bluuebunny/crossref_metadata_2025_split huggingface dataset:
Analyzing the QSPR study of odorant molecules in pectin gel using degree based topological indices
Authors: Arumugam Divya , Devasenan S. , Senthilnathan G. 
Published: November 2023

Abstract
This research delves into the intricate exploration of degree-based topological indices pertaining to odorant molecules encapsulated within a pectin gel matrix. Topological indices, sophisticated mathematical descriptors emanating from the realm of molecular graph theory, offer profound insights into the structural and physicochemical attributes of chemical entities. In this particular discourse, our focal point is the odorant molecules, quintessential constituents in the domain of flavor and fragrance, intricately embedded within a matrix of pectin gel. To delineate the structural nuances of these odorant molecules, we employ an array of degree-based topological indices encompassing the Randić index, Zagreb indices, and Atom-Bond Connectivity (ABC) index. Subsequently, we establish correlations between these indices and the behavior exhibited by the odorant molecules within the pectin gel using simple linear regression models. These models furnish a quantitative comprehension of these interrelationships and proffer predictive capabilities for forthcoming research endeavors. This investigation unveils novel perspectives on how molecular architecture influences odorant release and perception, thereby holding potential ramifications in diverse sectors such as food science and perfumery. Our research uncovers intriguing interconnections between these parameters and the odorant molecules, thereby contributing to the existing body of knowledge in this field. Here we used to compute the results with python.
Arsenic-contaminated sludge remediation induced generation of coloured glass using conventional and microwave heating
Authors: Das Biplab , Ghosh Sourja , Majumder Swachchha , Mandal Ashis Kumar 
Published: November 2023

Abstract
The present work incorporates toxic arsenic-contaminated sludge (AsCS) obtained from groundwater filtration into a chemically durable borosilicate glass matrix to overcome the environmental exposure's arsenic (As) toxicity. Upto 25 wt% of AsCS loaded borosilicate system found X-ray amorphous that ensures the successful glass formation. The optical absorption spectra reveal the utilization of AsCS to develop heat absorption property (NIR absorption ~ 1000 nm) into the borosilicate matrix. 3–5 wt% of AsCS was found suitable for developing a green colour glass for various purposes. Furthermore, green colour in glass can be turned yellow with the adoption of novel microwave heating (MW), which reduces energy demand. From a structural viewpoint, the presence of tetrahedral boron (B4) and tetrahedral Fe3+ within the silicate glassy network collectively help to maintain a low thermal expansion coefficient (CTE) and higher characteristic thermal properties (Tg, Td, etc.)Further, the structural integration of iron (major component in AsCS) as bridging network helps to maintain the thermal and chemical durability of the system. Significantly lower leaching rate (7.47 *10− 7 g.cm− 2.h− 1in 42 days) followed by a successful immobilization of toxic As, the glass becomes an alternative and most attractive material for AsCS immobilizing material.
Impact of TLS Overhead with Forward Secrecy on Segmented Network for Multiple Cloud Database Systems
Authors: Kurmi Jitendra , Kannojia Suresh Prasad 
Published: November 2023

Abstract
Cloud database serves flexible, affordable, and versatile database frameworks. Indeed, even the cloud database is secure with Transport Layer Security (TLS). However, the performance overhead that TLS presents while executing procedures on the five major No SQL databases: Mongo DB, Apache Cassandra DB, Amazon Dynamo DB, Redis DB, and Couch DB regarding dormancy. We proposed a Multiple Replica Database Architecture (MRD-ARC) to investigate TLS execution overhead with forward secrecy for five NoSql databases, we performed two tests mimicking average database utilization designs with TLS cipher suite ECDHE-prime256v1. We examined connection pooling, where an application involves a solitary connection for some databases activities. Then, we considered one request for each connection. An application opens a connection, executes an interaction, and quickly shuts the connection in the wake of finishing the activity based on read-only throughput, read-only response, and connection throughput. Our experimental result shows that applications that cannot persevere through tremendous overhead execution should be sent inside an appropriately portioned network instead of empowering TLS with forward secrecy. Applications utilizing TLS should utilize a connection pool instead of a connection for each request. We also compare the TLS overhead with forward secrecy in terms of latency of five databases and found that Mongo DB is the best cloud database system with less overhead.
Understanding the effects of mammalian sex hormones in the in vitro regeneration of Chickpea (Cicer arietinum L.) using machine learning techniques
Authors: Haliloğlu Kamil , Turkoglu Aras , Pour-Aboughadareh Alireza , Işık Muhammet İslam , Demirel Fatih , Bujak Henryk , Aydin Murat , Elkoca Erdal , Bocianowski Jan , Nowosad Kamila 
Published: November 2023

Abstract
The purpose of this study was to determine the effect of certain mammalian sex hormones (MSH) as an alternative to synthetic hormones in chickpea (Cicer arietinum L.) tissue culture using mathematical models. In this research four different types of explants, including embryo, hypocotyl, plumule and radicle, were treated with four different concentrations (0, 0.1, 0.001 and 0.00001 µM) of four mammalian sex hormones (17β-estradiol, estrogen, progesterone and testosterone). It was found that different explants, MSH and their concentrations had a significant effect on the formation of morphogenesis. The type of explant significantly affected shoot and root formation, and the effect of MSH concentration on root formation. Based on the results of the study, it was concluded that it would be expedient to use plumula as a source of explants in chickpea tissue culture. As a result, the use of 0.001 µM progesterone showed positive effects in chickpea in vitro culture medium. The XGBoost model outperformed in predicting all variables based on high R-squared values, low mean square error, and mean absolute deviation. Sensitivity analysis within the XGBoost model revealed that plumule was the most influential variable for predicting the number of explants undergoing morphogenesis (40.29%) and the number of shoots–forming explants (33.83%), while concentration 0.001 µM played a significant role in determining the number of roots–forming explants (47.49%). Consequently, it was shown that mammalian sex hormones have the potential for use in the in vitro cultivation of chickpeas. Additionally, the utilization of the XGBoost model was found to be effective in forecasting outcomes and facilitating optimization in this context.
F5332SFLFST_YOLOv5s:an improved lightweight aerial photography small target detection algorithm based on YOLOv5s
Authors: Jia Bin , Ao Naixiang , Wang Xinyi , Guo Rui , Zhao Xueyi , Xiong Bingbing , Cai Wenna 
Published: November 2023

Abstract
To address challenges in detecting small targets from aerial imagery and deploying models on edge devices for real-time detection, we propose the lightweight improvement, F5332SFLFST_YOLOv5s, based on YOLOv5s. The algorithm leverages the latest FasterNet network as an image feature extractor to enhance detection efficiency by reducing computational complexity. The native "1-2-8-2" structure is replaced with the explored "5-3-3-2" Backbone structure, incorporating more basic blocks early to extract shallow feature information. Streamlining the parameter passing of the FasterNet network further enhances the Backbone network's performance. By embracing the lightweight concept of FasterNet, a FasterC3 module is introduced at the end of the Backbone network to acquire more substantial high-level semantic information.additionally, combining the large selective kernel network, LSKNet, with the bottleneck structure simulates various ranging contexts in remote sensing scenarios by dynamically adjusting the spatial receptive field, thereby improving detection accuracy and efficiency within limited computational and memory resources. The Focal-αEIoU1.5 loss function is proposed, replacing the original CIoU loss function, adaptively improving IoU object loss and bbox regression accuracy through Power transform. Soft-NMS(Non-maximum suppression) is introduced as a substitute for traditional NMS, addressing information loss issues caused by the direct discarding of overlapping frames. Lastly, a three-level feature fusion structure, TriNeck, fuses neighboring shallow feature layers in the Backbone, obtaining more accurate shallow location features for precise target localization.experimental results on the VisDrone 2019 dataset show that compared to the YOLOv5s benchmark, our optimized lightweight model improves inference speed by 3%, with a 37.3% reduction in model parameters and a 37.5% reduction in computational load. Additionally, mAP@0.5 and mAP@0.5:0.95 increase by 13.5% and 43.0%, respectively, indicating significant potential for real-time detection deployment on edge devices.
The proteolytic cleavage of TLR8 Z-loop by furin protease - molecular recognition, reaction mechanism and role of water molecules
Authors: Bzówka Maria , Szleper Katarzyna , Stańczak Agnieszka , Borowski Tomasz , Góra Artur 
Published: November 2023

Abstract
Understanding the mechanisms underlying the immune response is crucial for advancing our knowledge of an organism’s defence. One such mechanism is the proteolytic cleavage of the Z-loop in some members of the Toll-like receptor (TLR) family. This process is essential for several reasons: it allows proper receptor dimerisation, facilitates its activation, and introduces a control mechanism by preventing inappropriate or excessive immune reactions.
In our study, we focused on investigating the proteolytic cleavage of TLR8 by furin protease, for which the mechanism of this process has not been widely investigated. We employed various computational methods not only to propose the reaction pathway but also to explore the role of water molecules within the reaction site. Those included AI-based structure prediction, molecular dynamics simulations, quantum mechanics and quantum mechanics/molecular mechanics calculations, as well as small-molecule tracking combined with local-distribution methods.
Green Synthesis of Silver Nanoparticles From Pineapple (Ananas Comosus) Peel Extract: Physical-chemical Characterization and in Vitro Biological Activities
Authors: Azevedo Márcia Mourão Ramos , Bressan Cléo Rodrigo , Ferreira Lorena Pereira , Torres Carla Beatriz dos Santos , Oliveira Yan Vitor Silva , Nakazato Gerson , Souza Lucas Marcelino dos Santos , Lima Alan Kelbis Oliveira , Garcia Mônica Pereira , Gul Kashif , Taube Paulo Sérgio 
Published: November 2023

Abstract
The objective of this work was to synthesize, characterize and evaluate silver nanoparticles (AgNPs) obtained from the aqueous extract of pineapple peel. After optimizing the synthesis of AgNPs, colloidal solutions of AgNPs showed maximum absorbance around 460 nm. The AgNPs in the final concentration of 1, 3 and 5 mmol L-1 showed average values of Z-average of 142.3, 127.0, 135.6 and, 153.2, 117.0 131.8 synthesized by water bath and ultrasound, respectively. Regarding PdI, all AgNPs showed low to moderate polydispersity. Zeta potential values ranged from -21.4 to -10.1. Images obtained by TEM for AgNPs prepared both by the water bath method and by the ultrasound method show particles with predominantly spherical morphologies, smooth and irregular edges. The synthesized AgNPs showed higher concentrations of total phenolic compounds (159.92 to 326.9 mg AG 100 g-1) when compared to the aqueous extract of pineapple peel (132.0 mg AG 100 g-1). The pineapple peel extract showed a higher ABTS radical inhibition value (88.16%) in relation to the value referring to AgNPs (19.11% to 77.90%). By the iron reduction method (FRAP), it was verified that the ability of AgNPs to reduce Fe3+ to Fe2+ was greater (4.49 to 6.83 mM of FeSO4 for 10% solution) than that of the aqueous extract of the bark of pineapple (3.72 mM FeSO4 for 10% solution). The AgNPs synthesized from the aqueous extract of pineapple peel were effective against Gram-negative bacteria E. coli and Pseudomonas aeruginosa and against Gram-positive bacteria S. aureus. The MIC varied between 2.6 and 21.25 mg.mL-1 for Gram-negative bacteria and from 21.25 to 42.25 mg.mL-1 for Gram-positive bacteria, pointing to Gram-negative bacteria as being the bacteria more susceptible to inhibitory and bactericidal actions after exposure to AgNPs. The results of the present study infer that the AgNPs obtained by water bath or ultrasound, regardless of the concentration, showed significant cytotoxic activity when tested in human breast cancer cells of the MCF-7 lineage and B16F10 murine melanoma cancer cells. IC50 values were similar for AgNPs obtained from different energy sources (water bath or ultrasound), but with the same AgNO3 concentration, indicating that there is no difference between using AgNPs obtained by water bath or ultrasound. These results suggest that the AgNPs synthesized from the aqueous extract of pineapple peel have potential and can be used in several areas, mainly in biomedical applications.
In-silico classification and antigen library expression of Plasmodium falciparum STEVOR hypervariable infected erythrocyte surface-expressed multivariant protein family
Authors: Vasileva Hristina , Benavente Ernest Diez , Last Anna , Tetteh Kevin KA 
Published: November 2023

Abstract
Background
Malaria pathogenesis is dependent on complex interactions between host and parasite factors, where variant surface antigens such as the PfEMP1 protein family play a critical role in disease severity through various mechanisms, including immune evasion, cytoadherence and sequestration. The under characterised infected erythrocytes variant surface-expressed antigens of the STEVOR protein family are also implicated in cytoadherence and rosette formation exhibiting high antigenic variability, potentially contributing to parasite immune evasion. This study describes a novel approach for the construction of a comprehensive library of STEVOR recombinant antigens.
Methods
This study used all available STEVOR protein sequence data from the PlasmoDB database to classify the variability between STEVOR members within isolates and between isolates. We have used bioinformatic and mathematical approaches to design an in-silico model to study the protein family variability with 100% reproducibility when performed on the same data set. Using information from the model, we have designed constructs and have expressed them with the CyDisCo co-expression plasmid to create the first STEVOR recombinant antigen library in a competent E. coli expression system. Finally, we have proven the recombinants antigenicity using the multiplex magnetic bead-based assay: Luminex.
Results
The large hypervariable domain of STEVOR protein family exhibited the highest variability with a mean diversity of 52.1%, as compared to the semi-conserved and the conserved STEVOR domains. The variability was captured in a library of 13 representative sequences, mostly derived from West African isolates. Those variants were expressed as recombinant proteins in BL21(DE3) E. coli competent cells together with the CyDisCo co-expression plasmid. The recombinants varied in expression levels, but not in antigenicity. Three semi-conserved recombinant antigens were also expressed as controls and those although with smaller size, demonstrated higher reactivity as compared to the variable domain recombinants.
Conclusions
This study presents an in-silico model that effectively elucidates the spatial relationship between amino acid sequences, applicable to sequence data from any organism. Moreover, it presents the first library of STEVOR hypervariable domain recombinant antigens. Expressed antigens have potential applications in serological studies as indicators of exposure to infection and to further dissect STEVOR variants associated with severe malarial disease outcome.
Can ICT-enabled knowledge acquisition bridge the gap in enhancing the adoption of multipurpose agroforestry tree species (MPTS) in Malawi?
Authors: Haswell Chisomo , Khataza Robertson 
Published: November 2023

Abstract

Low adoption of agroforestry and other sustainable agriculture practices presents a pressing issue for both policy makers and practitioners in Sub-Saharan Africa. The inefficiency of extension advisory services partly contributes to low adoption of these practices in this region. Using survey data collected from Mzimba and Dedza districts in Malawi, this study applies an Ordered Probit model to assess the effect of ICT-enabled knowledge acquisition on the adoption of multipurpose tree species (MPTS). The results show that radio, television and WhatsApp messenger are key ICT-based platforms facilitating MPTS adoption. On the other hand, community-based farmer advisors (CBFAs) are an important form of face-to-face extension approach for promoting the adoption of MPTS. From a gender perspective, the results show that women farmers are more likely to adopt MPTS than their male counterparts. The findings highlight the importance of strengthening ICT-enabled extension advisory services to complement in-person extension services in an era when the number of extension agents is dwindling and the available extension officers are constrained to reach millions of farmers. Additionally, there is a need to scale digital extension services by developing appropriate content suitable for specific digital platforms and the type of agroforestry practices being promoted.
Direct and indirect impacts of urbanization on ecosystem health based on PLS-SEM in Xiangyang, China
Authors: Yao ZHOU 
Published: November 2023

Abstract

This study proposes a framework for investigating the direct and indirect impacts of urbanization on ecosystem health by introducing partial least squares structural equation model (PLS-SEM), the method is then applied to Xiangyang, Hubei Province, China. The validity and reliability evaluation show that PLS-SEM model is reasonable. The results showed that the level of ecosystem health in Xiangyang decreased significantly in 2010–2020. Only spatial urbanization (SU) had a direct impact on ecosystem health (-0.251/-0.262), showing a negative correlation. Population urbanization (PU) had an impact on economic urbanization (EU) (0.687/0.662), and economic urbanization (EU) had an impact on spatial urbanization (SU) (0.634/0.702). Population urbanization (PU) and economic urbanization (EU) have indirect effects on ecosystem health index (EHI). This study provides a quantitative method to determine the causes of the decline in ecosystem health, which is essential for more effective measures to maintain ecosystem health. The two objectives of this study are: (1) To establish a framework for analyzing the impacts of urbanization on ecosystem health; (2) To quantify the direct and indirect impacts and interactions of urbanization on ecosystem health.
Concerning Trends in the Mental Health of Emerging Adults: 2011 to 2022
Authors: Barile John , Meyer Monet , Masuda Akihiko 
Published: November 2023

Abstract
This study examined emerging adults’ health across age cohorts and year of assessment (2011-2022). We found an 82% increase in the number of mentally unhealthy days among emerging adults was observed between 2011 and 2022, with evidence of smaller but increasing rates among adults through mid-life. Minimal changes were observed for emerging adults in the number of physically unhealthy days over the same period. Emerging adults have experienced a drastic increase in the number of mentally unhealthy days over the past decade, while minimal changes in physically unhealthy days for any age group were observed over this same period.
Marriage and couples' well-being in Togo
Authors: DONI Pikabe , EDORH Adanmadogbé Jules , DOTO Agbessi Augustin , NUTSUGAN Ciriaque 
Published: November 2023

Abstract
Marriage is considered in the literature as a means of pooling risks and improving the well-being of couples. Thus, the aim of this article is to analyze the relationship between marriage and the well-being of couples in Togo. To do so, we apply the ordinary least squares (OLS) method. Using data from the Enquête Harmonisée sur les Conditions de Vie des Ménages (EHCVM) Togo 2018. We arrive at the results that, marriage positively affects the well-being of married women under monogamy and polygamy, but the well-being of women in common-law unions decreases. However, our results show that marriage negatively affects the well-being of married men in Togo, regardless of their marital status. Furthermore, we find that marriage is a decreasing function of education level in Togo, but that marriage contributes to improved household well-being in the Togolese context. Our results suggest that the provision of social assistance, such as affordable healthcare or employment assistance programs, could help improve the well-being of married men. Further policy implications are proposed in the light of our results.
JEL codes : J12, D60, D01