bluuebunny/crossref_metadata_2025_split huggingface dataset:
Improving ADMET Prediction Accuracy for Candidate Drugs: Factors to Consider in QSPR Modeling Approaches
Authors: Chen Meilun , Yang Jie , Tang Chunhua , Lu Xiaoling , Wei Zheng , Liu Yijie , Yu Peng , Li HuanHuan 
Published: December 2023

Abstract:Quantitative Structure-Property Relationship (QSPR) employs mathematical and statistical methods to reveal quantitative correlations between the pharmacokinetics of compounds and their molecular structures, as well as their physical and chemical properties. QSPR models have been widely applied in the prediction of drug absorption, distribution, metabolism, excretion, and toxicity (ADMET). However, the accuracy of QSPR models for predicting drug ADMET properties still needs improvement. Therefore, this paper comprehensively reviews the tools employed in various stages of QSPR predictions for drug ADMET. It summarizes commonly used approaches to building QSPR models, systematically analyzing the advantages and limitations of each modeling method to ensure their judicious application. We provide an overview of recent advancements in the application of QSPR models for predicting drug ADMET properties. Furthermore, this review explores the inherent challenges in QSPR modeling while also proposing a range of considerations aimed at enhancing model prediction accuracy. The objective is to enhance the predictive capabilities of QSPR models in the field of drug development and provide valuable reference and guidance for researchers in this domain.
Study of the Antihypertensive Effect of Scorzonera undulata ssp. deliciosa
in Albino Wistar Rats
Authors: Amssayef Ayoub , Ajebli Mohammed , Eddouks Mohamed 
Published: December 2023

Aims:
The study aimed to investigate the antihypertensive activity of Scorzonera undulata
ssp. deliciosa.

Background:
Scorzonera undulata ssp deliciosa, locally known as “Guiz”, is used in traditional
medicine in Morocco as a diuretic and mainly against snake bites.

Objective:
This study investigated the possible antihypertensive effect of the aqueous extract of
Scorzonera undulata (AESU).

Material and Methods:
In the present study, the antihypertensive activity of AESU was tested
in normotensive and hypertensive rats.

Results:
The results indicated that AESU decreased the systolic, diastolic, and mean arterial
blood pressure in hypertensive rats. The data revealed that AESU exerted its antihypertensive
effect through vasodilatory properties. Interestingly, the study demonstrated that the vasorelaxation
ability of AESU might be mediated through receptor-operated calcium channels (ROCCs).
However, AESU dhad effect on inhibiting ACE-2.

Conclusion:
The present study indicates the antihypertensive and vasorelaxant activities of AESU
in hypertensive rats.
Effectiveness of Telemonitoring in Reducing Hospitalization and Associated Costs for Patients With Heart Failure in Finland: Nonrandomized Pre-Post Telemonitoring Study
Authors: Kokkonen Jorma , Mustonen Pirjo , Heikkilä Eija , Leskelä Riikka-Leena , Pennanen Paula , Krühn Kati , Jalkanen Arto , Laakso Jussi-Pekka , Kempers Jari , Väisänen Sami , Torkki Paulus 
Published: December 2023

Background
Many patients with chronic heart failure (HF) experience a reduced health status, leading to readmission after hospitalization despite receiving conventional care. Telemonitoring approaches aim to improve the early detection of HF decompensations and prevent readmissions. However, knowledge about the impact of telemonitoring on preventing readmissions and related costs remains scarce.

Objective
This study assessed the effectiveness of adding a telemonitoring solution to the standard of care (SOC) for the prevention of hospitalization and related costs in patients with HF in Finland.

Methods
We performed a nonrandomized pre-post telemonitoring study to estimate health care costs and resource use during 6 months on SOC followed by 6 months on SOC with a novel telemonitoring solution. The telemonitoring solution consisted of a digital platform for patient-reported symptoms and daily weight and blood pressure measurements, automatically generated alerts triggering phone calls with secondary care nurses, and rapid response to alerts by treating physicians. Telemonitoring solution data were linked to patient register data on primary care, secondary care, and hospitalization. The patient register of the Southern Savonia Social and Health Care Authority (Essote) was used. Eligible patients had at least 1 hospital admission within the last 12 months and self-reported New York Heart Association class II-IV from the central hospital in the Southern Savonia region.

Results
Out of 50 recruited patients with HF, 43 completed the study and were included in the analysis. The hospitalization-related cost decreased (49%; P=.03) from €2189 (95% CI €1384-€2994; a currency exchange rate of EUR €1=US $1.10589 is applicable) during SOC to €1114 (95% CI €425-€1803) during telemonitoring. The number of patients with at least 1 hospitalization due to HF was reduced by 70% (P=.002) from 20 (47%) out of 43patients during SOC to 6 (14%) out of 43 patients in telemonitoring. The estimated mean total health care cost per patient was €3124 (95% CI €2212-€4036) during SOC and €2104 (95% CI €1313-€2895) during telemonitoring, resulting in a 33% reduction (P=.07) in costs with telemonitoring.

Conclusions
The results suggest that the telemonitoring solution can reduce hospital-related costs for patients with HF with a recent hospital admission.
Formal modeling of multi-viewpoint ontology alignment by mappings composition
Authors: Kolli Manel 
Published: December 2023

Abstract
We propose a formal approach based on Bigraphical Reactive Systems (BRS) to provide a formal modeling of multi-viewpoint ontology alignment by composition systems’ structure using bigraphs their dynamic behaviors using bigraphical reaction rules. In the first phase of this approach, we address the modeling of the static structure the dynamic behavior of multi-viewpoint ontology alignment systems. We show how bigraphs enable the description of the di erent multi-view point ontology entities. Furthermore, we define a set of bigraphical reaction rules to model the dynamic nature of the alignment. We introduce composition strategies to describe multi-viewpoint ontology alignment systems’ behaviors. Then, we present a case study on which we illustrate the application of our proposed approach. Finally, we combine the logical reflection of Maude language the hierarchical structure of the BRS to provide an executable formal model for multi-viewpoint ontology alignment by composition systems.
Parallelising semantic checking in an IDE: A way toward improving profits and sustainability, while maintaining high-quality software development
Authors: Szabados Kristóf 
Published: December 2023

AbstractAfter recent improvements brought the incremental compilation of large industrial test suites down to a few seconds, the first semantic checking of a project became one of the longest-running processes. As multi-core systems are now the standard, we derived a parallelisation using software engineering laws to improve the performance of semantic checking.Our measurements show that even an outdated laptop is fast enough for daily use. The performance improvements came without performance regressions, and we can’t expect additional massive benefits even from infinitely scaling Cloud resources.Companies should utilise cheaper machines that still o er enough performance for longer. This approach can help businesses increase profits, reduce electronic waste and promote sustainability while maintaining high-quality software development practices.
Methods for the graph realization problem
Authors: Kása Zoltán , Kupán Pál A. , Pătcaş Csaba György 
Published: December 2023

Abstract
The graph realization problem seeks an answer to how and under what conditions a graph can be constructed if we know the degrees of its vertices. The problem was widely studied by many authors and in many ways, but there are still new ideas and solutions. In this sense, the paper presents the known necessary and su cient conditions for realization with the description in pseudocode of the corresponding algorithms. Two cases to solve the realization problem are treated: finding one solution, and finding all solutions. In this latter case a parallel approach is presented too, and how to exclude isomorphic graphs from solutions. We are also discussing algorithms using binary integer programming and flow networks.
In the case of a bigraphical list with equal out- and in-degree sequences a modified Edmonds–Karp algorithm is presented such that the resulting graph will be always symmetric without containing loops. This algorithm solves the problem of graph realization in the case of undirected graphs using flow networks.
Enhancing healthcare services recommendation through sentiment analysis
Authors: Rana Muhammad Rizwan Rashid , Nawaz Asif , Ali Tariq , Mustafa Ghulam 
Published: December 2023

Abstract
As technology advances, most people use social media sites like Twitter, Facebook, and Flickr to share information and communicate with others. The volume of free-text data is growing daily due to the widespread use of these social media platforms. These platforms contain a substantial amount of unstructured information. Patient opinions expressed on social media platforms play a significant role in healthcare improvement and impact health-related policymaking. In this research, we introduce a machine learning approach for the optimal identification of healthcare-related features. This approach is based on a novel synthetic method. Additionally, we employ an entropy-based technique to classify free-text comments from hospital data into positive, negative or neutral. The experimental results and evaluations show 85%, 82.3%, 78.2% and 87% accuracy between ratings of health care. We observed that there is a minor association between our technique, expert opinion and patient interviews. Through the use of machine learning techniques, we achieve an accuracy level that suggests we are capable of providing an accurate and reasonable assessment of the ideal healthcare center for a patient. Our proposed novel framework predicts the healthcare experience at hospitals based on patient reviews posted on social media. This innovative approach outperforms traditional methods, such as surveys and expert opinions.
Musical Affordances and the Gestalt Legacy: enriching music perception
Authors: Klotz Sebastian 
Published: December 2023

Summary
In the current cognitive theory of music, concepts of Gestalt psychology are referred to in various ways. For example, neurocognitive models of music perception address the formation of auditory Gestalts as a stage in the formation of meaning. However, this view runs counter to central premises of Gestalt psychology of Carl Stumpf’s school, which precisely did not describe Gestalts as synthesized phenomena. Nevertheless, it is argued here, borrowing from Gestalt concepts can promote current non-reductionist positions. They conceptualize musical perception not in the ways of information theory, but of phenomenology and action theory. Here the theory of affordance developed by J.J. Gibson in close collaboration with his wife Eleanor J. Gibson stands out. It was explicitly introduced into musicological research by Eric Clarke, but without reference to its Gestalt psychological roots. The article explores theories of musical affordance with the help of further methodological tools, which can be assigned to the philosophical schools of direct realism and constructivism. They open up the possibility of a non-cognitivist and non-representational perspective on musical perception. It turns out that Gestalt psychological concepts also have a catalytic effect on the expansion of our understanding of musical perception in this constellation, although this connection has hardly been visible so far.
Foam Glass Synthesized Exclusively from Wastes
Authors: Babisk Michelle Pereira , Vilela Thainá Correia , Tabelini Diego Borges , Gadioli Mônica Castoldi Borlini , Vieira Carlos Maurício Fontes 
Published: December 2023

Purpose: The objective of this research was to synthesize and characterize foams glass using glass waste as a glass matrix and marble waste as a foaming agent. Theoretical framework: Foams glass are examples of very porous materials, the result of the insertion of a gaseous phase into a solid phase and are mostly used as thermal and acoustic insulators. Foam glass are obtained by adding a foaming agent to finely ground glass and heating it to temperatures above its softening point. Ornamental stones are basically subdivided into granites and marbles. Carbonate stone are generally included as marbles. The processing of these stones generates large amounts of fine waste. Brazil generates around 2.5 million tons of stone waste per year. Marble waste has great potential to be used as a foaming agent in the synthesis of foams glass. Method/design/approach: The glass and marble wastes were characterized by chemical, mineralogical, granulometric, thermal and morphological analysis. Foams glass were synthesized with 3, 6, 9 and 12% by mass of marble waste in mass of glass waste, fired at temperatures of 750, 800, 850 and 900°C. The characterization of the foam glass was carried out through analysis of volumetric expansion, density, porosity, and the microstructure evaluated by microscopy. Results and conclusion: The waste characterization results proved that they are capable of synthesizing foams glass for the desired purposes, glass waste as a glass matrix and marble waste as a foaming agent. The synthesized foam glass showed excellent volumetric expansion with density and porosity values ​​compatible with those of commercial foam glass. Research implications: The use of wastes as raw material in the production of foams glass, thus aiming to reduce the consumption of natural resources, as well as reducing the environmental impact caused by wastes. Originality/value: Synthesize foams glass exclusively with wastes. It is also one of the waste of ornamental stone, generated in the order of millions of tons.
Faidherbia albida trees form a natural buffer against millet water stress in agroforestry parklands in Senegal
Authors: Clermont-Dauphin Cathy , N’dienor Moussa , Leroux Louise , Ba Halimatou. S , Bongers Frans , Jourdan Christophe , Roupsard Olivier , Do Frederic C. , Cournac Laurent , Seghieri Josiane 
Published: December 2023

Description of the subject. In central-west Senegal, agroforestry parklands dominated by Faidherbia albida trees might protect the millet crop against drought and increase agricultural production. Only few studies examined the water relations between the trees and the crop in farmers’ field conditions. Objectives. Our aim was to explore the effect of F. albida trees on millet water potential and the implications for millet yield in F. albida parklands. Method. Sixty-eight F. albida plots scattered in five villages were selected in the 2019 rainy season. In each plot, a pair of millet subplots, “close-to-tree subplot” and “open subplot”, was monitored. We measured millet predawn and midday leaf water potential (Ψp, Ψm), top soil bulk density, water content and temperature, and grain and straw yields at harvest. Results. Pairwise comparisons of Ψp and Ψm of millet indicated better and more stable water status and lower soil temperature and bulk density in close-to-tree subplots. Soil water was sometimes lower in close-to-tree subplots, perhaps because the higher crop biomass in this location resulted in higher water loss through crop transpiration. Tree effects on millet grain and straw yield were positive or null. Correlations between millet yield and Ψp, Ψm measured around flowering were weak. Conclusions. Given their common positive effects on millet water status and yield, F. albida trees could play a key role in promoting sustainable agriculture under the changing climate conditions. Millet yield increase due to the tree proximity was likely due to changes induced by the tree on multiple environmental resources. The interactions of micro-pedoclimatic conditions, livestock and tree management (e.g. density, pruning intensity) on the tree effects should be the focus of future studies.
ОЦІНКА КЛІНІЧНОГО СТАНУ, КОГНІТИВНОЇ ФУНКЦІЇ ТА КОМПЛАЄНТНОСТІ ДО БАЗИСНОЇ ТЕРАПІЇ У ХВОРИХ НА ХОЗЛ ІЗ СУПУТНЬОЮ ІХС
Authors: Колеснікова Олена 
Published: December 2023

За темою дослідження обстежено 38 хворих на ХОЗЛ та супутню ІХС, 32 хворих на ізольований ХОЗЛ, 23 пацієнта з ізольованим ІХС. Встановлено, що у хворих на ХОЗЛ як з супутньою ІХС так і без ІХС визначаються помірні когнітивні порушення та легкий ступень тривожності. Виявлено, що у пацієнтів усіх обстежених груп спостерігалась недостатня прихильність до базисної терапії захворювань. При оцінці показників прихильності до базисної терапії на візиті-2 у порівнянні з візитом-1 було відмічено зниження ризиків некомплаєнтності до базисної терапії у всіх групах спостереження. Відзначено, що на тлі покращення прихильності до базисної терапії зменшилась виразність диспноє при фізичному навантаженні у хворих на ХОЗЛ, ІХС та ХОЗЛ у поєднанні з ІХС. У всіх пацієнтів, що були опитані на другому візиті, спостерігаються середньо важкі тривожні розлади. Але неможливо пов`язати зростання тривоги виключно із соматичною патологією (ХОЗЛ та ІХС), так як на час опитування почалися та тривали бойові дії в Україні та безпосередньо в Харківській області. Ключові слова: хронічне обструктивне захворювання легень, ішемічна хвороба серця, когнітивна функція, тривога, депресія, комплаєнтність до терапії.
ROSSOTRUDNICHESTVO AS AN INSTRUMENT OF SOFT POWER OF THE RUSSIAN FEDERATION
Authors: Andriyenko O. 
Published: December 2023

In the article the philosophical aspect of modern Russias’ soft power which is expressed in the activities of Rossotrudnichestvo (The Federal Agency for the Commonwealth of Independent States, Compatriots who Live Abroad) has been analyzed. The methodological background of the research includes the following grounds: dialectical logic; systematic approach; historical approach; elements of a synergistic approach; general logical methods (the ascent from the abstract to the certain; analysis; synthesis; modeling and typology). The accent has been made on the variety of ways of interpretation of soft power in modern world (American, Chinese, Indian and other approaches to this concept), on the specific features and historical background of Rossotrudnichestvo as an instrument of soft power of Russia, and on the main problems facing the work of the Agency in modern international environment. Key words: Soft Power, Smart Power, Attractive Power, Wise Power, Social Worldview, Political Philosophy.
ANALYSIS OF ARTICLE 3683 OF THE CRIMINAL CODE OF UKRAINE
Authors: Vitsiuk Olga 
Published: December 2023

This article provides a detailed analysis of the provisions of the Criminal Code on bribery of officials, namely the rules establishing liability for bribery of an official of a legal entity of private law, regardless of organizational and legal form (Articles 354, 364, 364-1, 365-2 , 368, 368-3, 368-4, 369, 369-2, 370 of the Criminal Code of Ukraine), through the analysis of the mechanism of construction of sanctions of criminal law. And also substantiated recommendations are provided for their completion. Key words: illegal benefit, bribery, offer of illegal benefit, limits of punishment, official.
DETERMINISTIC-PROBABILITY EVALUATION METHOD OF THE AVERAGE TECHNICAL SPEED OF AUTO AND ARMORED TECHNICS
Authors: Pjatkov Maksim 
Published: December 2023

The functioning of military parts and units involves the widespread using of auto and armored technics (hereinafter - AAT).The machines are providing timely delivery personnel, weapons, ammunition, and other material and technical stuff for all types of supply without exception more than 80%.However, we have the situation that existing methods of operational and tactical calculations of the march do not fit the requirements for accuracy and speed of obtaining time indicators of the duration of columns movement, groups or single machines in relation to the planning of AAT exploitation. This is expressed in the presence of a large number of calculations in operational-combat, operational-service and other planning documents of the border protection and in matters relating to the use of reserves, response group, border patrols and more.That was find out due to the results of studying the materials of service investigations, interviewing officers of the headquarters of the numerous border detachments about cases of non-compliance with time indicators calculated according to the existing methods of operational and tactical calculations during complex, targeted, unannounced inspections of units.Comparison of time indicators in the above documents with the real time of reserves arrival showed us their incomplete compliance with the required time indicators and led to the recognition of these units as "limited" ready or "not ready" to performance tasks.In that way, the main reason was not taking into account the influence on time indicators of duration of movement of a number of traction-dynamic, road-soil, natural-climatic and ergonomic factors in the existing methods of marches calculation.The aim of the article is to present an improved method for evaluation the average technical speed of auto and armored technics which included the existing deterministic method and probabilistic approach for forecasting the final realized speed taken into account the traction, structural properties, probabilistic changes of climatic conditions, as well as ergonomic qualities of drivers.For this purpose, we analyzed previous researches of methods and techniques for determining the average speed and average technical speed of AAT. The existing deterministic methodology has been improved as the result.This methods aims to simplify and at the same time increase the accuracy of calculating the real average speeds on the march by taking into account the probabilistic values of speed changes depending on a set of variable factors in the system "driver-machine-environment", rational relations between average speed and specific power for more formal either probable conditions of movement of AAT that will allow to approach more correctly to planning marches of units and movement of separate groups .
ANALISA STUKTUR MIKRO MATERIAL KOMPOSIT POLIMER BERPENGUAT SERBUK CANGKANG KERANG
Authors: Nayan Ahmad , Hafli Teuku 
Published: December 2023

Material komposit karena keunikannya yang memliki sifat mekanik dan sifat fisik berbanding terbalik dengan material logam menjadi daya tarik tersendiri bagi para peneliti untuk menemukan komposisi yang sesuai gabungan beberapa material. Sifat mekanik yang paling menonjol dari material komposit polimer adalah memili kekuatan yang lebih besar dari materila logam tapi memiliki bobot berat yang lebih ringan. Penggunaan material alami sebagai penguat semakin banyak dilakukan penelitian untuk menghindari penggunaan bahan sintesis yang bersifat tidak dapat perbaharui seperti serat gelas. Cangkang kerang yang memiliki sifat keras dan ringan merupakan salah satu alternatif penguat pada bahan komposit. Penenlitian ini menggunakan partikel cangkang kerang sebagai penguat material komposit dengan variasi fraksi volume 20%, dan 40% untuk menganalisa bentuk mikro struktur yang menyebabkan menurunya kekautan tarik. Spesimen dipersiapkan dengan menggunakan metode pencampuran manual. Spesimen untuk pengujian uji tarik merujuk pada standar ASTM D638–02 bertujuan untuk mengetahui sifat mekanik komposit partikel cangkang kerang dan mengetahui bentuk patahan struktur mikro material komposit melalui pengujian morfologi SEM (Scanning Electron Microscope). Hasil dari pengujian kekuatan tarik pada fraksi volume 40% dengan nilai rata-rata sebesar 103 MPa, dengan regangan tarik 0,69%, sementara pada rata-rata dengan nilai sebesar 102,57 MPa, regangan tarik sebesar 0,62%. Berdasarkan hasil pengamatan morfologi patahan dengan menggunakan SEM. Menunjukkan hasil patahan yang terbagus terdapat pada komposit dengan ukuran pengisi 200 Mesh dan komposisi pengisi 40%.