bluuebunny/crossref_metadata_2025 huggingface dataset:
Stability Indicating and Green Solvent-assisted Chromatographic Analysis of an Antiviral Drug
Authors: Archana K. , Sumithra M.
Published: June 2024

This study presents a green chromatographic method for estimating the Ganciclovir, demonstrating validation parameters in alignment with ICH guidelines and green chemistry principles. The green analytical technique utilized the ethanol and acidic water at pH 3.0 as solvents, with an optimized mobile phase ratio of (80:20) and a flow rate of 1.0ml/min with a zorbax eclipse plus C18 (4.6 x 150mm, 5mm). Ethanol is listed as a green solvent in U.S Tri EPA with (CAS 64-17-5), as well as economical with manageable waste compared to traditional solvents. Green Evaluation tools such as AGREE, GAPI, and COMPLEX GAPI were employed to assess the greenness scores of the method. The AGREE tool provided an evaluation of the greenness of the method while the GAPI and COMPLEX GAPI offered details about the assessment of the method’s adherence to the green chemistry principles. These tools were developed in adherence to 12 green analytical chemistry principles that provide a holistic approach toward qualitative and quantitative evaluations. The importance of greenness in analytical methods lies in reducing environmental impact, improving analyst safety, lowering cost and waste, and fostering environmental responsibility.
The linearity range was 10-50μg/ml with a regression coefficient of less than or equal to 0.999 indicating a strong linearship. RSD values are consistently below 2% and recovery rates for ganciclovir ranged from 98% to 102% within acceptable ranges. Under forced degradation conditions the desired amount of degradation was exhibited 8.02% degradation in acid, 9.25% in alkaline hydrolysis, 4.02% degradation in peroxide, 5.42 % in thermal, and 6.38 % in photolytic studies which are within limits as per 5-20% as per ICH Q1B guidelines. Incorporating ICHQ1(R2) the method validation parameters are within the range and thoroughly addressed.
Risk of Drug Overdose Death among Residents of Urban Census Tracts with Low-Level Opportunity: How Granular Geographical Analyses Uncovers Socioenvironmental Correlates of Drug-related Mortality in Cuyahoga County, Ohio
Authors: McMaster Ryan , Masarweh-Zawahri Luma , Flynn Karen Coen , Deo Vaishali , Flannery Daniel
Published: June 2024

Geostatistical data aggregated at state, county, municipality, or ZIP code levels often are utilized for assessing drug overdose epidemic impact and planning resource distribution. However, data aggregated at these levels may obscure critical disparity among populations experiencing high rates of drug-related mortality (DRM), especially in densely populated urban areas. This study centered on Cuyahoga County (Cleveland), Ohio, which ranks as the 15th deadliest county in the United States for drug-related mortality. It builds on recent studies that adopted a finer geographical lens by examining DRM rates at the census tract level. Our investigation used Cuyahoga County census tracts with high and low DRM rates and compared them with Cuyahoga County census tracts with high and low levels of opportunity as developed by a statewide opportunity index available to the public. Analyzing DRM data from 2014 to 2022, we found that the odds of DRM in low-opportunity areas were quadruple that in high-opportunity zones. Our findings highlight the critical need for more granular geographic analysis in urban areas, where heterogenous socioeconomic and environmental conditions appear to correlate with significant heterogeneity in the ways in which residents experience the overdose epidemic. By focusing on smaller areas, this approach provides a clearer understanding of the DRM landscape that could facilitate the prioritization of targeted public health responses and interventions for communities most at risk.
Plyometric training increases thickness and volume of knee articular cartilage in mice
Authors: Chiaberge Marco , Thottappillil Neelima , Liphardt Anna-Maria , Furlanetto Anderson , Odell Dylan , Wang Christine , Hope Stephen , Smee Stephen , Rehfus Joseph , Niehoff Anja , Shelhamer Mark , Norman Colin , Philippon Marc J. , Huard Johnny , James Aaron W. , Fan Chen-Ming
Published: June 2024

Degeneration and thinning of articular cartilage lead to osteoarthritis and may result from reduced joint loading during e.g. bed rest or as a result of microgravity during space flight. Anabolic physical exercises for cartilage are not well studied to date. We built an experimental apparatus for plyometric training with mice to test potential benefits of jumping for articular cartilage. The exercise group (JUMP) performed jump training for 9 weeks and was compared with sedentary mice (control, CON) and hindlimb-suspended (HLS) mice (to simulate reduced loading) for the same duration. Knee cartilage was assessed via 3-dimensional reconstruction of micro-CT scans and histology. We observed significant thinning and volume reduction of articular cartilage at the medial tibial-femoral point of contact in the HLS group. Clustering of chondrocytes was present in HLS. By contrast, the JUMP group showed both cartilage thickening and volume increase. We observed a similar trend on trabecular bone thickness and volume. Our results show that plyometric training can stimulate cartilage thickness and volume in mice. This suggests further investigation of this mode of exercise as a countermeasure to prevent cartilage atrophy in disuse scenarios such as long duration spaceflight, and for patients at risk of developing osteoarthritis.
First case of Klebsiella pneumoniae invasion syndrome caused by trauma
Authors: Chen Hong-qiao , Wei Wu-xiao , Mo Zhen-hua , Meng Lian
Published: June 2024

Background
Infection is a common and serious medical problem, especially for patients with chronic diseases since it can lead to serious complications. Infection is a common and serious medical problem, especially for patients with chronic diseases since it can lead to serious complications. Klebsiella pneumoniae (Kp) is a common bacterial pathogen of hospital and community infections. In addition to causing liver abscess, it can also lead to lung abscess, endophthalmitis, meningitis and other extrahepatic infections through blood transmission, resulting in Klebsiella pneumoniae invasion syndrome (KPIS). As a rare and severe infectious disease, KPIS is characterized by aggressive infection of multiple organs, whose mortality is high. According to the literature, the Kp strains associated with invasive infection of multiple human organs are defined as the serotype hypervirulent Klebsiella pneumoniae (hvKp). In recent years, the morbidity of KPIS has gradually increased, especially in the Asia-Pacific region, with the detection rate of hvKp in China being 5.2%, which is among the top 3 in the world.
Case presentation
To our knowledge, this is the first case of KPIS caused by trauma. A 72-years-old male patient living in Liuzhou, Guangxi Zhuang Autonomous Region, China was admitted to the intensive care unit (ICU) with "right frontal pain caused by a fall for 12 days, and dyspnea and abnormal mental behavior for 11 hours". After his condition stabilized, he was transferred to the department of neurology for further treatment. After a thorough examination by a multidisciplinary team (MDT), the patient was finally diagnosed as trauma-induced KPIS with accompanying liver abscess, bacteremia and metastatic infections (lung abscess, left endophthalmitis, suppurative meningitis). We adopted treatments including a long course of meropenem, cefoperazone sulbactam sodium combined with antibiotic therapy, supportive nursing and rehabilitation, achieving excellent efficacy.
Conclusion
Although infection from injury is a common condition for the general public, especially those with diabetes, it is still necessary to increase awareness of managing and preventing complications from infection. We hope to supplement the existing literature on this topic, strive to increase clinicians' understanding of KPIS through relevant literature review, and organize MDT consultation as soon as possible, thereby enabling early diagnosis and treatment to improve the clinical outcome of patients.
Deep Learning-derived Optimal Aviation Strategies to Control Pandemics
Authors: Dogra Prashant , Rizvi Syed , Awasthi Akash , Peláez Maria J. , Wang Zhihui , Cristini Vittorio , Nguyen Hien Van
Published: June 2024

The COVID-19 pandemic affected countries across the globe, demanding drastic public health policies to mitigate the spread of infection, which led to economic crises as a collateral damage. In this work, we investigate the impact of human mobility, described via international commercial flights, on COVID-19 infection dynamics on a global scale. We developed a Graph Neural Network (GNN)-based framework called Dynamic Weighted GraphSAGE (DWSAGE), which operates over spatiotemporal graphs and is well-suited for dynamically changing flight information updated daily. This architecture is designed to be structurally sensitive, capable of learning the relationships between edge features and node features. To gain insights into the influence of air traffic on infection spread, we conducted local sensitivity analysis on our model through perturbation experiments. Our analyses identified Western Europe, the Middle East, and North America as leading regions in fueling the pandemic due to the high volume of air traffic originating or transiting through these areas. We used these observations to propose air traffic reduction strategies that can significantly impact controlling the pandemic with minimal disruption to human mobility. Our work provides a robust deep learning-based tool to study global pandemics and is of key relevance to policymakers for making informed decisions regarding air traffic restrictions during future outbreaks.
WITHDRAWN: The effects of community built environment and physical activity of varying intensity and purpose on depressive trajectories among middle-aged and elderly: a national longitudinal study based on latent growth curve modeling
Authors: Zhang Kaili , Huang Bowen , Divigalpitiya Prasanna
Published: June 2024

Background
The effects of physical activity (PA) with different purposes and intensities on depression are inconclusive, while it is critical to incorporate the contextual community built environment (CBE) into longitudinal reviews of the effects of PA on depression.
Methods
This longitudinal study included 5993 middle-aged and elderly people from the China Health and Retirement Longitudinal Study, a CBE evaluation indicator system was developed based on the community questionnaire to measure physical built environment attributes for each community. Using latent growth curve modeling to evaluate 3 waves of cohort data (2015–2020) to explore the differential effects of PA with different purposes and intensities on depression and the impact of CBE among them.
Results
The level of low-intensity PA for exercise and entertainment purposes showed a negative predictive effect on the initial level of depression among middle-aged and elderly people, while the level of moderate-to-vigorous-intensity PA for work purposes showed the opposite effect. In terms of depression trajectories, the initial level of PA for these two different purposes also has opposite effects on the initial level of depression. Among all CBE variables, only the infrastructure condition can significantly and negatively predict the initial level of depression (β=-0.11, p < 0.01). The infrastructure condition (β = 0.12, p < 0.001), diversity of elderly care facilities (β = 0.06, p < 0.05), and accessibility of public transport (β = 0.06, p < 0.01) can significantly and positively predict the initial level of low-intensity PA for exercise and entertainment purposes. The density of public facilities (β = 0.10, p < 0.05) significantly and positively predicts the rising changes in low-intensity PA for exercise and entertainment purposes.
Conclusions
The study identified the effects of different types of CBE on trajectories of depression and PA among middle-aged and elderly, expanding the insights into the "PA paradox" in the mental health field and emphasizing that the effect of PA on depression varies by purpose and intensity. The findings provide longitudinal evidence for health-promoting environmental planning and public health guidance.
Research on the prediction method of Apple firmness based on sound signal ridge regression analysis
Authors: Wang Ranran , Kong Xianglu , Zhang Jinxing , Yuan Chunhong , Wang Dong , Cui Dongdong
Published: June 2024

Firmness can be used as one of the important indexes to indicate the ripeness of apples, usually determined by acoustic signal detection nondestructively, for the high correlation between acoustic signal features and firmness. In this paper, acoustic signal features with high temporal correlation are selected as the independent variable of the model. The acoustic signal and quality of apples were measured, and then 32 time-dependent signal features were selected by MATLAB analysis data, and the firmness of the apple was predicted by a ridge regression model. Using this method, the accuracy of the training set and verification set is 84.7and 82.4% respectively. The actual change of apples is consistent with the prediction trend. Because of its more characteristics and more accurate model, this method has better fault tolerance for data, reduces the environmental requirements for acoustic signal detection, and paves the way for the firmness prediction of other apple varieties.
Non-hemolytic Peptide Classification Using a Quantum Support Vector Machine
Authors: Zhuang Shengxin , Tanner John , Wu Yusen , Huynh Du Q. , Liu Wei , Cadet Xavier F. , Fontaine Nicolas , Charton Philippe , Damour Cedric , Cadet Frederic , Wang Jingbo
Published: June 2024

Quantum machine learning (QML) is one of the most promising applications of quantum computation. However, it is still unclear whether quantum advantages exist when the data is of a classical nature and the search for practical, real-world applications of QML remains active. In this work, we apply the well-studied quantum support vector machine (QSVM), a powerful QML model, to a binary classification task which classifies peptides as either hemolytic or non-hemolytic. Using three peptide datasets,we apply and contrast the performance of the QSVM, numerous classical SVMs, and the best published results on the same peptide classification task, out of which the QSVM performs best. The contributions of this work include (i) the first application of the QSVM to this specific peptide classification task, (ii) an explicit demonstration of QSVMs outperform-ing the best published results attained with classical machine learning models on this classification task and (iii) empirical results showing that the QSVM is capable of outperforming many (and possibly all) classical SVMs on this classification 1 task. This foundational work paves the way to verifiable quantum advantages in the field of computational biology and facilitates safer therapeutic development.
Screening and identification of Bacillus velezensis FLU-1 from the intestinal tract of largemouth bass and its use as a feed additive
Authors: Yang Mingqi , Wang Sunan , Yun Lili , Liu Zhikun , Chang Xulu
Published: June 2024

Probiotics have been widely used in aquaculture and may serve as a potential alternative to antibiotics. Host-derived probiotics are widely used in aquaculture because they are able to adapt to the host intestinal environment more easily than other probiotics. This study was conducted to evaluate the probiotic potential of the bacteria isolated from the gut of largemouth bass. The actions of dietary supplementation with B. velezensis FLU-1 were investigated in the largemouth bass with respect to growth, the morphology of the intestine, digestive and immune functions, and antioxidant capacity, as well as intestinal microbiota. The results revealed that B. velezensis FLU-1 exhibited promising probiotic traits, including extracellular enzyme production, ability to withstand acidic conditions, high bile salt concentration, and elevated temperatures. Furthermore, it demonstrated high hydrophobicity and auto-aggregation cability, alongside being free from antibiotic resistance and displaying a non-hemolytic nature. A diet with host–derived B. velezensis FLU-1 supplementation improved the growth performance of the fish. It also increased the length of the intestinal villi and tight junction gene expression levels, including claudin-2, occludin, and ZO-1. Host–derived B. velezensis FLU-1 supplementation enhanced the activities of protease, α-amylase, lipase, alkaline phosphatase, acid phosphatase, lysozyme, catalase, glutathione peroxidase, decreased the level of MDA, increased the level of the anti-inflammatory cytokine TGF-β, and decreased the level of the pro-inflammatory cytokine TNF-α. Furthermore, B. velezensis FLU-1 increased the levels of several probiotics, including Lactobacillus and Lactococcus, and bacteria that produce short-chain fatty acids, including Faecalibacterium, Bacteroides, and Clostridium. The results in vivo show that adding B. velezensis FLU-1 to the feed could reduce the mortality of largemouth bass after infection with A. hydrophila, as well as reduce the bacterial load in the spleen.The results indicated that further study is warranted concerning the use of B. velezensis FLU-1 combined with sodium gluconate as a diet supplement in other economically viable fish.
Antimicrobial Activity of Colletotrichum gloeosporioides Isolates from Mango (Mangifera indica) and Its Implications for Anthracnose Disease Management
Authors: Dangwal Pranshu , Juyal Saransh
Published: June 2024

Anthracnose disease, caused by the fungal pathogen Colletotrichum gloeosporioides, severely affects mango (Mangifera indica) production. This study aimed to evaluate the antimicrobial activity of various microbes, phytoextract and bioenzymes against C. gloeosporioides. The pathogen was isolated from leaves and fruits of mango trees in Amsaur village, Pauri, Garhwal region of Uttarakhand. Cultivation of C. gloeosporioides on different media allowed us to observe distinct cultural characteristics, including colony colour, elevation type, and growth pattern. The ideal growth conditions were found to be a temperature of 25°C and a pH of approximately 6. Our study evaluated the inhibitory effects of various microbial agents for biocontrol against C. gloeosporioides. Among these, Pseudomonas fluorescens exhibited a substantial inhibitory effect, with an impressive zone of inhibition measuring approximately 25 mm. Additionally, the extract derived from nettle grass demonstrated significant inhibitory activity, with a zone measuring approximately 20 mm. Notably, bioenzymes prepared from lemon peel exhibited the highest antimicrobial activity against the pathogenic fungus. These bioenzymes, produced from fruit waste, offer a sustainable and eco-friendly approach to managing anthracnose disease in mango plants. the biology of C. gloeosporioides and exploring effective biocontrol agents can contribute to mitigating the impact of anthracnose disease in mango production.
High glucose condition aggravates inflammatory response induced by Porphyromonas gingivalis in THP-1 macrophages via autophagy inhibition
Authors: Kwon Jin-Ju , Song Yuri , Chung Jin , Shin Sang-Hun
Published: June 2024

Background Porphyromonase gingivalis (P. gingivalis) is a type of the bacteria that cause periodontitis, which is highly correlated with systemic diseases such as diabetes. However, the impact of hyperglycaemia on periodontitis is unclear. In the present study, we investigated the effects of high glucose levels on the response to P. gingivalis infection.Results The expression of P. gingivalis-induced interleukin-1β (IL-1β) and inflammasomes increased with increasing glucose concentration. High glucose conditions suppressed P. gingivalis–induced autophagy in human acute monocytic leukaemia cell line (THP-1) macrophages. Zingerone increased autophagy and alleviated P. gingivalis-induced inflammatory response in THP-1 macrophages under high glucose conditions. In addition, alveolar bone loss due to P. gingivalis infection was significantly higher in diabetic mice than in wild-type mice. P. gingivalis-induced inflammation in bone marrow-derived macrophages of diabetic mice was increased; however, it was decreased by zingerone treatment.Conclusions High-glucose conditions aggravated the inflammatory response to P. gingivalis infection through the suppression of autophagy, suggesting that autophagy induction could potentially be used to treat periodontitis in diabetes.
Nimbolide as a natural fungicide against Black Mold disease of Allium cepa: A molecular docking and simulation-based study
Authors: Dangwal Pranshu , Juyal Saransh , Bhatt Arun , Pathak Rajesh Kumar , Baunthiyal Mamta , Ojha Ravindra
Published: June 2024

Black mold disease provoked by Aspergillus niger is one of the major postharvest diseases in Allium cepa. In the present study, efforts have been made to model the polygalacturonase protein of Aspergillus niger that is involved in disease progression as a promising molecular target for the identification of novel fungicides through computational approach. We used I-TASSER to determine the 3D structure of the target protein and docked it with naturally occurring phytoalexins which included nimbolide, nimbolin, Azadiradione, Quercetin and Azadirone. The result of present study revealed that nimbolide has the greatest affinity towards polygalacturonase as compared to other phytoalexins which binds the protein at amino acid residues Gln205, Gln261, Tyr262 with four hydrogen bonds and − 8.0 kcal/mol binding energy. Further, molecular dynamics simulation of protein and docked nimbolide-polyglacturonase complex was carried out to validate the stability of the system at the atomic level. Based on the study, this may lead to inhibition of pathogenic protein. Thus, it is of interest to consider the molecule for further validation at lab and field conditions for ensuring food and nutritional security.
Model for Estimation of Ultimate Strengthof Connections Made With Gfrp Bars in Wooden Structures
Authors: Penteado Lucas Dellosso , Christoforo André Luis
Published: June 2024

The combination of wood with current technologies allows the use of this material in large structures, both in the idealization of modern projects and in the development of structural projects. Large structures require structural elements with large transversal extensions generating connections between the elements. Therefore, connections have become an important and common element when wood is used as a structural element. The aim of article analyzed the behavior of a wooden structure connection numerically when replacing traditional metallic connectors with connectors made from Glass Fiber Reinforced Polymer (GFRP) bars. A numerical simulation was carried out, with the purpose of calibrating a numerical model based on the results obtained in connection tests, using the ABAQUS software. After a parametric study varying the following characteristics of the connections: (a) Diameter of the GFRP pins, (b) Number of pins, (c) Geometric characteristics of the connection and (d) Wood species. The parametric study results in a multiple variable regression model to estimate the ultimate strength in connections, which presents a Correlation Coefficient (R²) of 75.64%. The proposed model was compared with the accuracy of the Johansen model and it was obtained that the Johansen model overestimates the rupture force values by up to 56% when compared with the values found by the proposed model. This situation is justified because the proposed model by Johansen overestimates the values of ultimate force in favor of safety.
Surgical challenges in performing thyroidectomy on huge multinodular goiters in limited resource settings. Case Series, ideal management protocols, Review of literature and pictorial presentation
Authors: Shabhay Ahmed Ali , Shabhay Zarina Ali , Mwami Amri Salim , Ngwira Jonathan Joseph , Kiguru Shabani Ally , Massaga Fabian Anaclet , Katema Paul Simon , Ndyamkama Domician Sospeter
Published: June 2024

Thyroidectomy is a safe procedure when performed by competent well-trained surgeon in ideal settings. However not all centers have settings that adhere to recommended standard preoperative, intraoperative, and postoperative well laid guidelines. Surgeons in such settings must improvise ingenious methods to comply to recommended guidelines. Patients in resource limited settings present late with huge benign or malignant multinodular goiters with limited preoperative investigative modalities due to financial constraints. These settings create logistical challenges for the attending surgeons in such settings. Thyroidectomy also carries a high legal ramification potential due to its high complication potential index from its anatomical proximity of potential lethal or life changing complications by iatrogenic injury to adjacent structures such as Recurrent Laryngeal Nerve, parathyroid glands, or the large caliber blood vessels. It is the authors intention to highlight these logistical challenges and not recommend or advocate the practice in such settings to be adopted as the standard of care.
Connecting the Local Vertical Data in South America to the IHRF
Authors: Guimarães Gabriel do Nascimento , de Matos Ana Cristina Oliveira Cancoro , Blitzkow Denizar
Published: June 2024

Since 2015, the scientific community has been working on unifying the global vertical datum, following the resolution for the definition and realization of an International Height Reference System. One of the main goals of the task is to determine the vertical offset between the local vertical datum and the global one. This paper aims to estimate the vertical offset in seven countries (Argentina, Brazil, Chile, Colombia, Ecuador, Venezuela, and Uruguay) in South America. For this purpose, geoid (and quasi-geoid) models were computed based on the Geodetic Boundary Value Problem Solution. The technique of removing and restoring the gravity field’s long wavelengths was applied. Terrestrial gravity data and satellite gravity anomalies (in the ocean) were combined with a global geopotential model and a digital terrain model to estimate the geopotential values and compute geoid undulations. GNSS/leveling data were used to infer the geoid (quasi-geoid) models and four global geopotential models. Regarding the vertical offset, GNSS/leveling data and the geoid undulations were used in the computation. A parametric model was used to minimize random and systematic errors in the calculation process. The resultsshowed that the vertical offset varies from 0.293 m (Talcahuano tide gauge - Chile) to 1.689 m (Santana tide gauge - Brazil).
Studing the influence of the design of an antiparallel pair of diodes with a Schottky barrier on the conversion loss of a 3-mm harmonic mixer
Authors:   Tomsk State University (TSU), Bilinskiy Kirill V. , Emelyanov Evgeniy V. ,   Tomsk State University (TSU), Sbrodov Alexei V. ,   Tomsk State University (TSU)
Published: June 2024

This paper presents the design and principle of operation of a passive harmonic mixer in the 3-mm range (75-110 GHz), the active element of which is an antiparallel pair of Schottky barrier diodes (SBD). A theoretical analysis of the mixer operation was carried out. A technique for measuring conversion losses using a vector network analyzer is presented. The experimental results of a study of the dependence of the conversion losses of a harmonic mixer on the design of an antiparallel pair of DBSs are presented. The variable parameters of the antiparallel pair of diodes were the distance between the anode leads, the length of the anode lead and the diameter of the Schottky barrier contact. The dynamic range of the mixer is investigated.
Comparison of fuzzy logic systems based on triangular and trapezoidal membership functions
Authors:   Tomsk State University of Control systems and Radioelectronics (TUSUR), Ekhlakov Yuriy P. , Saprunov Sergei O. ,   National Research Tomsk State University, Poguda Alexey A. ,   National Research Tomsk State University, Cherkashin Nikita S. ,   National Research Tomsk State University
Published: June 2024

The article is devoted to assessing the efficiency of using triangular and trapezoidal membership functions in fuzzy systems. Two metrics are proposed: execution time of the fuzzy inference algorithm, dispersion of the output value. The results of experiments on testing three fuzzy systems of different architecture complexity are presented: determining the size of a tip for a waiter; forecasting changes in energy consumption in the production system; driver assistance on the roads.
Algorithm for calculating capacitive and inductive matrices of infinitely thin plates by the partial element equivalent circuit method
Authors:   Tomsk State University of Control Systems and Radioelectronics (TUSUR, Chebanov Victor S. , Komnatnov Maxim E. ,   Tomsk State University of Control Systems and Radioelectronics (TUSUR, Kuksenko Sergei P. ,   Tomsk State University of Control Systems and Radioelectronics (TUSUR
Published: June 2024

An algorithm for computing capacitive and inductive matrices of infinitely thin plates by the partial element equivalent circuit (PEEC) method is developed. The special features of calculating the matrices of two and three air-filled infinitely thin plates models are described. The algorithm is verified with the help of ANSYS and TALGAT programs, as well as data from open sources.
Peculiarities of fully connected neural network design for estimating the lipophilicity of organic compounds
Authors:   Tomsk Polytechnic University, Piakillia Boris I. , Goncharov Valery I. ,   Tomsk Polytechnic University
Published: June 2024

The assessment of lipophilicity of small organic compounds plays a crucial role in the development and optimization of new drugs. Unfortunately, experimental methods require significant time and resources, including the use of laboratory equipment and reagents. Additionally, manual verification and data adjustment often increase the process's labor intensity. In contrast, computational methods like machine learning offer faster and less resource-intensive ways to assess lipophilicity, allowing for efficient processing of large data volumes and adaptation to complex relationships between molecular structure and lipophilicity. Developing neural network models for lipophilicity assessment is challenging due to insufficient experimental data and high computational costs with graph neural network models. This work presents an analysis of popular methods for describing chemical structures for building fully connected neural network models, less demanding in training data volume. Based on this analysis, features best describing organic compounds from an open lipophilicity dataset collected from the ChEMBL database are selected. The search for the optimal neural network model architecture for the chosen features is conducted.
Non-invertible symmetries and LSM-type constraints on a tensor product Hilbert space
Authors: Seiberg Nathan , Seifnashri Sahand , Shao Shu-Heng
Published: June 2024

We discuss the exact non-invertible Kramers-Wannier symmetry of 1+1d lattice models on a tensor product Hilbert space of qubits. This symmetry is associated with a topological defect and a conserved operator, and the latter can be presented as a matrix product operator. Importantly, unlike its continuum counterpart, the symmetry algebra involves lattice translations. Consequently, it is not described by a fusion category. In the presence of this defect, the symmetry algebra involving parity/time-reversal is realized projectively, which is reminiscent of an anomaly. Different Hamiltonians with the same lattice non-invertible symmetry can flow in their continuum limits to infinitely many different fusion categories (with different Frobenius-Schur indicators), including, as a special case, the Ising CFT. The non-invertible symmetry leads to a constraint similar to that of Lieb-Schultz-Mattis, implying that the system cannot have a unique gapped ground state. It is either in a gapless phase or in a gapped phase with three (or a multiple of three) ground states, associated with the spontaneous breaking of the lattice non-invertible symmetry.
Role of key demographic factors in consumer aspirations and luxury brand preference
Authors: Naaz Ishrat , Malik Azam , Abdullah Mohd , I. Tabash Mosab , Elsantil Yasmeen
Published: June 2024

The desires of consumers as individuals are largely shaped by their aspirations in life, which play a crucial role in deciding their brand preference, but very few studies have focused on the demographic difference in aspirations and its relationship with brand preference, especially in the context of luxury brands, for the consumers in the emerging markets. This paper aims to empirically assess the role of key demographic factors (gender, age, and income) in influencing the aspirations of consumers in India, an emerging market, and their preference for luxury branded products. The hypotheses were developed based on the review of the extant literature and tested through t-test and ANOVA along with the moderation test using PROCESS extension in SPSS 22.0. The study included data collected from 915 Indian consumers, in Tier-1 and Tier-2 cities, with prior experience of buying luxury branded products in the fashion segment through a self-administered questionnaire. The results demonstrate that the aspirations, both intrinsic (F = 8.185; p = 0.004) and extrinsic (F = 7.14; p = 0.007) and luxury brand preferences (F = 5.762; p = 0.017) of males and females differ significantly. However, demographic factors of gender (R2 = 0.137; p > 0.05), age (R2 = 0.130; p > 0.05), and income (R2 = 0.132; p > 0.05) were not found to have any moderating effect on the relationship between luxury brand preference and aspirations. The results of the study would help luxury brand marketers to develop their strategic plans for marketing activities by providing insights into the differences in the desires and preferences of their customers.
Cuerpos frágiles en movimiento: Desplazamiento interno forzado en el noroeste de México
Authors: Montero Carlos Emilio Ibarra
Published: June 2024

El presente trabajo de investigación propone elabora un análisis respecto a las condiciones políticas, económicas y sociales en las que se ven involucradas las familias que se desplazan de las zonas rurales (zonas de conflicto) hacia las ciudades en las que buscan abrigo y refugio de la violencia. Presentamos cifras actualizadas del desplazamiento a nivel internacional, nacional y regional, además, elaboramos un mapeamento inédito de los desplazamientos recientes del estado de Chihuahua y Sinaloa. La metodología que implementamos es la transdisciplinar. Como herramientas de recolección y análisis de datos hicimos uso de las historias de vida y el análisis del discurso. Consideramos que haciendo uso de esa ruta metodológica podemos mostrar a las y los lectores, detalladamente, las vivencias de los seres humanos que se encuentran inmersos en el fenómeno del desplazamiento interno forzado en el noroeste de México.
Removal of river water turbidity and total dissolved solids using natural coagulants derived from banana peel and Moringa stenopetala seed
Authors: Lemma Mehiretu , Kalsido Adane Woldemedhin , Wamolo Wotee Mohammed
Published: June 2024

In this study, natural coagulants obtained from banana peel and Moringa stenopetala seed were applied to remove total dissolved solids (TDS) and turbidity from river water. Central composite design (CCD) method was applied for the operating conditions of pH (3–10), coagulant dosage (0.3–1 g/L), stirring speed (30–90 rpm), and settling time (20–60 min). The optimum conditions obtained from the numerical optimization for pH, coagulant dosage, stirring speed, and settling time were 8.52, 1.000 g/L, 33.58 rpm, and 37.92 min, respectively, with a desirability value of 0.883 when banana peel powder was used as a natural coagulant. Under those optimum conditions, the experimental results for banana peel showed 81.32 and 93.09%, removal efficiency for TDS and turbidity, respectively. Similarly, the optimum conditions obtained from numerical optimization for pH, coagulant dosage, stirring speed, and settling time were 9.99, 0.999 g/L, 30.0 rpm, and 39.96 min, respectively, with a desirability value of 0.963. Under these optimum conditions for M. stenopetala seed powder, the experimental results showed 83.64 and 95.13%, removal efficiency for TDS and turbidity, respectively. Overall, M. stenopetala seed powder shows a higher potential for TDS and turbidity removal efficiency than banana peel powder.
The application of satellite sensors, current state of utilization, and sources of remote sensing dataset in hydrology for water resource management
Authors: Abegeja Daniel
Published: June 2024

Hydrologists rely heavily on satellite sensors because they provide useful information for tracking, evaluating, managing water resources, aiding provision of safe drinking water, help preventing waterborne diseases, and address the challenges posed by climate change. Water conservation and the collection of hydrologic data have made remote sensing (RS) an invaluable tool. As a result, there are fewer hydrologic stations globally in terms of space because of various topography landforms, human limitations, and financial limits. A thorough examination of the RS satellite products' hydrological applications is essential to finding a solution to this issue. By doing this, academicians, researchers, and conservationists in various professions can better understand the products and obtain the data needed for conservation. This paper primarily focuses on the following two objectives: 1). To synthesize the scientific information on satellite remote sensing application for hydrology, and 2). To explain the RS dataset sources for hydrologic parameters. Extensive literature search from reputable journal publishers. This review article synthesized vital sources of information for academicians, researchers, and government agencies involved in hydrology and water resources management. It is recommended that RS can be used as a data source for scarce, sparsely gauged, and inaccessible regions.
Study on river channel rainwater and flood resources utilization
Authors: Zhou Yu , Zhang Lili , Zhang Yaowen , Yao Yunsheng , Dai Yiming , Wang Qixin
Published: June 2024

In arid regions, the optimal utilization of river channels to collect rainwater resources can effectively alleviate the problem of water scarcity. This paper employs visual MODFLOW software to simulate the infiltration volume of rainwater under different schemes, with the objective of identifying the optimal infiltration volume. The results indicate that the infiltration volume of rainwater is 0.6, 79.7, 36.5, 62, and 10,000 m3 under different design schemes. COMSOL software is employed to simulate the infiltration situation of rainwater under different schemes, and the scheme with the most favourable infiltration effect is identified. The simulation results indicate that scenarios 2, 4, and 5 demonstrate superior early-stage infiltration performance. Ultimately, the optimal infiltration scheme is selected by integrating the infiltration volume, infiltration effect, construction, economic, and ecological factors to achieve the objective of enhancing rainwater harvesting and utilization. This study offers effective and reasonable measures for addressing the challenge of water resources management in arid regions. It provides suitable reference schemes for river channel rainwater storage projects and offers innovative approaches to rainwater resource utilization, thereby contributing to the alleviation of water scarcity in arid areas.
Effects of membrane content, feed phase, and stripping phase for palladium solution extraction by using a polymer inclusion membrane
Authors: Keskin Başak , Teber Oğuz Orhun , Zeytuncu Bihter , Koyuncu Ismail
Published: June 2024

Palladium is now frequently utilized in fuel cells, electroplating, electronics, and catalysis. Due to their rarity and high cost, precious metal recovery has taken on a significant role. The extraction method frequently utilized in polymer inclusion membranes (PIMs) is both efficient and simple since it has been demonstrated that precious metal adsorption on the membrane significantly controls the mechanism of chemical adsorption. In this study, polyvinyl chloride (PVC) as a polymer, A336 as a plasticizer, and trioctylamine (TOA) as a carrier were used to produce a PIM by evaporation. After the production of PIMs, palladium extract was studied. The stripping phase, palladium concentration in the feed phase, and components of the membrane were changed to determine the optimum condition with better extraction ability. When 0.5 M of HCl was used, higher kinetic parameter results and higher than 85% extraction efficiency were achieved compared to other concen- trations. When the EDX results were examined, 3.3% palladium was retained on the membrane surface. When the palladium concentration was selected at 2.5 ppm, higher kinetic parameters were observed, and the extraction efficiency was over 90%. The best membrane was the PIM containing 40% PVC–40% A336–20% TOA.
Vidas provisórias: identidade, nacionalismo, desterritorialização e diáspora
Authors: Ferreira Martins Ricardo André , Brito Luciana , Aparecido Ribeiro Rondinele
Published: June 2024

Este artigo tem por objetivo analisar a personagem Barbara do romance Vidas provisórias, publicado por Edney Silvestre em 2013, a partir da discussão teórica da construção de identidade e de um dos mais importantes desdobramentos da identidade que é o nacionalismo, o sentimento de pertença a um determinado espaço geográfico. A base teórica organiza-se em discussões perpetradas por Hall (2006 e 2013), Bauman (2001), Kristeva (1994), Anderson (2008), Deleuze e Guattari (1995) e Todorov (1983). Também foram utilizados teóricos dedicados ao estudo de personagem e à literatura brasileira contemporânea. Barbara, no início dos anos 90, deixa o Brasil rumo aos Estados Unidos, onde passa a viver como imigrante ilegal. A adolescente, que não fala inglês, sobrevive fazendo faxina e, nas horas vagas, trabalha como manicure. Em terras estrangeiras, a personagem convive com a terrível sensação de não pertencimento, sentindo-se perdida e pequena em um mundo vasto e desconhecido.
Emulação e integração na construção de sentidos: uma análise cognitiva do conto "Continuidad de los Parques" de Julio Cortázar
Authors: Duque Paulo Henrique , De Santana Batista Tulio
Published: June 2024

Este estudo explora a interseção entre o uso prático da linguagem e os processos mentais envolvidos na aquisição e uso do conhecimento, com foco na literatura fantástica. Através da análise do conto Continuidad de los Parques, de Julio Cortázar, o estudo investiga como a linguagem molda nossa cognição e organiza nossas experiências perceptomotoras. O estudo identifica três processos cognitivos principais ativados durante a leitura: evocação, integração e emulação. A evocação é o processo pelo qual certos conceitos ou domínios são trazidos à mente do leitor por meio de pistas linguísticas no texto. A integração é o processo de combinação de esquemas cognitivos na formação de esquemas complexos que suportam a emulação de frames. Finalmente, a emulação é a construção de enquadramentos a partir da base topológica dos esquemas. Os resultados deste estudo sugerem que a linguagem, ao configurar universos narrativos que desafiam e engajam a cognição do leitor, atua efetivamente como uma ferramenta de modelagem mental. Esta capacidade da linguagem de moldar a percepção e o pensamento abre novas perspectivas para a compreensão da dinâmica interativa entre linguagem e processos cognitivos, enfatizando seu papel vital na construção de experiências de leitura profundamente envolventes e cognitivamente estimulantes.
Fenomenologia da percepção em Orides Fontela: voos desassossegados por uma poesia filosofante
Authors: Lima Beserra Eduardo , Magalhães de Medeiros Ana Clara , Pimentel Teixeira Renata
Published: June 2024

O propósito deste texto é observar como a fenomenologia da percepção, perspectiva filosófica instaurada em meados do século XX, emerge na poesia da brasileira Orides Fontela cuja obra ressona ostensiva e extensivamente nos campos da filosofia. A fim de alcançarmos determinado ensejo, tomamos como orientação teórica os estudos de Merleau-Ponty (1999; 2004), que refletem a respeito da experiência fenomênica do sujeito com o mundo e as relações que ele, mediante a percepção, estabelece com os demais elementos os quais constituem o cosmos. Para além do filósofo citado, levamos em conta as ponderações de estudiosos que seguem o pensamento fenomenológico, como Chauí (1980) e Eric Matthews (2010), além de críticos da pouco reconhecida autora paulista. Os poemas selecionados para este escrito são “Diálogo”, “Gênesis”, “Sensação”, “Elegia (I)”, “Migração”, “Habitat” e “O antipássaro”. Os textos elegem um objeto-outro, na sua maioria o pássaro, estabelecido como ponto de contemplação para a virada da experiência (sensorial e filosófica). Analisando uma poesia que revela o ser em estado de vacilo perante o espanto da existência, sobrevoamos a desassossegada condição humana.
Reparar a Comunicação. Despatriarcalizar, Descolonizar e Ecologizar a Cultura Mediática
Authors: Cabecinhas Rosa
Published: June 2024

Recensão de Comunicación Radical. Despatriarcalizar, Decolonizar y Ecologizar la Cultura Mediática (2022).
Piecza zastępcza w świetle Karty Praw Rodziny i innych wybranych dokumentów: polskie inicjatywy i rozwiązania
Authors: Krajewska Beata
Published: June 2024

Nieustannie zachodzi konieczność otaczania dzieci pieczą zastępczą w różnych jej formach, rodzinnych i instytucjonalnych. Sytuacje, gdy rodzice naturalni nie chcą lub nie mogą sprawować pieczy nad swoimi dziećmi, wykazują tendencję wzrostową. Problematyka pieczy zastępczej powinna być znana społeczeństwu i być przedmiotem eksploracji badawczych. Niniejszy artykuł wpisuje się w potrzebny i podejmowany dyskurs o pieczy zastępczej. Główną osią rozważań są założenia w zakresie pieczy zastępczej ujęte w Karcie Praw Rodziny. W syntetyczny sposób przedstawione zostały podmioty i zasady pieczy zastępczej, a szerzej opisane założenia w zakresie pieczy zastępczej znajdujące się w innych dokumentach prawnych tak międzynarodowych, jak i polskich, w kontekście postulatu wyrażonego w Karcie Praw Rodziny, jakim jest przyjęcie odpowiednich rozwiązań odnośnie do pieczy zastępczej oraz poszanowania praw naturalnych rodziców. W przygotowaniu artykułu zastosowana została metoda analizy wybranych dokumentów z zakresu prawa oraz literatury przedmiotu, jak również metoda syntezy treści oraz metoda historyczna