bluuebunny/crossref_metadata_2025 huggingface dataset:
Genomic and phenotypic analysis of invasive Streptococcus suis isolated in Spain reveals genetic diversification and associated virulence traits
Authors: uruén Cristina , Fernandez Ana , Arnal Jose Luis , Pozo Mateo del , Amoriieta Maria Casas , de Blas Ignacio , Jurado Paula , calvo Jorge Hugo , Gottschalk Marcelo , González-Vázquez Luis Daniel , Arenas Miguel , Marín Clara M , Arenas Jesús
Published: October 2023

The authors have requested that this preprint be removed from Research Square.
Insights into the DHQ-BN: Mechanical, Electronic, and Optical Properties
Authors: Lima Kleuton Antunes Lopes , de Mendonça Fábio Lúcio Lopes , Giozza William Ferreira , Júnior Rafael Timóteo de Sousa , Junior Luiz Antonio Ribeiro
Published: October 2023

Computational materials research is vital in advancing our understanding of diverse material classes and their properties, contributing valuable insights that aid in forecasting innovative structures and complementing empirical investigations. In this context, DHQ-graphene recently emerged as a stable two-dimensional carbon allotrope composed of decagonal, hexagonal, and quadrilateral carbon rings. Here, we employ density functional theory calculations to investigate its boron nitride counterpart's mechanical, electronic, and optical features (DHQ-BN). Our findings reveal an insulating band gap of 5.11 eV at the HSE06 level and exceptional structural stability supported by phonon calculations and ab initio molecular dynamics simulations. Moreover, DHQ-BN exhibits strong ultraviolet (UV) activity, suggesting its potential as a highly efficient UV light absorber. Its mechanical properties, including Young's modulus (230 GPa) and Poisson's ratio (0.7), provide valuable insights into its mechanical resilience and structural stability. This study underscores DHQ-BN's unique properties and promising role in the BN-based 2D materials landscape.
Comparison of the elemental alterations of solid and hematopoietic tumors in children and adolescents after completion of antitumor therapy
Authors: Savko Sergey A. , Zhukovskaya Elena V. , Karelin Alexandеr F. , Korobeynikova Tatyana V. , Rumyantsev Alexander G. , Skalny Anatoly V.
Published: October 2023

As medical research develops, more and more attention is being focused on the study of elemental alterations in cancer patients, not only as a marker of the disease, but also as a possible complication of the disease. This study aims to investigate changes in the levels of essential and toxic trace elements in patients who completed antitumor therapy for malignant neoplasms. A retrospective study was conducted among children and adolescents aged 4 to 17 years at a single center. A total of 214 patients were enrolled in this study, with an equal distribution of 107 patients in both the remission group after undergoing therapy for hematologic malignancies and the group who completed therapy for solid tumors. The results of the study of hair samples and blood serum showed that the elemental profile of patients after antitumor therapy has both similar patterns and distinctive features depending on the histological type of tumor. Our data demonstrate that patients with solid tumors showed somewhat higher accumulation of toxic metals compared to samples from patients with hematopoietic tumors, and neoplasms of the hematopoietic system are characterized by more pronounced alterations in the composition of essential elements in hair and blood serum. Nevertheless, serious specific alterations in elemental homeostasis depending on the histologic structure have not been reported. The findings obtained highlight the importance of careful monitoring of homeostasis parameters to prevent the development of complications of antitumor therapy associated with elementary homeostasis.
Improved Impressed Current Cathodic Protection PID Control based on a machine learning approach
Authors: Fernández José Arturo Ramírez , Figueroa Henevith Gisell Méndez , Veliz Sebastían Eduardo Ossandón , Martínez Ricardo Galván , Pérez Miguel Ángel Hernández , Cruz Ricardo Orozco
Published: October 2023

An innovative numerical method based on a machine learning approach is presented in order to design an Impressed Current Cathodic Protection (ICCP) control for the corrosion prevention of an ASTM $A36$ steel plate immersed in chlorinated solutions (3. 5\% wt NaCl, Seawater and NS4). Experimental data collected from the metal structure and environment were used to generate the training set for forward and inverse Artificial Neural Networks (ANNs), enabling the numerical model for the development of control strategies that can adapt to changing conditions. Specifically, using the model data provided by the above-mentioned forward and inverse ANNs, we tuned, using a third ANN, a Proportional Integral Derivative (PID) control to achieve better cathodic protection performance. Numerical examples have been implemented considering the evolution of the substrate composed of steel and immersed media.
Enhancing Communication and Comprehension for Individuals with Special Needs through Federated Learning: A Deep Learning Approach
Authors: Elsayed Tharwat , Elrashidy Mohamed , EL-Sayed Ayman , Moustafa Abdullah N.
Published: October 2023

Individuals with special needs most of the time find it harder to identify hazards and dangers as well as circumstances that are socially challenging. Hence, they face the risk of falling victim to abuse and violence. In this paper, the main goal is to help people with special needs to more successfully communicate with others and comprehend their surroundings. Machine learning-based solutions are used to help people with special needs in their communication tasks. The proposed machine learning model contains a convolutional layer, attention layer, and Bidirectional long short-term memory (BiLSTM) layer and achieves 99.00% accuracy performance. We applied federated learning to preserve privacy and to help researchers overcome problems they face when dealing with people with special needs.
Late morning biting behaviour of Anopheles funestus is a risk factor for transmission in schools in Siaya, western Kenya
Authors: Omondi Seline , Kosgei Jackline , Musula George , Muchoki Margaret , Abong’o Bernard , Agumba Silas , Ogwang Caroline , McDermott Daniel P. , Donnelly Martin J. , Staedke Sarah G , Schultz Jonathan , Gutman Julie R. , Gimnig John E. , Ochomo Eric
Published: October 2023

Background: Children in Kenya spend a substantial amount of time at school, including at dawn and dusk when mosquitoes are active. If schools do not have adequate malaria transmission prevention, they can become hotspots for infection. With changing vector behaviour towards early morning biting, it is important to determine whether there is an additional risk of transmission in schools. This study sought to understand whether late morning biting by Anopheles funestus previously documented in households in western Kenya was replicated in schools.
Methods: From the 4th to the 6th of August 2023, human landing collections were conducted hourly in four schools in Alego Usonga sub-County, Siaya County. The collections were conducted in and outside of five classrooms in each school and ran for 16 hours, starting at 18:00 until 11:00 hours the next morning.
Results: Anopheles funestus was the predominant species collected forming 93·2% (N=727) of the entire collection with peak landing between 06:00 and 07:00 hours and continuing until 1100 hours. More than half of the collected An. funestus were either fed or gravid, potentially indicative of multiple bloodmeals within each gonotrophic cycle, and had a sporozoite rate of 2·05%.
Discussion School children spend upto 10 hours of their daytime in schools reporting between 06:00 and 07:00 hrs and staying in school until as late as 17:00 hrs meaning that they receive potentially infectious mosquito bites during the morning hours.
Conclusion: There is a need to consider vector control approaches targeting schools and other peridomestic spaces in the morning hours when An. funestus is active.
Potential Risk Factors Associated with Their Effects Through Classification Algorithms: A Study of Periodontitis on Bangladeshi Garment Sector
Authors: Hossain Md. Sifat , Islam Md. Monirul , Karmokar Provash Kumar
Published: October 2023

Background
Periodontitis is a prevalent oral health condition worldwide, posing a significant challenge that requires early detection and intervention to mitigate its adverse effects. This study specifically focuses on understanding the risk factors associated with periodontitis within the Bangladeshi garment sector. By employing ML models, valuable insights can be gained into the variables that contribute significantly to periodontitis risk, leading to the development of targeted preventive strategies and interventions.
Methods
To achieve the study’s objectives, 12 ML models were selected for analysis, and their variable importance was assessed using 8 of the models. A 2-step CV was utilized, involving a test-train CV with a 75% training dataset, a 25% test dataset, and a repeated 5-fold CV. Random search with a tuning length of 200 was used as a parameter-tuning technique to optimize the performance of the models. For comparative study and best subset model, LR and backward stepwise LR are used with AOR.
Results
Among the ML models, gcvEarth, demonstrated its efficacy in identifying HRFs for periodontitis and its classification accuracy is 0.9577. From the highest accurate models, the HRFs are age, number of healthy teeth, missing teeth, HTN, gender, sleeping time, and brushing frequency. By leveraging ML techniques, policymakers, healthcare professionals, and stakeholders can make informed decisions and develop targeted preventive strategies with interventions to improve oral health outcomes among individuals in this occupational sector.
Conclusions
This study’s findings highlight the potential of ML as a powerful tool for identifying HRFs for periodontitis. The integration of ML models, variable importance analysis using OR and AOR, and CV techniques provides a comprehensive framework for understanding and predicting periodontitis in occupational sectors or populations. Furthermore, optimizing the models through parameter tuning with random search enhances the accuracy and performance of the ML models, leading to the development of effective preventive measures and interventions. Ultimately, these advancements contribute to improved oral health outcomes and overall well-being for the Bangladeshi garment sector as well as for the global aspects.
Self-Neglect in Older Populations: An Evolutionary Concept Analysis
Authors: Zhang Man , Du Yixin , Hai Ziwei , Cai Chunfeng
Published: October 2023

Objective: The objective was to define and develop the concept of elder self-neglect, and to provide a reference for nursing practice.
Methods: A systematic search of relevant literature on elder self-neglect was conducted in Chinese National Knowledge Infrastructure (CNKI), Wanfang database, Chinese Biomedical Literature Database (CBM), PubMed, Web of Science and CINAHL database, and Rodgers' evolutionary concept analysis method was used as the theoretical framework.
Results: A total of 63 articles were included. Elder self-neglect included four defining characteristics: disorderliness, dangerousness, invisibleand enclosed; antecedents included physical, psychological, socio-environmental and other related factors; consequences included effects on the older adults themselves and effects on others and society.
Conclusions: Elder self-neglect has far-reaching implications for individuals and society. By clarifying the conceptual characteristics of elder self-neglect through concept analysis, researchers can conduct more in-depth and comprehensive research on it and promote healthy ageing.
Why catch when you can throw? A framework for tagging animals without capture or restraint
Authors: Wilson Rory , Redcliffe James , Holton Mark , Thomas Victoria , Gunner Richard , Silovski Vaclav , Jezek Milos , English Holly , Shott Olivia , Bambridge Katie , Dee Elliot , Nichols Hazel , Quintana Flavio , Fahlman Andreas , Larsson Josefin , Scantlebury D. Michael , Siebert Ursula
Published: October 2023

Background: The attachment of electronic tags to animals has led to data collection that has hugely enhanced our understanding of wild animal behavioural ecology and physiology. However, animals are normally captured and restrained/sedated so that the tags can be attached, which is stressful for the animals and threatens to compromise the quality of the data gathered, at least during an initial acclimation period. We note that many plant seeds have evolved to become attached to passing animals and suggest that an approach, based on plant burs, could be used to attach tags to animals without capture or restraint.
Methods: We present a framework for ‘bur-tagging’ and provide details of the design of a bur-tagging system, highlighting issues that we feel should be considered for the approach to be successful.
Results: We report how the tagging site in the environment and animal neophobia critically affect the probability that an animal will be tagged over any given time period and also document what needs to be done to ensure that only the target species is tagged as well as illustrating the steps that can be taken to enhance the accuracy of tag placement on the animal. In addition, we discuss the criticality of the choice of the adhesive mechanism between the tag and the animal and illustrate how animals react to being tagged using this system.
Conclusion: Although in an early stage of development, we believe that ‘bur-tagging’ shows great promise for deploying sophisticated electronic tags on wild animals with less stress than the conventional capture and restraint approach.
Factors Associated With Maternal Dissatisfaction towards Spinal Anesthesia among Parturients Give Birth with Cesarean Section at Hawassa University Comprehensive Specialized Hospital, 2023: Cross-Sectional Study
Authors: Yinges Mengistu , Buli Bekele , Abebe Minda
Published: October 2023

Background: Assessing maternal satisfaction with spinal anesthesia is paramount to improve safe anesthesia practice. Hence, we investigated factors associated to decrease maternal satisfaction toward spinal anesthesia among mothers gives birth with receiving cesarean delivery.
Objectives: To assess maternal dissatisfaction and associated factors toward spinal anesthesia among parturients who underwent cesarean delivery at HUCSH from July 6 to August 30, 2022.
Methodology: an institutional-based cross-sectional study was conducted on 360 parturients who underwent cesarean delivery at the HUCSH obstetrics ward and were interviewed using an exit structured questionnaire. Univar ate and multivariate logistic regression analyses were used to identify factors associated with maternal dissatisfaction toward spinal anesthesia. The odd ratio was used to determine the strength of the association between dependent and independent variables. Finally, a p-value of 0.05 or less was considered statistically significant. We defined the satisfied group as those patients who answered "satisfaction" to the question on the 4-point Likert scale.
Results: The overall dissatisfaction with spinal anesthesia was 34.2%. Furthermore, 28.8% of patients would not choose spinal anesthesia in the future for similar surgery, if required. The pain during needle insertion (odds ratio, 0.48; 95% confidence interval 0.41–0.74) at p-value 0.001, intraoperative nausea vomiting (odds ratio 0.8; 95% confidence interval 0.53–0.94) at p-value 0.02 and postoperative headache (odds ratio 0.28; 95% confidence interval, 0.09–0.87) at p-value 0.01, were associated with maternal dissatisfaction.
Conclusion and recommendations: Respondents who have pain during Spinal anesthesia, those who feel intraoperative nausea-vomiting, and patients who get post-operative headaches were the major predictors of maternal dissatisfaction. So,attending anesthetists or practitioners must pay attention to the patient under spinal anesthesia, mainly preventing their perioperative complaints which can cause maternal dissatisfaction.
The Φ⁶-model Expansion Approach for Solving the (2+1)-dimensional Nlse With Kerr Law Nonlinearity and Std With Multiplicative White Noise in Birefringent Fibers
Authors: AlQahtani Salman A. , Shohib Reham M. A. , Alngar Mohamed E. M. , Alawwad Abdulaziz M.
Published: October 2023

In the Itô sense, the (2+1)-dimensional NLSE with Kerr law nonlinearity and STD in birefringent fibers with multiplicative white noise is the subject of the current investigation. To do this, the Φ⁶- model expansion approach is implemented. Jacobi-elliptic solutions, dark solitons, bright solitons, singular solitons, and periodic solutions are all provided by this study's analysis. These findings contribute to the advancement of fiber laser technology: It contributes to the development of more efficient and stable fiber laser systems used in material processing, medical treatments, and telecommunications. Representations of the Jacoi-elliptic solution, bright and dark solitons are available in 2D and 3D.
On the Fiscal Sustainability of Swiss Cantons since 1905
Authors: Bury Yannick , Feld Lars P. , Köhler Ekkehard A.
Published: October 2023

With an outstandingly long data set of Swiss cantonal public finances we study whether the Swiss subnational level runs sustainable fiscal policies. Going back to the year 1905, we test for stationarity of cantonal public debt, revenue and spending and for cointegration between cantonal revenues and expenditures. Based on time series properties, we estimate individual fiscal reaction functions for each canton and for the panel of cantons as a whole. Using second generation panel-modelling which accounts for heterogeneity in cantonal fiscal policy, structural breaks and cross-sectional dependence among the cantons, our results show that the cantons run sustainable policies. Moreover, our results provide evidence that fiscal institutions can explain part of the heterogeneity in cantonal fiscal reactions to increased debt.
Knowledge, attitudes and practices about research misconduct among medical residents in Southwest China: a cross-sectional study
Authors: Chen Lulin , Li Yizhao , Wang Jie , Li Yue , Tan Xiaoli , Guo Xiaoyan
Published: October 2023

Background
With the emergence of numerous scientific outputs, growing attention are paid to research misconduct. This study aimed to investigate knowledge, attitudes and practices about research misconduct among medical residents in Southwest China.
Methods
A cross-sectional study was conducted in southwest China from November 2022 through March 2023. The links to the questionnaire were sent to the directors of the teaching management department in 17 three tertiary hospitals. Answers were collected and analyzed. Logistic regression analysis was performed to explore the factors associated with research misconduct among residents.
Results
6200 residents were enrolled in the study, and 53.7% admitted to have committed at least one form of research misconduct. Postgraduate or above, publishing papers as the first author or corresponding author, attending a course on research integrity, lower self-reported knowledge regarding research integrity and lower perceived consequences for research misconduct were positively correlated with research misconduct. Serving as a primary investigator for a research project was negatively associated with research misconduct. Most residents (66.3%) agreed the reason for research misconduct that researchers lack research ability.
Conclusions
This study shew a high self-reported rate of research misconduct among residents, and research misconduct knowledge and perceived consequences for research misconduct were necessary to be improved. “Researchers lack research ability” was the primary reason for research misconduct among residents. More training focusing on misconduct knowledge and consequences for research misconduct should be conducted to improve research integrity.
Exploring the Interplay Between Physical Activity, Dietary Patterns, Diabetes, and All-Cause Mortality in the U.S. Population: A Distributional Data Analysis Perspective.
Authors: Carreira-Casais Anxo , Matabuena Marcos , Ghosal Rahul , Wagner Robert , Saavedra Miguel , Onnela Jukka-Pekka , Bohn Lucimere
Published: October 2023

Purpose
A proper physical activity level and a wholesome dietary are pivotal for averting diabetes onset and its clinical complications. There is a scarcity of works comprehensively evaluating the influence of objectively measured physical activity, on the prevalence of diabetes and the incidence of adverse events among persons with diabetes.
Aims
First, to precisely quantify the association between accelerometer-measured physical activity and diabetes susceptibility within an adult U.S. population. Second, to verify the interplay between physical activity levels, glucose values, and survival among older adults who present the highest mortality risk as consequence of diabetes.
Methods
This study encompassed a comprehensive cohort of 5011 adults drawn from the 2011–2014 National Health and Nutrition Examination Survey (NHANES). Physical activity (total activity counts) was transformed into distributional representations, and subsequently submitted to cluster analyses. The association of clusters with diabetes and all-cause mortality was analyzed using logistic regression and Cox models, respectively, also accounting for the survey weights and the covariates sex, age, and ethnicity.
Results
The phenotype with the lower prevalence of diabetes (phenotype 1) spent 5% of the time in moderous to vigourous physical activity, while the other phenotypes had a prevalence of diabetes (phenotype 2) and spent approximately 1–3% in moderous to vigorous physical activity. The susceptibility to diabetes exhibits considerable variability, contingent upon distinct physical activity phenotypes (1 to 4) and pertinent clinical attributes such as age and ethnicity. Between phenotype 1 and phenotype 3, the risk of diabetes mellitus showcases a fluctuation exceeding 114%. In this scenario, these variations are more attributable to the ethnic composition of phenotypes rather than mere disparities in overall physical activity levels. In the context of phenotypes 2 and 3, the dissimilarities are primarily linked to specific profiles of physical activity. In survival analysis, a interplay emerges between patterns of physical activity and the glucose levels of patients, exerting a significant influence on time-to-event analysis. The most sedentary phenotypes contribute to escalated hazard ratios of 14% and 16% in the interaction with the glucose values, thus underscoring their pronounced impact on patient outcomes.
Conclusions
Using a novel representation of physical activity data and an unbiased data-driven analysis, we identified 4 clusters of physical activity that clearly stratify diabetes and mortality risk.
Hydroxyl-rich KIr4O8 Nanowires Promote Acidic Water Oxidation Electrocatalysis with Industrial Current Density
Authors: Wang Guoxiong , Li Zhenyu , Li Xiang , Wei Pengfei , Liao Ziqi , Wang Mengna , Yu Jingcheng , Lu Fang , Liu Tianfu
Published: October 2023

Achieving high performance over Ir-based catalysts is still an enormous challenge for oxygen evolution reaction (OER) in acidic condition. Herein, we report that hydroxyl-rich KIr4O8 nanowires with more exposed active sites exhibit excellent catalytic activity and stability toward acidic OER. KIr4O8 nanowires anode catalyst shows a current density of 2.1 A/cm2 at 2 V in proton exchange membrane water electrolyzer. Combining in situ Raman spectroscopy and electrochemical mass spectroscopy results, we propose the modified adsorbate evolution mechanism that rich hydroxyl in inherent structure of KIr4O8 nanowires directly participants in the catalytic process for favoring the OER. Density functional theory calculation results further suggest that the enhanced proximity between Ir (d) and O (p) band center in KIr4O8 can strengthen the covalence of Ir-O, facilitate electron transfer between adsorbents and active sites, and decrease the energy barrier of rate-determining step during the OER.
Does commodity exposure benefit traditional portfolios? Evidence from India
Authors: Pandey Vikas
Published: October 2023

Commodities and commodity futures are expected to benefit stock and bond portfolio diversification because traditional asset types like equities and bonds have low correlations with commodities. During periods when stocks and bonds may underperform, commodities may provide a hedge against inflation and other economic uncertainties. This study investigates the diversification benefits of adding commodities to a traditional portfolio of stock and bonds from the perspective of an Indian investor. It employs several commonly used asset allocation strategies such as mean-variance, equal risk contribution, most diversified portfolio, and equal weight portfolio on different commodity derivative groups. The performance of various portfolios indicates that not all commodity groups provide substantial diversification benefits to a traditional portfolio. Agricultural commodities enhance performance (with an Omega ratio of 1.654), whereas metal and energy-related commodities do not diversify the traditional portfolio significantly (Omega ratio of 1.087 and 0.945, respectively). Gold and different equity sectors also provide some diversification benefits. This study also supports the hypothesis that the behavior of different commodity groups is quite different.
AcknowledgmentThe infrastructural support provided by the FORE School of Management, New Delhi, in completing this paper is gratefully acknowledged.
The impact of foreign direct investment on GDP growth: The case of Turkey
Authors: Azizov Mayis , Bilan Yuriy , Jabiyev Farid , Alirzayev Elvin , Heyderova Aybeniz
Published: October 2023

The development of investment processes is significant for a country’s economy, economic development, and the expansion of market opportunities. The successful functioning of the national economy in the global economic space requires its integration into the international finance system. The impact of foreign direct investment on the economy of host countries remains relevant. The purpose of this study is to investigate the impact of foreign direct investments on the Gross Domestic Product of Turkey for the years 1990–2021. The data set includes foreign direct investments, exchange rate levels, and the Gross Domestic Product of Turkey and was used in logarithmic form in the empirical assessments. The results show a positive and statistically significant relationship between foreign direct investments and Gross Domestic Product. A long-term integrative relationship exists between the independent variables (foreign direct investments and exchange rate) and the dependent variable (Gross Domestic Product). Consequently, this implies that a 1% increase in foreign direct investment results in a 0.35% increase in Gross Domestic Product, holding other factors constant.
Hydrodynamics and sediment transport in Poyang Lake under the effects of wind and backflow
Authors: Tang Hongwu , Yu Yang , Yuan Saiyu , Li Zhipeng , Cao Hao , Jiang Chenyu , Gualtieri Carlo
Published: October 2023

The ecology of the aquatic environment in Poyang Lake, the largest fresh lake in China, is notably impacted by the backflow from the Yangtze River, which conveys a high flux of sediments. This study employs a widely recognized numerical model to replicate the backflow in 2007 (the strongest backflow after the operation initiation of the Three Gorges Dam) to investigate the contributions of wind and backflow to the sediment transport process. The results show that the influences of wind and backflow on flow patterns and sediment transport processes have significant spatial heterogeneity. In the narrow waterway leading to the central lake area, hydrodynamics is mainly driven by backflow. Conversely, the hydrodynamics of the open expanse of the lake is primarily influenced by wind forces. Dominant wind leads to the formation of gyres, which significantly alter flow paths and push sediment into the upstream areas. As a result, the suspended sediment area expands at an average rate of 20.1–21.3 km2 daily, marking a 75–85% surge compared to the no wind condition (11.5 km2). The study facilitates a deeper understanding of sediment transport processes in large lakes.
Depthwise evaluation of total dissolved solids and arsenic from a drilled borehole near River Ravi, Lahore, Pakistan
Authors: Rehman Habib Ur , Rahman Mujeeb Ur , Ahmed Saeed
Published: October 2023

Groundwater pollution is now a significant threat to the ecosystem. The untreated disposal of municipal and industrial wastes through drains into water bodies (rivers, lakes, and canals) is the primary source of contamination. The highly contaminated water harms individual health. In this study, total dissolved solids (TDS) and arsenic (As) mobilization were explored depthwise from a drilled borehole at main Raiwind Road, Thokar Niaz Baig, near River Ravi, Lahore. The concentrations of TDS and As in the aquifer indicate that the top shallow aquifer bearing high salts occurred due to local inputs of waste effluents discharged into the River Ravi. In contrast, at deep shallow aquifers, enrichment of As with elevated pH results from the geochemical oxidative dissolution process. The results showed that natural and anthropogenic activities influence groundwater throughout the depth. The TDS and As concentrations were found above the World Health Organisation (WHO) guideline values at some depth intervals, which are harmful to human health.
Epsilon-MnO2 simply prepared by redox precipitation as an efficient catalyst for ciprofloxacin degradation by activating peroxymonosulfate
Authors: Li Xiaoyan , Zhang Hongbin , Zhang Guozhen , Zhou Tianhong , Min Rui
Published: October 2023

Four kinds of manganese oxides were successfully prepared by hydrothermal and redox precipitation methods, and the obtained oxides were used for CIP removal from water by activating PMS. The microstructure and surface properties of four oxides were systematically characterized. The results showed that ε-MnO2 prepared by the redox precipitation method had large surface area, low crystallinity, high surface Mn(III)/Mn(Ⅳ) ratio and the highest activation efficiency for PMS, that is, when the concentration of PMS was 0.6 g/L, 0.2 g/L ε-MnO2 could degrade 93% of CIP within 30 min. Multiple active oxygen species, such as sulfate radical, hydroxyl radical and singlet oxygen, were found in CIP degradation, among which sulfate radical was the most important one. The degradation reaction mainly occurred on the surface of the catalyst, and the surface hydroxyl group played an important role in the degradation. The catalyst could be regenerated in situ through the redox reaction between Mn4+ and Mn3+. The ε-MnO2 had the advantages of simple preparation, good stability and excellent performance, which provided the potential for developing new green antibiotic removal technology.
In-vitro Antioxidant, In-vitro and In-silico Ovarian Anticancer Activity (Ovarian Cancer Cells-PA1) and Phytochemical Analysis of Cissus quadrangularis L. Ethanolic Extract
Authors: Zhao Xuejing , Wang Yinghui , Zhang Zhaohui , Velu Periyannan , Liu Runping
Published: October 2023

Background:

Cissus quadrangularis is a valuable natural source of traditional medicines.

Objective:

An in vitro investigation was performed to determine whether the ethanolic extract
from the whole portions of C. quadrangularis had anticancer and free radical scavenging activities
against ovarian cancer cells-PA1. C. quadrangularis is a herb collected from rural areas in
Andhra Pradesh, India.

Materials and Methods:

C. quadrangularis was air-dried and crushed, and the powder and ethanol
(0.5 kg) were used in a Soxhlet device for continuous extraction. Phytochemical analysis of
the extracts was performed using a standard procedure. The antioxidant activity of the ethanolic
extract of C. quadrangularis was evaluated using DPPH. An in vitro anticancer study used an
ethanolic extract against the PA1 cell line. Apoptosis of ovarian cancer cells was studied using
DAPI and carboxy-H2DCFDA staining. From LC-MS analysis, quercetin-3-O-alpha-Lrhamnopyranoside
and erucic acid were docked with the threonine tyrosine kinase (TTK) enzyme
using auto docking.

Results:

The ethanolic extract of C. quadrangularis demonstrated significant dose-dependent antioxidant
activity compared to ascorbic acid. The ethanolic extract of C. quadrangularis was found to
have high anticancer activity against ovarian cancer cell lines (PA1), with an IC50 value of 482.057 ±
113.857 μg/ml. DAPI and carboxy-H2DCFDA staining confirmed that C. quadrangularis ethanolic
extract induced apoptosis in ovarian cancer cells (p < .001). Molecular docking studies helped identify
the binding affinities between the protein and ligand complexes, such as Quercetin-3-O-alpha-Lrhamnopyranoside
binding sites of target proteins 5N7V (MET602, GLN672) and erucic acid 5N7V
(GLY354). Quercetin-3-O-alpha-L-rhamnopyranoside was reported to bind with 5N7V by hydrogen
bonding at MET602 and GLN672 amino acids with 2.02, 2.99 Å bonding length distance and binding
affinity of -7.9 kcal/mol. Erucic acid was reported to bind with 5N7V by hydrogen bonding at
GLY354 amino acid with 3.18, 2.93 Å bonding length (Å) distance and binding affinity of -4.3
kcal/mol. The current analysis showed that the ethanolic extracts of C. quadrangularis L. exhibited
antioxidant and anticancer properties against ovarian PA1 cells.

Conclusion:

The experimental results confirmed that C. quadrangularis L. is a promising, safe
chemotherapeutic plant for ovarian cancer PA1 cells. The docking results demonstrated that
Quercetin-3-O-alpha-L-rhamnopyranoside strongly binds threonine tyrosine kinase at the
MET602 and GLN672 positions. This study showed that the C. quadrangularis ethanolic extract
has Quercetin-3-O-alpha-L-rhamnopyranoside, which can be used as an anticancer agent.
Effects of Saikosaponin D on Apoptosis, Autophagy, and Morphological
Structure of Intestinal Cells of Cajal with Functional Dyspepsia
Authors: Zeng Yi , Zhou Li , Wan Ying , Fu Ting , Xu Paidi , Zhang Hongxing , Guan Ying
Published: October 2023

Objective:

Functional dyspepsia (FD) is one of the most common gastrointestinal diseases,
with a global prevalence of 10%-30%. However, the specific pathogenesis of FD has not
yet been determined. As such, the aim of this study was to investigate the effects of saikosaponin
D (SSD) administration on the apoptosis, autophagy, and morphological structure of the intestinal
cells of Cajal (ICCs) in FD.

Methods:

A rat model of FD was constructed by stimulating the rat tail with a sponge clamp at
one-third of the distal tail length. An autophagy model was constructed for ICCs using glutamate.
The apoptosis rate in each group of cells was determined using flow cytometry. The
expressions of ghrelin and substance P (SP) were detected using ELISA.

Results:

The body weight and food intake of male and female rats in the SSD group were consistently
higher than those in the model group. The SSD group showed substantial improvement
compared with the model group, with no inflammatory cell infiltration and normal gastric mucosal
structures. After intervention with SSD, the ultrastructure of the ICCs considerably improved
and was clear. Compared with the model group, the expressions of LC3 I/II, ghrelin, and SP proteins
in the SSD group were significantly upregulated, and the apoptosis rate was significantly
reduced.

Conclusion:

The administration of SSD improved ICC morphology and structure, inhibited excessive
autophagy, and improved FD, a gastrointestinal motility disorder, by regulating ghrelin
and SP levels.
Alleviation of Angiotensin II-Induced Vascular Endothelial Cell Injury
Through Long Non-coding RNA TUG1 Inhibition
Authors: Shi Lin , Li Hui , Sun Lingzhi , Tian Caijun , Li Haitao
Published: October 2023

Background:

Hypertension damages endothelial cells, causing vascular remodelling.
It is caused by Ang II-induced endothelial cell (EC) destruction. The long noncoding RNA
(lncRNAs) are emerging regulators of endothelium homeostasis. Injured endothelium expresses
lncRNA taurine-upregulated gene 1 (TUG1), which may mediate endothelial cell damage, proliferation,
apoptosis, and autophagy and contribute to cardiovascular disease. However, uncertainty
surrounds the function of lncRNA TUG1, on arterial endothelium cell damage.

Objective:

This research aimed to investigate the role and mechanism of lncRNA TUG1 in vascular
endothelial cell injury.

Method:

A microarray analysis of lncRNA human gene expression was used to identify differentially
expressed lncRNAs in human umbilical vein endothelial cell (HUVEC) cultures. The viability,
apoptosis, and migration of Ang II-treated HUVECs were then evaluated. In order to investigate
the role of lncRNA TUG1 in hypertension, qRT-PCR, western blotting, and RNA-FISH
were used to examine the expression of TUG1 in SHR mice.

Results:

Ang II-activated HUVECs and SHR rats' abdominal aortas highly express the lncRNA
TUG1. LncRNA TUG1 knockdown in HUVECs could increase cell viability, reduce apoptosis,
and produce inflammatory factors. In SHR rat abdominal aortas, lncRNA TUG1 knockdown
promoted proliferation and inhibited apoptosis. HE spotting showed that lncRNA TUG1 knockdown
improved SHR rats' abdominal aorta shape. lncRNA TUG1 knockdown promotes miR-9-
5p, which inhibits CXCR4 following transcription. The lncRNA TUG1/miR-9-5p/CXCR4 axis
and vascular cell injury were also examined. MiR-9-5p silencing or CXCR4 overexpression lowered
cell survival, apoptosis, and lncRNA TUG1-induced IL-6 and NO expression.

Conclusion:

lncRNA TUG1 suppression could reduce Ang II-induced endothelial cell damage
by regulating and targeting miR-9-5p to limit CXCR4 expression and open new vascular disease
research pathways.
HDAC9 as a Privileged Target: Reviewing its Role in Different Diseases
and Structure-activity Relationships (SARs) of its Inhibitors
Authors: Das Totan , Khatun Samima , Jha Tarun , Gayen Shovanlal
Published: October 2023

HDAC9 is a histone deacetylase enzyme belonging to the class IIa of HDACs which catalyses
histone deacetylation. HDAC9 inhibit cell proliferation by repairing DNA, arresting the cell
cycle, inducing apoptosis, and altering genetic expression. HDAC9 plays a significant part in human
physiological system and are involved in various type of diseases like cancer, diabetes, atherosclerosis
and CVD, autoimmune response, inflammatory disease, osteoporosis and liver fibrosis. This review
discusses the role of HDAC9 in different diseases and structure-activity relationships (SARs)
of various hydroxamate and non-hydroxamate-based inhibitors. SAR of compounds containing several
scaffolds have been discussed in detail. Moreover, structural requirements regarding the various
components of HDAC9 inhibitor (cap group, linker and zinc-binding group) has been highlighted in
this review. Though, HDAC9 is a promising target for the treatment of a number of diseases including
cancer, a very few research are available. Thus, this review may provide useful information for
designing novel HDAC9 inhibitors to fight against different diseases in the future.
Insight into Structure-Activity Relationship of New Compounds for Breast Cancer Treatment
Authors: Li Lu , Zhang Qiangsheng
Published: October 2023

Background:

Breast cancer has always been a vicious disease that threatens female
health. Although the existing surgery, radiotherapy, chemotherapy, and kinase-targeted drugs
have achieved certain effects, there are still many shortcomings. Novel compounds used to treat
breast cancer, particularly TNBC, are eagerly being discovered.

Methods:

More than 100 novel compounds that show anti-breast cancer growth were compiled
from public databases. The compound design strategies, structure-activity relationship research,
and activity evaluation methods have also been reviewed.

Results:

These novel anti-breast cancer compounds can be divided into mechanisms of action: kinase
inhibitors, epigenetic inhibitors, dual inhibitors, degraders, metal complexes, etc. The design
strategies mainly include conformational constraint, scaffold-hopping, merging key pharmacophores,
etc. Structure-activity relationship studies of these new compounds mainly focus on increasing
activity, improving selectivity, increasing membrane permeability, reducing toxicity, improving
pharmacokinetic properties, etc.

Conclusion:

Through the structural optimization of kinase inhibitors, microtubule-targeted drugs,
and metal complexes, it is expected to obtain more advantageous breast cancer treatment drugs. It
cannot be ignored that epigenetic inhibitors, dual inhibitors and degraders may bring new breast
cancer treatment strategies.
An Updated Overview of Synthetic α-glucosidase Inhibitors: Chemistry and Bioactivities
Authors: Cai Yong-Si , Xie Hong-Xu , Zhang Jin-He , Li Yue , Zhang Juan , Wang Kai-Ming , Jiang Cheng-Shi
Published: October 2023

Diabetes mellitus (DM) is a critical global health issue, affecting nearly half a billion people worldwide, with an increasing incidence rate and mortality. Type 2 diabetes is caused by the body's inability to effectively use insulin, and approximately 95% of patients have type 2 diabetes. α-glucosidase has emerged as an important therapeutic target for the treatment of type 2 diabetes. In the past years, three α-glucosidase inhibitors have been approved for clinical use, namely acarbose, voglibose, and miglitol. However, the undesirable effects associated with these carbohydrate mimic-based α-glucosidase inhibitors have limited their clinical applications. Consequently, researchers have shifted their focus towards the development of non-carbohydrate mimic α-glucosidase inhibitors that can safely and effectively manage postprandial hyperglycemia in type 2 diabetes. Herein, this article provides an overview of the synthetic α-glucosidase inhibitors, particularly those based on heterocycles, which have been reported from 2018 to 2022. This article aims to provide useful information for medicinal chemists in further developing clinically available anti-type 2 diabetes drugs.
Thymol-based Dual Chemosensor for Optical Detection of Cu2+ and
Pb2+ ions and Evaluation of its Toxicity Against Plant Growth Promoting
Rhizobacteria
Authors: Kaur Ramneet , Gaba Jyoti , Kumari Suman , Midha Ruhi
Published: October 2023

Thymol is a naturally occurring monoterpenoid phenol, and its derivatives may emerge as
eco-friendly materials for the development of chemosensing probes. To prepare a non-toxic chemosensing
probe based on thymol moiety for the detection of metal ions.

:

A chemosensor (TPC) based on thymol was afforded by the reaction of thymol and piperidine in
methanol. The structure elucidation of TPC was carried out with UV-Vis, 1H-NMR, 13C-NMR, and
FT-IR analysis. The chemosensing properties of the synthesized probe were determined with UVvisible
spectroscopy, and further, it was exploited for the determination of the concentration of Cu2+
and Pb2+ ions in spiked tap water samples. The toxicity studies of the chemosensing probe were conducted
against the plant growth-promoting rhizobacteria (PGPR), i.e., Rhizobium sp., Pseudomonas
sp., and Azospirillum sp. The absorption spectrum of TPC showed a band at 277 nm. The presence of
Cu2+ and Pb2+ ions induced an increase in the absorption intensity at 277 nm by 2-fold and 1.5-fold,
respectively. The binding constant for both TPC-Cu2+ and TPC-Pb2+ was calculated as 1.55 × 105 M-1
and 1.47 × 105 M-1, respectively. The respective limit of detection (LOD) and limit of quantification
(LOQ) for Cu2+ were 623.64 × 10-6 mol L-1 and 1889.85 × 10-6 mol L-1. For Pb2+ ions, LOD and LOQ
were calculated as 676.70 × 10-6 mol L-1 and 2050.60 × 10-6 mol L-1, respectively. In spiked tap water
samples, percent recovery was observed in the range of 80.1 to 81.0 % and 80.1 to 81.9 % for Cu2+
and Pb2+ ions, respectively. Toxicity studies of the synthesized probe inferred that TPC was non-toxic
against the tested PGPR at all the tested concentrations. In this work, we have synthesized a thymolbased
chemosensor, which has been evaluated as a non-toxic sensor for Pb2+ and Cu2+ ions.
Effects of Vitamins E and D on Mechanical Properties of Breast Cancerous Cells
Authors: Jarahi Khameneh Armin , Milani Dornaz , Babaei Nasibeh , Hannani Negin , Heydarian Ashkan , Sahbafar Hossein
Published: October 2023

Background:

Several investigations have demonstrated that vitamins can treat or prevent
cancer by altering actin filaments and inhibiting cell migration and proliferation. Vitamins D and E
are fat-soluble. This research aims to determine the short-term impact of vitamin D and E on the mechanical
properties of breast cancer cells before comparing them with normal breast cells.

Methods:

Atomic force microscopy (AFM) was used to examine the deformation of MCF-10 normal
breast cells, MCF-7 breast cancer cells, and MCF-7 breast cancer cells treated with 0.03 μM vitamin
D and 16 μM vitamin E solutions. Young's modulus was calculated employing the Hertz model to
determine cell stiffness.

Results:

The Young's modulus of vitamin D-treated cancer cells (585.8 Pa) was substantially similar
to that of normal cells (455.6 Pa). Nevertheless, vitamin E treatment did not affect Young's modulus
of cancer cells, which remained remarkably similar to that of untreated cancer cells (216.6 and 203.4
Pa, respectively).

Conclusion:

Unlike vitamin E, vitamin D enhances the stiffness of tumor cells and makes their mechanical
properties similar to normal cells by interfering with actin filaments and cell skeletons,
which may inhibit tumor cell migration. Based on these findings, vitamin D appears to be an effective
drug for cancer treatment.
Predictor Role of Intimate Domestic Violence During Pregnancy and
Mental Health in Maternal Competency with Moderating Role of Motherinfant
Attachment: A Structural Equation Model
Authors: Ansarifar Faeze , Rahimzadeh Mitra , Keshavarz Maryam , Babaheidari Touran Bahrami , Saeieh Sara Esmaelzadeh
Published: October 2023

Introduction:

Intimate domestic violence causes psychological consequences in pregnancy and maternal competency. We aimed to assess the effect of domestic violence on mental
health and maternal competency with the moderating role of mother-infant attachment behavior.

Methods:

This prospective longitudinal study was conducted on 254 primiparous mothers in the
third trimester of pregnancy referring to selected health centers in Qazvin province, Iran. Data collection tools were questionnaires. Data were analyzed by SPSS and Smart Partial Lease Square3
software.

Results:

The results of the structural equations model showed that domestic violence has a positive and significant effect on mental health disorders (β = 0.87). Mental health disorder has a negative and significant effect on parental acceptance (β = -0.55). Domestic violence has a negative
and significant effect on mother-infant attachment behavior (β = -0.83), also mother-infant attachment behavior is a moderator of the relationship between pregnancy violence and maternal competency (T-value = 3.17).

Conclusion:

The results revealed that domestic violence during pregnancy affects the mental
health of pregnant mothers and maternal competency and mother-infant attachment behavior moderates this relationship. Therefore, it is recommended that mothers facing domestic violence be
identified and receive psychological support and counseling, and also improve maternal competence and mother-infant attachment behavior in mothers exposed to violence.