bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ligand-based drug design against Herpes Simplex Virus-1 capsid protein by modification of limonene through in silico approaches
Authors: Islam Md. Rezaul , Islam Sovon Md. Shafiqul , Amena Ummy , Rahman Miadur , Hosen Md. Eram , Kumer Ajoy , Bourhia Mohammed , Bin Jardan Yousef A. , Ibenmoussa Samir , Wondmie Gezahign Fentahun 
Published: April 2024

AbstractThe pharmacological effects of limonene, especially their derivatives, are currently at the forefront of research for drug development and discovery as well and structure-based drug design using huge chemical libraries are already widespread in the early stages of therapeutic and drug development. Here, various limonene derivatives are studied computationally for their potential utilization against the capsid protein of Herpes Simplex Virus-1. Firstly, limonene derivatives were designed by structural modification followed by conducting a molecular docking experiment against the capsid protein of Herpes Simplex Virus-1. In this research, the obtained molecular docking score exhibited better efficiency against the capsid protein of Herpes Simplex Virus-1 and hence we conducted further in silico investigation including molecular dynamic simulation, quantum calculation, and ADMET analysis. Molecular docking experiment has documented that Ligands 02 and 03 had much better binding affinities (− 7.4 kcal/mol and − 7.1 kcal/mol) to capsid protein of Herpes Simplex Virus-1 than Standard Acyclovir (− 6.5 kcal/mol). Upon further investigation, the binding affinities of primary limonene were observed to be slightly poor. But including the various functional groups also increases the affinities and capacity to prevent viral infection of the capsid protein of Herpes Simplex Virus-1. Then, the molecular dynamic simulation confirmed that the mentioned ligands might be stable during the formation of drug-protein complexes. Finally, the analysis of ADMET was essential in establishing them as safe and human-useable prospective chemicals. According to the present findings, limonene derivatives might be a promising candidate against the capsid protein of Herpes Simplex Virus-1 which ultimately inhibits Herpes Simplex Virus-induced encephalitis that causes interventions in brain inflammation. Our findings suggested further experimental screening to determine their practical value and utility.
Flexural failure properties of fiber-reinforced hybrid laminated beam subject to three-point bending
Authors: Tefera Getahun , Adali Sarp , Bright Glen 
Published: April 2024

AbstractThe present study investigates the flexural failure properties of a hybrid laminate beam subjected to three-point bending. A symmetrically laminated hybrid beam is constructed using high-strain and inexpensive glass fibre on the top layers and low-strain and expensive carbon fiber on the middle layers. Classical lamination plate theory is used to find the stress and strain distribution that occurs due to the bending moment on the compressive side. The theoretical failure limits of the laminated hybrid beam are analyzed considering the targeted span-to-depth ratios, volume fractions of the fibers and hybrid ratios using the Tsai-Wu failure criterion and Matlab codes. Using the graph of failure index versus hybrid ratios, the minimum thickness of carbon fiber needed for the delay of failure and cost efficiency of the laminated hybrid beam is identified by applying the linear interpolation method. The numerical results indicate that the failure index increases with the increasing loading span and decreases when the volume fraction of fiber increases. In particular, the placement of glass fiber on the top layer of the laminated hybrid beam might have contributed to obtaining higher strains and curvatures before the catastrophic failure properties of carbon fiber. The flexural stiffness of the laminates is found to increase when the hybrid ratio increases. Overall, it is noted that the theoretical analysis is one method that is less time-consuming and cost-effective than other alternative approaches, such as finite element methods and experimental tests to estimate the minimum thickness of high-stiffness and the expensive material needed to maintain the strength and stiffness of the hybrid composite structures over long periods.
Development of a nomogram for predicting in-hospital mortality in patients with liver cirrhosis and sepsis
Authors: Lin Hai-rong , Liao Qiu-xia , Lin Xin-xin , Zhou Ye , Lin Jian-dong , Xiao Xiong-jian 
Published: April 2024

AbstractIn this study, we aimed to investigate the risk factors associated with in-hospital mortality in patients with cirrhosis and sepsis, establish and validate the nomogram. This retrospective study included patients diagnosed with liver cirrhosis and sepsis in the Medical Information Mart for Intensive Care IV (MIMIC-IV). Models were compared by the area under the curve (AUC), integrated discriminant improvement (IDI), net reclassification index (NRI) and decision curve analysis (DCA). A total of 1,696 patients with cirrhosis and sepsis were included in the final cohort. Our final model included the following 9 variables: age, heartrate, total bilirubin (TBIL), glucose, sodium, anion gap (AG), fungal infections, mechanical ventilation, and vasopressin. The nomogram were constructed based on these variables. The AUC values of the nomograms were 0.805 (95% CI 0.776–0.833), which provided significantly higher discrimination compared to that of SOFA score [0.684 (95% CI 0.647–0.720)], MELD-Na [0.672 (95% CI 0.636–0.709)] and ABIC [0.674(95% CI 0.638–0.710)]. We established the first nomogram for predicting in-hospital mortality in patients with liver cirrhosis and sepsis based on these factors. This nomogram can performs well and facilitates clinicians to identify people at high risk of in-hospital mortality.
Use of a natural rock material as a precursor to inhibit corrosion of Ti alloy in an aggressive phosphoric acid medium
Authors: Fekry Amany M. , Filippova Inna V. , Medany Shymaa S. , Abdel-Gawad Soha A. , Filippov Lev O. 
Published: April 2024

AbstractThe mechanism of interaction between magnesite mineral and phosphoric acid (0.001–0.5 M) in addition to the determination of the protective properties for Ti alloy (working electrode) in phosphoric acid both with and without an inhibitor have been investigated by electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization measurements. Results of electrochemical tests show that the corrosion resistance of titanium alloy in phosphoric acid solution only increased and hydrogen production decreased by either decreasing acid concentration or increasing immersion time associated with the thickening of the oxide film formed on the alloy surface. On adding magnesite, the corrosion resistance of Ti alloy is enhanced by increasing the phosphoric acid concentration (0.001–0.5 M) due to the formation of sparingly soluble magnesium phosphate film on the alloy surface that inhibits the effect of increasing hydrogen evolution reaction due to the pH value decreases. The increasing adsorption behavior of the magnesite inhibitor and decreasing its diffusion were deduced from EIS measurements. Thus, the addition of 3% magnesite minimizes the corrosion by forming a new protective film (Mg3(PO4)2), which differs from the traditional passive film and prevents the effect of the increase of hydrogen evolution. The surface morphology and chemical composition of the tested alloy were determined using scanning electron microscopy (SEM), Fourier transform Infra-Red spectroscopy (FTIR), X-ray diffraction (XRD), X-ray Fluorescence (XRF) and In situ Raman spectroscopy.
The impact of childhood trauma on emotional distress and the moderating role of sense of coherence among college students in China
Authors: Fan Ningdan , Fan Huanhuan , Luo Ruiqing , Wang Yu , Yan Yushun , Yang Xiao , Wang Min , Dou Yikai , Ni Rongjun , Wei Jinxue , Yang Wanqiu , Ma Xiaohong 
Published: April 2024

AbstractChildhood trauma is strongly linked to emotional distress. However, few studies have explored the impact of sense of coherence (SOC) on the relationship between childhood trauma and emotional distress in college students. This study aimed to explore its impact on the relationship between childhood trauma and emotional distress. Analyzing data from 2307 Chinese college students, we found that SOC moderated the association between childhood trauma and anxiety/depression levels. Females showed higher SOC and lower anxiety/depression despite experiencing more childhood trauma. Multiple linear regression revealed that anxiety was negatively associated with SOC(P < 0.001) and grade(P = 0.027), and positively with childhood trauma(P < 0.001) and male gender(P = 0.004). Similarly, the depression exhibited similar associations. SOC moderated negatively the relationship between CTQ and anxiety, as well as between CTQ and depression. Childhood trauma is associated with increased emotional distress risk among college students, but a strong SOC can reduce this risk.
Spinal degeneration and lumbar multifidus muscle quality may independently affect clinical outcomes in patients conservatively managed for low back or leg pain
Authors: Cooley Jeffrey R. , Jensen Tue S. , Kjaer Per , Jacques Angela , Theroux Jean , Hebert Jeffrey J. 
Published: April 2024

AbstractFew non-surgical, longitudinal studies have evaluated the relations between spinal degeneration, lumbar multifidus muscle (LMM) quality, and clinical outcomes. None have assessed the potential mediating role of the LMM between degenerative pathology and 12-month clinical outcomes. This prospective cohort study used baseline and 12-month follow-up data from 569 patients conservatively managed for low back or back-related leg pain to estimate the effects of aggregate degenerative lumbar MRI findings and LMM quality on 12-month low back and leg pain intensity (0–10) and disability (0–23) outcomes, and explored the mediating role of LMM quality between degenerative findings and 12-month clinical outcomes. Adjusted mixed effects generalized linear models separately estimated the effect of aggregate spinal pathology and LMM quality. Mediation models estimated the direct and indirect effects of pathology on leg pain, and pathology and LMM quality on leg pain, respectively. Multivariable analysis identified a leg pain rating change of 0.99 [0.14; 1.84] (unstandardized beta coefficients [95% CI]) in the presence of ≥ 4 pathologies, and a disability rating change of − 0.65 [− 0.14; − 1.16] for each 10% increase in muscle quality, but no effect on back pain intensity. Muscle quality had a non-significant mediating role (13.4%) between pathology and leg pain intensity. The number of different pathologies present demonstrated a small effect on 12-month leg pain intensity outcomes, while higher LMM quality had a direct effect on 12-month disability ratings but no mediating effect between pathology and leg pain. The relations between degenerative pathology, LMM quality, and pain-related outcomes appear complex and may include independent pathways.
Research on optimization of basic rail top bending prediction model
Authors: Liu Chunjiang , Dong Zhikui , Ma Long , Hou Xinyu , Qiao Nanbing 
Published: April 2024

AbstractSince the basic rail of the switch needs to have a certain bending angle when the train changes direction, top bending is an important link in the production process of the basic rail. The three-point pressure top bending method is simple, flexible and widely used. In this study, the traditional three-point pressure bending is optimized, the influence of the pick width in the model is considered, a corresponding rebound model is established, and the model is applied to the pressure bending process of the basic rail. The bilinear strengthening model of the material was used to construct the bending moment expressions at different positions during the top bending process, and the relationship between the load and bending deflection in the elastic stage and elastic-plastic stage was obtained. The final top bending prediction model was obtained by combining the load-deflection model in the bending stage and the rebound stage. The correctness of the theoretical mathematical model was verified by establishing finite element simulations, and the theoretical calculation results were compared with the experimental results. The results showed that the top bend prediction optimization model established in this study had high feasibility and met the machining accuracy requirements.
Multi-omics pan-cancer study of SPTBN2 and its value as a potential therapeutic target in pancreatic cancer
Authors: Chang Hongliang , Chen Hong , Ma Taiheng , Ma Kexin , Li Yi , Suo Lida , Liang Xiangnan , Jia Kunyu , Ma Jiahong , Li Jing , Sun Deguang 
Published: April 2024

AbstractSPTBN2 is a protein-coding gene that is closely related to the development of malignant tumors. However, its prognostic value and biological function in pan-cancer, especially pancreatic cancer (PAAD), have not been reported. In the present study, a novel exploration of the value and potential mechanism of SPTBN2 in PAAD was conducted using multi-omics in the background of pan-cancer. Via various database analysis, up-regulated expression of SPTBN2 was detected in most of the tumor tissues examined. Overexpression of SPTBN2 in PAAD and kidney renal clear cell cancer patients potentially affected overall survival, disease-specific survival, and progression-free interval. In PAAD, SPTBN2 can be used as an independent factor affecting prognosis. Mutations and amplification of SPTBN2 were detected, with abnormal methylation of SPTBN2 affecting its expression and the survival outcome of PAAD patients. Immunoassay results demonstrate that SPTBN2 was a potential biomarker for predicting therapeutic response in PAAD, and may influence the immunotherapy efficacy of PAAD by regulating levels of CD8 + T cells and neutrophil infiltration. Results from an enrichment analysis indicated that SPTBN2 may regulate the development of PAAD via immune pathways. Thus, SPTBN2 is a potential prognostic biomarker and immunotherapy target based on its crucial role in the development of PAAD.
Effects of the three-child policy on the employment bias against professional women: evidence from 260 enterprises in Jiangxi province
Authors: Gao Qun , Zhao Mei , Chen Hengyang 
Published: April 2024

AbstractBased on the samples from 260 enterprises in Jiangxi Province in 2022, this study examines the enterprises’ employment attitudes towards female employees from the perspective of HR managers. Through factor analysis, one-way analysis of variance, product-moment correlation analysis, and multiple regression analysis, this study investigates the female employment bias and its underlying mechanism across five dimensions: employee change, career development bias, policy impact, job competency and gender bias. The research findings confirm the employment bias against professional women by employers. The study reveals that the implementation of China’s three-child policy has exacerbated employment bias against female employees, especially in male-dominated enterprises. It is therefore recommended to provide more preferential policies for such enterprises. Furthermore, job competency has a significant negative correlation with gender employment bias. Continuing education and skills training are effective measures for professional women of childbearing age, particularly those in low-skilled jobs. With the further implementation of the three-child policy, this study anticipates a more challenging employment or promotion prospects for professional women. This study has also indirectly confirmed the employment dilemma of professional women of childbearing age, indicating potential obstacles in achieving the intended outcomes of the three-child policy.
The use of suboptimal antiretroviral therapy when applying for migration to Australia: a case series
Authors: Tran Daniel , Allan Brent , Stratigos Alexandra , O’Donnell Darryl , Heath-Paynter Dash , Cogle Aaron , Ong Jason J. 
Published: April 2024

Background Australia imposes restrictions for people living with HIV (PLHIV) applying for permanent residency (PR), including spending less than AUD51,000 on medical costs over 10 years. Some PLHIV opted for suboptimal and cheaper antiretroviral therapy (ART) regimens to increase their chances of receiving PR. We collated a case series to examine PLHIV on suboptimal ART because of visa issues. Methods We identified all patients applying for a PR in Australia who obtained nevirapine, efavirenz or zidovudine between July 2022 and July 2023 from the Melbourne Sexual Health Centre. Pathology results and records detailing psychological issues relating to the patients’ wishes to remain on suboptimal ART were extracted from clinical records by two researchers. Results We identified six patients with a mean age of 39 years migrating from Asian and European countries. Three patients used efavirenz, and three used nevirapine. All desired to remain on cheaper, suboptimal ART to stay below visa cost thresholds, which they considered to aid favourably with their application. Four displayed stress and anxiety arising from visa rejections, appeal deadlines and the lengthy visa application process. Conclusions Despite access to more effective and safer ART, we identified patients who chose to remain on cheaper ART to improve chances of obtaining an Australian visa, potentially putting their health at risk. We found significant evidence of stress and anxiety among patients. There is a need to review and revise current migration policies and laws in Australia that discriminate against PLHIV and jeopardise public health.
Perceptions of Human Factors and patient safety education in undergraduate healthcare curricula: a pharmacy perspective
Authors: Sheehan P , Fleming A , Joy A , McCarthy S 
Published: April 2024

Abstract

Introduction
A recent systematic review identified a lack of formal patient safety (PS) education in undergraduate healthcare curricula1. Gaps were also identified in relation to teaching of Human Factors (HF) in this context.

Aim
This qualitative study aimed to examine the perceptions of School of Pharmacy faculty at an Irish university relating to PS/HF in undergraduate healthcare education.

Methods
Qualitative semi-structured interviews were conducted with seven School of Pharmacy faculty at an Irish university. Findings from a recent systematic review were used to inform research and interview questions.[1] Sampling was purposive and included lecturers from the disciplines of clinical pharmacy and pharmaceutics. Interviews were conducted, either in person or virtually, then transcribed and anonymised. Reflexive thematic analysis (TA) was chosen as the method of analysis, [2] conducted by the first author with input from the wider research team. Within the reflexive piece of this work was the drive to be informed by the lived experience of participants. In alignment with the principles of reflexive TA, an iterative approach was taken to data collection and analysis.[2] This approach informed a sample size which facilitated in-depth exploration of the topic.

Results
Seven interviews were conducted, and six key themes were derived from the analysis. These are presented in Table 1 along with the identified subthemes.

Conclusion
This study demonstrates gaps relating to HF/PS teaching in undergraduate pharmacy education in the Irish context. Findings of this study indicate that much PS learning is implicit and occurs while students are on clinical placement. Lack of synergy between the academic and clinical settings was identified as a gap. Interprofessional education was identified as a platform which may help bridge this gap. In agreement with previously published literature, there is a need for robust competency frameworks to underpin safety content.[1] These findings will inform future initiatives to develop HF and PS competency in undergraduate healthcare education.
A limitation of this research is that all data were collected at a single university. A strength is that this study captures the lived experience of PS education from the perspective of academic staff at an Irish school of pharmacy which in 2015 made the transition to a new MPharm programme.

References
1. Sheehan P, Joy A, Fleming A, Vosper H, McCarthy S. Human factors and patient safety in undergraduate healthcare education: a systematic review. Human Factors in Healthcare. 2022 Dec 1;2:100019.
2. Braun, V and Clarke, V. Conceptual and design thinking for thematic analysis. Qualitative Psychology. 2022;9(1):3.
Precise capture of circulating endometrial cells in endometriosis
Authors: Wang Shang , Cheng Hongyan , Zhu Honglan , Yu Xiaoming , Ye Xue , Chang Xiaohong 
Published: April 2024

Abstract

Background:
Endometriosis (EM) is a complex benign gynecological disease, but it has malignant biological behavior and can invade any part of the body. Clinical manifestations include pelvic pain, dysmenorrhea, infertility, pelvic nodules, and masses. Our previous study successfully detected circulating endometrial cells (CECs) in the peripheral blood of patients with EM. The purpose of this study is to overcome the limitation of cell size in the previous microfluidic chip method, to further accurately capture CECs, understand the characteristics of these cells, and explore the relationship between CECs and the clinical course characteristics of patients with EM.

Methods:
Human peripheral venous blood used to detect CECs and circulating vascular endothelial cells (CVECs) was taken from EM patients (n = 34) hospitalized in the Peking University People's Hospital. We used the subtraction enrichment and immunostaining fluorescence in situ hybridization (SE-iFISH) method to exclude the interference of red blood cells, white blood cells, and CVECs, so as to accurately capture the CECs in the peripheral blood of patients with EM. Then we clarified the size and ploidy number of chromosome 8 of CECs, and a second grouping of patients was performed based on clinical characteristics to determine the relationship between CECs and clinical course characteristics.

Results:
The peripheral blood of 34 EM patients and 12 non-EM patients was evaluated by SE-iFISH. Overall, 34 eligible EM patients were enrolled. The results showed that the detection rates of CECs were 58.8% in EM patients and 16.7% in the control group. However, after classification according to clinical characteristics, more CECs could be detected in the peripheral blood of patients with rapidly progressive EM, with a detection rate of 94.4% (17/18). In total, 63.5% (40/63) of these cells were small cells with diameters below 5 μm, and 44.4% (28/63) were aneuploid cells. No significant association was found between the number of CECs and EM stage.

Conclusion:
The number and characteristics of CECs are related to the clinical course characteristics of patients with EM, such as pain and changes in lesion size, and may be used as biomarkers for personalized treatment and management of EM in the future.