second stage, those combustion products react with air and are ejected through a nozzle to produce thrust. The combustion efficiency of such a device strongly influences its performance and depends on the composition of the rich-fuel-burnt pyrolysis products. This study investigates the sensitivity of carbon, hydrogen, oxygen, and nitrogen (CHON) solid fuels’ burnt product composition to the fuel properties, composition, and heat of formation. The calculations are performed assuming adiabatic, isobaric chemical equilibrium on synthetic species. Existing species’ properties constrain the properties of the synthetic species. The trends of formation of the main species observed in gas generators, i.e., [Formula: see text], [Formula: see text], CO, [Formula: see text], [Formula: see text], [Formula: see text], and solid carbon, are presented. The sensitivity of the molar concentration ratio [Formula: see text] of [Formula: see text] to [Formula: see text] to the oxygen balance and propulsive properties is compared with an example of gas generator propellants. Recommendations for the possible optimization of fuel composition are formulated. For blends of the existing CHON species reported in the literature, it is shown that improving [Formula: see text] is only possible by degrading the specific impulse.
Acoustical Holography and Coherence-Based Noise Source Characterization of an Installed F404 Engine
Authors: Mathews Logan T. , Gee Kent L.
Published: April 2024

Understanding the acoustic source characteristics of supersonic jets is vital to accurate noise field modeling and jet noise reduction strategies. This paper uses advanced, coherence-based partial field decomposition methods to characterize the acoustic sources in an installed, supersonic GE F404 engine. Partial field decomposition is accomplished using an equivalent source reconstruction via acoustical holography. Bandwidth is extended through the application of an array phase-unwrapping and interpolation scheme. The optimized-location virtual reference method is used. Apparent source distributions and source-related partial fields are shown as a function of frequency. Local maxima are observed in holography reconstructions at the nozzle lipline, distinct in frequency and space. The lowest-frequency local maximum may relate to noise generated by large-scale turbulence structures in the convectively subsonic region of the flow. Other local maxima are correlated primarily with Mach wave radiation originating from throughout the shear layer and into the fully mixed region downstream of the potential core tip. Source-elucidating decompositions show that the order and behavior of the decomposition lend to the local maxima being related to distinct subsources. Between the local maxima, however, there may be a combination of sources active, which is likely the cause of the spatiospectral lobes observed in other full-scale, supersonic jets.
PEMBERDAYAAN ANGGOTA KELOMPOK WANITA TANI BAROKAH DALAM PROGRAM KAWASAN RUMAH PANGAN LESTARI (KRPL) DI KOTA BANDAR LAMPUNG
Authors: Anggraini Nuni , Tantriadisti Shinta , Ulfah Maria , Zaini Muhammad , Sudiyo Sudiyo
Published: April 2024

Kawasan rumah pangan lestari merupakan sebuah program yang memanfaatkan pekarangan rumah dan dirancang untuk memenuhi kebutuhan keluarga dan gizi. KRPL dapat meningkatkan pendapatan rumah tangga berbasis rumah tangga industri kreatif pengolahan makanan lokal. Masalah yang dihadapi oleh anggota Kelompok Wanita Tani Barokah di Kelurahan Gedong Meneng adalah kurangnya pemanfaatan pekarangan yang masih tergolong belum optimal. Hal ini disebabkan kurangnya anggota KWT Barokah dalam memahami Program KRPL dapat memenuhi kebutuhan pangan keluarga, kurangnya pengetahuan dan pemahaman mengenai budidaya tanaman hortikultura di lahan pekarangan, dan belum memahami tentang penyimpanan dan pengemasan hasil budidaya di lahan pekarangan. Solusi yang dapat diberikan untuk menyelesaikan masalah tersebut antara lain: memberikan penyuluhan tentang pentingnya Program KRPL dalam memenuhi kebutuhan pangan keluarga, memberikan pelatihan tentang pemanfaatan bahan-bahan sekitar dan baik sebagai media tanam sayuran, memberikan pelatihan tentang Pembuatan media tanam dan budidaya sayuran disekitar pekarangan rumah menggunakan bahan yang tersedia, dan memberikan pelatihan tentang Penyimpanan dan Pengemasan sayuran hasil budidaya
PENERAPAN TEKNOLOGI BIOFLOK PADA PEMBESARAN LELE DI POKDAKAN MINA KARYA DESA WAY DADI SUKARAME KOTA MADYA BANDAR LAMPUNG
Authors: Indariyanti Nur , Febriani Dian , Verdian Aldi Huda , Aluh Prastiti Linuwih
Published: April 2024

Pokdakan Mina Karya di Sukarame Bandar Lampung merupakan kelompok pembudidaya ikan lele. Berdasarkan analisis situasi yang telah dilakukan, permasalahan yang dihadapi oleh mitra antara lain  : produksi lele belum optimal karena masih menggunakan padat tebar rendah, efisiensi pakan rendah dan Feed Convertion Ratio (FCR) pakan tinggi, limbah buangan yang belum diolah dan penyakit yang mengakibatkan banyak kematian pada ikan lele. Solusi permasalahan adalah dengan penerapan teknologi bioflok yang diharapkan mampu meningkatkan produksi lele. Teknologi bioflok adalah budidaya ikan lele dengan kepadatan tinggi, hemat penggunaan air, efisiensi pakan tinggi karena penggunaan pakan dapat diperoleh dari hasil perombakan bahan organik yang ada pada media budidaya. Tujuan kegiatan ini adalah transfer ilmu pengetahuan dan ketrampilan teknologi bioflok melalui penyuluhan, pelatihan dan demonstrasi serta stimulan bantuan sarana budidaya lele dengan teknologi bioflok. Metode yang digunakan adalah metode ceramah, praktek, diskusi dan tanya jawab. Capaian kegiatan pengabdian antara lain peningkatan dalam pengetahuan dan ketrampilan dan berdampak positif bagi mitra antara lain : meningkatkan jumlah padat tebar  menjadi 500 – 1000 ekor/m3, meningkatkan tingkat kelangsungan hidup sebesar 95% dan menurunkan FCR menjadi 1,0 -1,1.Hal ini menunjukkan bahwa penyuluhan yang dilakukan diserap dengan cukup baik oleh peserta dan dapat menambah pengetahuan, dan keterampilan peserta serta dapat memberikan motivasi berwirausaha sebagai penguatan usaha mandiri.
Menelaah Peluang Perkembangan Pendidikan Islam Indonesia di Masa Depan Melalui Analisis Bibliometrik
Authors: Syi'bul Huda Ali Anhar , Syahidin Syahidin
Published: April 2024

This research, conducted in March 2024, focused on Islamic education through a Google Scholar database search, sampling 500 articles published between 2014-2024. Utilizing Publish or Perish (PoP) version 8.12 for metadata retrieval, the study analyzed publication trends, researcher productivity, and journal ranks descriptively. Results were exported into PoPCites format, mapped in Ms. Word 2021, and analyzed using VOSViewer (VV) version 1.6.20. Findings revealed fluctuating publication trends, with e-journals contributing the most (405 articles). Notable researchers include Hapza Ali (6 articles), Kemas Imron Rosadi (7 articles), and Rahmat Hidayat (4 articles). VV visualization depicted the research landscape with five clusters: Cluster 1 (6 items), Cluster 2 (6 items), Cluster 3 (4 items), Cluster 4 (2 items), and Cluster 5 (2 items), predominantly focusing on Islamic education and Islam.
Quality Control in the Mass Spectrometry Proteomics Core: a Practical Primer
Authors: Neely Benjamin , Perez-Riverol Yasset , Palmblad Magnus
Published: April 2024

The past decade has seen widespread advances in quality control (QC) materials and software tools focused specifically on mass spectrometry-based proteomics, yet the rate of adoption is inconsistent. Despite the fundamental importance of QC, it typically falls behind learning new techniques, instruments, or software. Considering how important QC is in a core setting where data is generated for non-mass spectrometry experts and confidence in delivered results is paramount, we have created this quick-start guide focusing on off-the-shelf QC materials and relatively easy to use QC software. We hope that by providing a background on the different levels of QC, different materials and their uses, describing QC design options, and highlighting some current QC software, that implementing QC in a core setting will be easier than ever. There continues to be development in each of these areas (such as new materials and software), and the current generation of QC mass spectrometry-based proteomics is more than capable of conveying confidence in results as well as minimizing laboratory downtime by guiding experimental, technical, and analytical troubleshooting from sample to results.
CHARMM Molecular Simulation Observations of Carbonaceous Materials as Possible Templates for Prebiotic Nucleic Acid Oligomer Formation
Authors: Du Anna , Monteith Barnas
Published: April 2024

This research utilizes CHARMM molecular simulations for the purposes of an initial qualitative observational study of diamond-like carbon and related carbonaceous substrates as potential templates for the abiotic formation of RNA polymers,. While a number of research group have looked at nanodiamond, graphite and other carbon and non-carbon-based materials (especially clays) as possible solid templates for early life, we propose that diamond-like carbon (DLC, also known as amorphous diamond or aD) may have been a plausible ideal template. This is due largely to the fact that DLC is a heterogeneous material, essentially an aggregation of various constituent carbon species (for instance, graphene, graphite, CNT, etc.), depending on formation conditions. Further, DLC exhibits a range of superlative material properties shared by diamond and graphitic materials It possesses high thermal diffusivity and conductivity along all planes due to its inherent anisotropism. Internal and surface structure variability could have played a crucial role in facilitating the molecular interactions that accelerated the abiotic formation of RNA oligomers, potentially supporting the RNA World hypothesis. Significant outside energy is not needed to enable oligomer formation. Entropy, in the form of heat, is a driving force that provides conditions necessary for oligomer formation. To reduce computational and financial costs, we investigate artificial intelligence-driven methodologies to inform optimal MD input parameters with the goal of generating key qualitative endpoints. As MD simulations are extremely computationally expensive due to the large quantity of electronegativity and force field interactions for trajectory calculations, we initially used a lightweight MD system combined with a transformer model to better predict the likelihood of achieving collisions between target molecules, and thus increase the chance of observing exemplar endpoints. Various key endpoints were observed, including Van der Waals oligomer-template attachment, translocation/rotation potentially leading to more complex configurations, quasi-elongation and bridging, as well as detachment). The observations of these endpoints suggest that carbonaceous materials such as DLC could plausibly have served as templates for the formation of early nucleic acid oligomers. Further simulations and physical experiments are needed to confirm these results, and to develop a supporting statistical model.
Transition Behaviors of Isostructural sql-Topological Hydrogen-Bonded Frameworks Composed of Naphthalene, Quinoxaline, and Pyrazinopyrazine Derivatives
Authors: Kubo Haruka , Konishi Shunsuke , Oketani Ryusei , Hayashi Takashi , Hisaki Ichiro
Published: April 2024

A series of isostructural reticular framework materials with systematic differences on chemical structures allows us to disclose correlations between specific structural factors and properties, providing insights for designing novel porous frameworks. However, even slight differences in the molecular structure often lead to non-isostructural polymorphic frameworks particularly in the case of hydrogen-bonded organic frameworks (HOFs) because the structures of HOFs are based on a subtle balance of reversible interactions. In this study, we found that three simple analogues of tetracarboxylic acids with naphthalene, quinoxaline, and pyrazinopyrazine cores (NT, QX, and PP, respectively) yield isostructural solvated HOFs (NT-1, QX-1, and PP-1, respectively), where hydrogen-bonded sql-networked sheets are slip-stacked with closely similar manners, and that these HOFs undergo structural transformations in different ways by guest solvent removal. Comparison of the crystal structures of the HOFs before and after the transformation revealed that intermolecular interactions of the core significantly affected on rearrangements of hydrogen bonds after the transformation. The results suggest the potential to control the properties and functions of isostructural HOFs by elemental doping.
Combined physics- and machine-learning-based method to identify druggable binding sites using SILCS-Hotspots
Authors: Nordquist Erik , Zhao Mingtian , Kumar Anmol , MacKerell Alex
Published: April 2024

Identifying druggable binding sites on proteins is an important and challenging problem, particularly for cryptic, allosteric binding sites that may not be obvious from X-ray, cryo-EM, or predicted structures. The Site-Identification by Ligand Competitive Saturation (SILCS) method accounts for the flexibility of the target protein using all-atom molecular simulations that include various small molecule solutes in aqueous solution. During the simulations the combination of protein flexibility and comprehensive sampling of the water and solute spatial distributions can identify buried binding pockets absent in experimentally-determined structures. Previously, we reported a method for leveraging the information in the SILCS sampling to identify binding sites (termed Hotspots) of small mono- or bi-cyclic compounds, a subset of which coincide with known binding sites of drug-like molecules. Here we build in that physics-based approach and present a machine learning model for ranking the Hotspots according to the likelihood they can accommodate drug-like molecules (e.g. molecular weight > 200 daltons). In the independent validation set, which includes various enzymes and receptors, our model recalls 65% and 88% of experimentally-validated ligand binding sites in the top 10 and 20 ranked Hotspots, respectively. Furthermore, we show that the model’s output Decision Function is a useful metric to predict binding sites and their potential druggability in new targets. Given the utility the SILCS method for ligand discovery and optimization the tools presented represent an important advancement in the identification of orthosteric and allosteric binding sites and the discovery of drug-like molecules targeting those sites.
Theoretical insight into complexation between cyclocarbons and C60 fullerene
Authors: Liu Zeyu , Lu Tian
Published: April 2024

This work conducts the comprehensive theoretical study on the non-covalent complexation between cyclocarbons of different sizes and C60 fullerene for the first time. The binding energy between cyclocarbons and C60 fullerene is observed to be significantly stronger than that between two C18 or two C60 fullerenes, indicating a particularly strong affinity between them. The cyclocarbons and C60 fullerene can spontaneously assemble into non-covalent complexes characterized by - stacking in the gas phase at room temperature, and the hydrophobic effect caused by the solvent environment can promote this binding. From C18 to C34, the binding strength with C60 fullerene increases almost linearly with the increase of cyclocarbon size, and the C34@C60 dimer exhibits a perfect nano-Saturn structure. By studying the trimers of 2:1 form between cyclocarbons and C60 fullerene, it is observed that as the ring size increases, the angle between the two cyclocarbons gradually decreases. In the largest trimer we studied, C60@2C34, the fullerene is symmetrically surrounded by two cyclocarbons. The results on the trimers formed by cyclocarbon and C60 fullerenes in a 1:2 ratio showed when the size of the cyclocarbon sandwiched between two fullerenes is not quite large, the trimers exhibit an ideal dumbbell-like structure, and the presence of the first fullerene has a significant synergistic effect on the binding of the second one. Combined with the analysis of interaction energy and van der Waals potential, we found that the cyclocarbon greatly promotes the non-covalent dimerization of fullerenes, which acted as a “molecular glue”.
De novo design of inhibitors of DNA methyltransferase 1: A critical comparison of ligand- and structure-based approaches
Authors: Prado-Romero Diana L. , Saldívar-González Fernanda I. , López-Mata Iván , Laurel-García Pedro A. , Sánchez-Cruz Norberto , Medina-Franco José L.
Published: April 2024

Designing and developing inhibitors against the epigenetic target DNA methyltransferase (DNMT) is an attractive strategy in epigenetic drug discovery. DNMT1 is one of the epigenetic enzymes with significant clinical relevance. Structure-based de novo design is a drug discovery strategy used in combination with similarity searching to identify a novel DNMT inhibitor with a novel chemical scaffold and warrants further exploration. This study aimed to continue exploring the potential of de novo design to build epigenetic-focused libraries targeted toward DNMT1. Herein, we report the results of an in-depth and critical comparison of ligand- and structure-based de novo design of screening libraries focused on DNMT1. The newly designed chemical libraries focused on DNMT1 are freely available on GitHub at https://github.com/DIFACQUIM/De-Novo_DNMT1.
Radiotherapy Mediated Catalytic Prodrug Therapy with Higher Radiochemical Conversion than Hydrated Electrons
Authors: Cao Wei , Wang Jian , Liang Yin , Wu Sijie , Deng Ruotong , Zhu Hanjie
Published: April 2024

Using radiotherapy to activate chemotherapeutic conversion is a promising approach to reduce off-target toxicity in cancer therapy. Current radiation chemistry mostly relies on substrate to react with the primary species of water radiolysis, with the most abundant being hydrated electron (e−aq) and ·OH. However, only 280 nM e−aq is generated by 1 Gy radiation, fundamentally limiting the yield of conventional radiation chemistry. Here, we show a radiation-mediated catalyst significantly boosts the radiochemical conversion of caged compounds. Palladium precatalyst could be transformed to active Pd(0) by γ-ray of as low as 1 Gy. The radiochemical yield can reach 2750 nM/Gy, which is 10 times that of e−aq. The strategy works even when obstructed by 15 cm of animal tissue. We demonstrate its functionality within live cells, showcasing the synergistic radiation-directed chemotherapy. We anticipate the altered mechanism of action to be a starting point for using bio-compatible dose of ionizing radiation to chemically manipulate deep tissue.
Greek Primary School Teachers’ Narratives about their Role Negotiation during the Covid-19 Pandemic
Authors: Tzifopoulos Menelaos
Published: April 2024

No one can dispute the fact that the teaching profession seemed to be tested during the coronavirus pandemic. Teachers were called upon to perform a difficult and multifaced role, without help and support from the state. The issues that teachers had to respond to and solve are related to their autonomy, their digital literacy competences and their relationships/cooperation with students. The new working conditions terrified teachers, who had to manage their digital classroom through a violent readjustment. Under these circumstances, Greek primary school teachers’ narratives offer us their phenomenological perspective on how they coped with their teaching duties during this period of health and educational emergency. An initial attempt is made to empathetically approach the ‘world’ of four teachers, while the subsequent interpretive and critical analysis serves as a means to illuminate ‘hidden’ beliefs of their professional role, the reshaping of their identity, and their adaptation to the online teaching context. Through their narratives, the teachers reflect on the issue of the lack of support from the state. They also note that they found it difficult to manage their e-classes in such a short time. Finally, there is a need for more effective preparation of teachers in times of uncertainty and crisis.
The Italian Way to the Europeanisation of Teacher Education: An Analysis of Reforms and the Ongoing Experience of Digital Transformation
Authors: Perla Loredana , Vinci Viviana , Agrati Laura Sara
Published: April 2024

The Covid-19 emergency compelled teachers to reshape their teaching approach. Teachers were able to better recognise technologies as a means of interaction and digital transformation as a driver for professional growth. The present paper addresses the Europeanisation of teacher education and professionalisation. This process, which recognises the specific histories and political cultures of national training systems while offering common categories of analysis, nowadays welcomes the challenge of the general digital transition. The aim of the paper is to focus on how the process of Europeanisation of teacher education in Italy is taking place. Two paths are proposed. The first is the presentation of a documentary review study of the latest ministerial reforms that interpret the European recommendations. The second is a description of the DidaSco continuous professional development programme at the University of Bari, which implements European recommendations and national directives through appropriate technological innovations, which have been made even more available since the pandemic. What emerges is the representation of a possible ‘Italian way’ to the Europeanisation of teacher training, as is being achieved through the opportunities of digital transformation.
Communicating with Machines: Future Trajectories in the Field of Human-Machine
Communication
Authors: Kim ihyun , Etzrodt Katri , Prahl Andrew , Edwards Chad
Published: April 2024

机器行为者(machine
actor)融入日常生活的现象不仅模糊了人机之间的界限,更带来了机遇和挑战。在此背景下,人机传播研究立足前沿,探索新兴的人机互动现象。这个由机器驱动的时代正在快速发展,本研究展望未来,讨论人机传播领域如何继续发展和扩展其研究范式。具体而言,本研究深入探讨人机传播的理论基础和方法论,考量以社会临场感和信任为中心的两个研究前沿,从不同角度探讨人机传播的重要意义并对人机传播未来的研究提出方向。
Medical students’ mental health in the COVID-19 pandemic
Authors: Inshyna N.M. , Chorna I.V.
Published: April 2024

The COVID-19 pandemic has had a significant impact on the well-being, both mental and physical, of students worldwide. Medical students faced challenges in the educational process, including online education, uncertainty as for the terms of licensing exams, and limited practical experience. The present study aimed to compare the impact of the COVID-19 pandemic on the mental health of medical students from Ukraine, India, and African countries, focusing on the frequency of incidence of psychosomatic symptoms, anxiety/insomnia, social dysfunction, and depression. 230 students of the Academic and Research Medical Institute of Sumy State University were survey participants. The mental well-being of medical students was assessed using the General Health Questionnaire. The obtained data were analyzed using the statistical software PAST v4.03. It was found that 60 % of students had mental health disturbances during the COVID-19 pandemic. Symptoms of depression were detected in 15% of medical students, psychosomatic symptoms in 34%, anxiety and insomnia in 47%, and social dysfunction in 65% of respondents. The main psycho-emotional disorder in most students was social dysfunction, which was associated with limited social activity during quarantine. It was found that students from India and African countries had a higher incidence of depression than Ukrainian students. Obviously, being away from home during a pandemic has an additional negative impact on the mental health of international students. The frequency of anxiety and insomnia was higher among Ukrainians than among foreign students. Changes in learning environments and concerns about personal and family health have contributed to heightened anxiety levels among Ukrainian students. It should be noted that with the transition to online learning and communication, students had to spend more time in front of screens, which could contribute to digital fatigue, disrupt sleep patterns, and negatively affect mental well-being. The results of the study provided valuable insight into the mental health challenges faced by medical students during the COVID-19 pandemic with regard to their nationality, highlighting the need for targeted psychological support interventions for students to improve their mental health.
Comparative toxicological-hygienic assessment, structural-morphological, physicochemical characteristics, and virucidal properties of new nanopowder materials TiO2 and TiO2@Ag
Authors: Yavorovsky O.P. , Riabovol V.M. , Zinchenko T.O. , Zahornyi M.M. , Ragulya A.V. , Tyschenko N.I. , Povnitsa O.Yu. , Artiukh L.O. , Zahorodnia S.D. , Ostapiv D.D.
Published: April 2024

In order to address safety concerns related to the acquisition and utilization of TiO2 and TiO2@Ag nanomaterials, as well as to investigate their disinfectant and biological effects, the structural-morphological, morpho­metry, toxicological, cytotoxic, and virucidal properties of these specified nanomaterials have been studied through experiments conducted on laboratory animals and in vitro. It has been demonstrated that the TiO2@Ag nanocomposite exhibited distinct physicochemical characteristics: it consisted of TiO2 nanoparticles ranging in size from 13 nm to 20 nm and Ag nanoparticles ranging from 35 nm to 40 nm with 4.0 wt% of silver localized on the surface of titanium dioxide. The purity of the modification of synthesized nano-TiO2 and nano-TiO2@Ag has been confirmed. Acute intraperitoneal administration of nanopowders revealed LD50 values of 4783.30 mg/kg for nano-TiO2 and 724.44 mg/kg for nano-TiO2@Ag. A slight accumulation was observed upon repeated (28-fold) intragastric administration of nano-TiO2. The cumulative dose administered, which equated to 15.9 multiples of the LD50 (76040 mg/kg), did not result in animal mortality but led to retardation in body weight gain. TiO2 and TiO2@Ag nanopowders do not irritate the skin, induce mild conjunctival irritation, and may exhibit a weak sensitizing effect. Nano-TiO2 and nano-TiO2@Ag powders accumulate in the tissues of internal organs and cause damage to the liver, kidneys, and lungs of laboratory animals upon intraperitoneal administration. The most characteristic morphological signs of the toxic effect of nano-TiO2 on liver tissue were observed at a level of 67.7% (cytoplasmic vacuolization in hepatocytes), while in the case of nano-TiO2@Ag initial necrotic changes were at a level of 70.0% (hepatocytes with pyknotic nuclei). Immunoassay analysis has demonstrated that TiO2@Ag and TiO2 nanomaterials at concentrations of 30 µg/ml can enhance the functional activity of peripheral blood mononuclear cells in vitro by increasing the production of cytokines IL-1, IL-6, TNF-α, and IL-4 in donors (p<0.05). This indicates the potential for chronic inflammation and allergic reactions among synthesis operators. In the study of the impact of nanomaterials on murine germ cells, it has been established that they affect the activity of mitochondrial enzymes and exert a damaging effect on mitochondrial membranes and overall cell integrity. Estimated approximate safe exposure levels in the workplace air are 0.3 mg/m3 for nano-TiO2 and 0.2 mg/m3 for nano-TiO2@Ag. Nano-TiO2@Ag and nano-TiO2 at a concentration of 100 µg/ml exhibit pronounced extracellular virucidal activity against human adenovirus serotype 2. The TiO2@Ag nanocomposite has a less damaging effect on Нер-2 cells compared to nano-TiO2.
Peculiarities of the clinical picture and diagnosis of dirofilariasis in the maxillofacial area: a series of cases from practice
Authors: Buniatian Kh.A. , Khotimska Yu.V. , Kovach I.V. , Yaroslavska Yu.Yu. , Bondarenko O.V. , Nazaryan R.S.
Published: April 2024

Dirofilariasis is a helminthiasis that occurs in carnivorous animals (dogs, cats, foxes, wolves, etc.) and less often in humans, although according to some authors it is believed that the number of infected animals approximately corresponds to the number of infected people. Dirofilariasis of the maxillofacial area is not a widespread condition, its cases are described in short series, therefore, the aim of this work is to share our own experience of managing patients with this rare condition.The work presents our own experience in the management of 14 dirofilariasis patients with lesions of the maxillofacial area, of them there are 3 men and 11 women aged 29 to 54. Most patients sought help in the late autumn, winter and spring periods and only 2 people in the summer period. All patients were examined by a dentist, and an ultrasound examination of the area with a formation was performed. According to the clinical manifestations, the disease began acutely in nine patients and had a picture of inflamed atheroma (2 – in the zygomatic area, 1 – in the parotid, 2 – in the infraorbital area, 2 – in the temporal area, and 2 – in the area of the nasal bridge). All patients were operated on and tumor-like formations in dense membranes were removed, inside which one live nematode 11-18 cm long was found. In 3 observations, fragments of dead, partially lysed nematodes were removed from the oral cavity, the capsules of which imitated a migrating granuloma. According to the location – 5 capsules with dirofilaria were located in the subcutaneous fatty tissue, 3 – in the submucosal layer of the gums fused to the periosteum of the upper jaw, 1 – in the submucous layer of the lower jaw, 2 – in the fibers of the temporalis muscle and 1 – in the fibers of the buccal muscle. In each case, the localization of the nematode was close to the places of accumulation of adipose tissue or large blood vessels. In the postoperative period complex therapy was prescribed, including symptomatic anti-inflammatory and desensitizing agents, and consultation with infectionist was recommended. Thus, according to our observations, dirofilariasis most often affects areas of the face in which there are large vessels and accumulation of fatty tissue. In connection with the prevalence of dirofilariosis in humans and the predominant localization of parasitic infection in the face area, dentists, ophthalmologists and otolaryngologists need to be familiar with this pathology and show definite vigilance. Treatment dirofilariosis patients should be carried out comprehensively, together with parasitologists, with surgical excision of the lesion and appropriate drug therapy.
Investigating the effects of Bartonella quintana on the host transcriptional cofactor MAL
Authors:   , Douylliez Isabelle
Published: April 2024

Bartonella quintana is a Gram-negative facultative intracellular bacterial pathogen that has been infecting humans for more than 4,000 years. Today, B. quintana is considered a re-emerging pathogen. The Bartonella genus contains many species which infect a wide range of mammals, with each Bartonella species highly adapted to one or a few mammalian hosts. In a human host, B. quintana can lead to a range of clinical manifestations, including the disease trench fever. B. quintana infection can be long-term and asymptomatic but can also be life-threatening. Despite being a widespread ancient pathogen capable of causing serious disease, there are many aspects of B. quintana infection that remain poorly characterised. This project investigated the interaction between B. quintana and the host transcriptional cofactor MAL. MAL interacts with the transcription factors SRF and NF-κB to control the expression of hundreds of genes involved in actin, the cytoskeleton, cell motility, and inflammation. There is evidence that B. quintana interferes with cellular processes controlled by the MAL/SRF and MAL/NF-κB pathways. B. quintana potentially induces cytoskeletal rearrangements and cell migration to disseminate within the host and modulates immune responses to evade the immune system. These effects are thought to be mediated by Bartonella effector proteins (Beps), which are injected into host cells via type-IV-secretion systems, as some B. quintana Beps have been shown to target cell signalling pathways known to regulate MAL.

To assess whether B. quintana affects MAL, I developed tissue culture models that allowed the subcellular localisation of MAL within infected host cells to be visualised using fluorescence microscopy. Since the subcellular localisation of MAL is related to its activity, this can be used as a proxy for activation of the MAL/SRF and MAL/NF-κB pathways. B. quintana was found to induce MAL nuclear accumulation in macrophage-like cells, suggesting that B. quintana can activate MAL in human cells. The specific mechanisms by which B. quintana affects MAL’s subcellular localisation and activity were not identified, and I was unable to confirm whether B. quintana activates the MAL/SRF pathway or the MAL/NF-κB pathway. However, these data suggest that the subversion of host cell signalling by B. quintana involves the transcriptional cofactor MAL. Exploring the interactions between B. quintana and host signalling pathways is important in identifying potential targets for the treatment of B. quintana infection and in contributing to our understanding of cell biology.