bluuebunny/crossref_metadata_2025_split huggingface dataset:
First principles molecular dynamics simulation and thermal decomposition kinetics study of CL-20
Authors: Wu Jia , Hu Jianbo , Liu Qiao , Tang Yan , Liu Yonggang , Xiang Wei , Sun Shanhu , Suo Zhirong 
Published: December 2023

Abstract
Context
2,4,6,8,10, 12-hexanitro-2,4,6,8,10, 12-hexazepane (CL-20) is a new energetic material with high performance and low sensitivity. In-depth study of the thermal decomposition mechanism of CL-20 is a necessary condition to improve its performance, ensure its safety and optimize its application. On the basis of a large number of empirical force fields used in molecular dynamics simulation in the past, the machine learning augmented first-principles molecular dynamics method was used for the first time to simulate the thermal decomposition reaction of CL-20 at 2200 K, 2500 K, 2800 K, 3000 K isothermal temperature. The main stable resulting compounds are N2, CO2, CO, H2O, H2, where CO2 and H2O continue to decompose at higher temperatures. The initial decomposition pathways are denitration by N-N fracture, ring-opening by C-N bond fracture and redox reaction involving NO2 and CL-20. After ring opening, two main compounds, fused tricyclic pyrazine and azadicyclic, were formed, which were decomposed continuously to form monocyclic pyrazine and pyrazole ring structures. The most common fragments formed during decomposition are those containing two, three, four, and six carbons. The formation rule and quantity of main small molecule intermediates and resulting stable products under different simulated temperatures were analyzed.
Methods
Based on ab initio Bayesian active learning algorithm, CL-20 is predicted with high efficiency and accuracy by means of the dynamic machine learning function of Vienna Ab-initio Simulation Package (VASP), and the machine learning force field obtained from trajectory learning is applied to the AIMD calculation of CL-20 supercells. PAW pseudopotentials and generalized gradient approximation (GGA), namely Perdew-Burke-Ernzerhof (PBE) functional, are used in the calculation. The plane wave truncation energy (ENCUT) is set to 550 eV, and using the Gaussian broadening, the thermal broadening size of the single-electron orbital is 0.05 eV. A van der Waals revision of the system with Grimme Version 3. The energy convergence accuracy (EDIFF) of electron self-consistent iteration is set to 1E-5 eV and 1E-6 eV, respectively. The two-step structure optimization is carried out using 1×1×1 k point grid and conjugate gradient method. The ENCUT was changed to 500 eV and EDIFF to 1E-5 eV, NVT integration (ISIF = 2) of Langevin thermostat was used for machine learning force field training and AIMD simulation of the system.
Aβ42 and ROS Dual-targeted Multifunctional Nanocomposite for Combination Therapy of Alzheimer’s Disease
Authors: Zhang Liding , Cao Kai , Xie Jun , Liang Xiaohan , Luo Qingming , Luo Haiming 
Published: December 2023

Abstract
Amyloid-β (Aβ) is prone to misfolding into neurotoxic aggregates that generate high levels of reactive oxygen species (ROS), leading to progressive oxidative damage and ultimately cell death. Therefore, simultaneous inhibition of Aβ aggregation and scavenging ROS may be a promising therapeutic strategy for alleviating Alzheimer’s disease pathology. Based on the previously developed antibody 1F12 that can target all forms of Aβ42, we developed an Aβ42 and ROS dual-targeted nanocomposite using biodegradable mesoporous silica nanoparticles as a carrier to load ultra-small cerium oxide nanocrystals (bMSNs@Ce-1F12). With the modification of brain-targeted rabies virus glycoprotein 29 (RVG29-bMSNs@Ce-1F12), this intelligent nanocomposite can efficiently target brain Aβ-rich regions. Combined with peripheral and central nervous system therapy, RVG29-bMSNs@Ce-1F12 can significantly alleviate AD symptoms by inhibiting Aβ42 misfolding, accelerating Aβ42 clearance, and scavenging ROS. Furthermore, this synergistic effect of ROS scavenging and Aβ clearance exhibited by this Aβ42 and ROS dual-targeted strategy also reduced hyperphosphorylated tau burden, alleviated glial cell activation, and ultimately improved cognitive function in APP/PS1 mice. Our findings suggest that RVG29-bMSNs@Ce-1F12 is a promising nanodrug that facilitates multi-target therapy in AD.
Effect of lymphovascular invasion on survival and recurrence after liver transplantation in patients with hepatocellular carcinoma and its prognostic significance
Authors: Batı Bakır , Tüysüz Umut 
Published: December 2023

Abstract
objectives
One of the important characteristics of Hepatocellular carcinoma (HCC) is that it features multicentric recurrences that can recur after curative treatment. The current recommended curative treatments for HCC include liver transplantation (LT). Prognostic evaluation and selection of appropriate treatment are crucial in the management of HCC patients. These often include tumor size and number, lobar distribution, multinodularity, α-fetoprotein (AFP) level, degree of tumor differentiation, vascular invasion and satellite nodule.However, the prognostic value of intrahepatic lymphatic vessel invasion (LVI) has rarely been reported for liver cancers.
Methods
From January 2012 - December 2020 a total of 178 consecutively HCC patients who underwent liver transplantationwere retrospectively enrolled. The HCC patients who underwent liver transplantation were divided into two groups based on having or not having lymphatic vessel invasion. The primary aim was to compare the two groups for overall survival (OS), disease free survival (DFS) and recurrence rates, and to evaluate the prognostic effect of LVI after transplantation.
Results
Predicted survival period and redicted DFS was significantly lower in the LVI group. Recurrence and mortality rates were significantly higher in the LVI group group. In the multivariate reduced model ,LVI had significant independent effects on OS and DFS
Conclusion
Results has demonstrated the prognostic value of LVI in different stages of HCC except for the advanced stages. LVI was an independent prognostic factor for recurrence, OS and DFS in transplant recipients for HCC.
Clinical Characteristics and Management of Aborted Sudden Cardiac Arrest in Children: How is The Situation in Developing Countries?
Authors: Sisko Sezen Gulumser , Sulu Ayse , Kafali Hasan Candas , Tanriverdi Dogan Cagri , Kamali Hacer , Karacan Mehmet , Haydin Sertac , Guzeltas Alper , Ergul Yakup 
Published: December 2023

Abstract
Purpose
Sudden cardiac arrest (SCA) in children is very rare, it has various causes. In this study, we provided an overview of SCA survivors and evaluated investigations for aetiology with management in our center.
Methods
We identified 59 pediatric patients with aborted SCA (aSCA) only documented by the healthcare professionals (emergency physician, pediatrician, and pediatric cardiologist) between March 2010 and December 2021. Clinical history, non-invasive and invasive diagnostic tests and therapies were noted from FileMaker® Database.
Results
The mean ± standard deviation age of patients was 9,6 ± 5.5 years (2 month-21 years) and 55.9% were male. Echocardiography and other imaging tests revealed structural heart disease (group 1) in 18 patients (30.5%). 37 patients (62.8%) had electrical heart disease (group 2) and no cause was found in the remaining four patients (Table 1). Hypertrophic cardiomyopathy was the most common cause (4/18, 22%) in the first group. Long QT syndrome (LQTS) was the most common cause (12/17, 32.4%) in the second group. 46 patients (78%) had SCA as the first manifestation of heart disease. While SCA occurred with exertion in 14 patients (23.7%), SCA developed in 38 patients (64.7%) at rest. According to the information obtained from the data, the most common documented cardiac arrest rhythm was ventricular fibrillation in 15 patients (25.4%). The median intensive care unit follow-up period of survivors after sudden cardiac arrest was 7 days (2–46 days). Neurological sequelae remained in 10 (16.9%) patients after aSCD. 15 patients (25.4%) underwent electrophysiological study and/or ablation. ICD implantation was performed in 44 (74.6%) patients (29 transvenous, 14 epicardial, 1 cardiac resynchronization therapy-defibrillator (CRT-D)). ICD was not implanted in 15 patients. Of these, 7 patients did not require ICD due to definitive treatment (successful ablation therapy, surgical coronary reimplantation, pacemaker implantation). ICD could not be inserted because 4 patients died. 4 patients and their families refused ICD. The median follow-up duration for patients was 1091 days (range: 15–4225 days). 9 patients (15.3%) died during the follow-up.
Conclusions
The etiology of aSCA is very variable and present at any age. Detailed non-invasive and invasive investigations are crucial in revealing the diagnosis. Appropriate treatment and secondary preventive ICD implantation are life-saving route for selected SCA survivors. In our country, there is a need to increase basic life support training, use of automatic external defibrillators in public spaces and develop genetic research.
An efficient deep learning approach for human hand gesture recognition
Authors: Haq Ejaz Ul , Wuttisittikulkij Lunchakorn , Vanichchanunt Pisit 
Published: December 2023

Abstract
The bodily motion of human hand generates different gestures which are considered as non-verbal communication to convey a message to receivers. Human hand gestures have wide real-time applications in different areas, i.e., human-computer interactions (HCI), robot automation, household control, gaming, medical fields, and a major way of communication between deaf peoples. Various novel and innovative methods are used for hand gestures identification and recognition. In this paper, a systematic approach based on deep convolutional neural network (CNN) is developed for the identification and recognition of human hand gestures. The process pipeline of the proposed approach is a) segmentation of hand’s region of interest from image b) features extraction c) recognition of gestures based on CNN classifier. The proposed method is tested and verified on open access hand dataset. Experimental results validate the effectiveness and robustness of our proposed approach in terms of hand gestures recognition. Moreover, our methods achieved better recognition performance and outperformed well-known state-of-the-art gestures recognition methods.
Metabolic and cardiovascular disease risk for Zimbabwean men with prostate cancer receiving long-term androgen deprivation therapy
Authors: Mazhindu Tinashe , Ndlovu Ntokozo , Borok Margaret Z. , Meki Shingirirai , Nyamhunga Albert , Havranek Edward P. , Kessler Elizabeth R. , Campbell Thomas B. , Flaig Thomas W. 
Published: December 2023

Abstract

Introduction:Prostate cancer is a leading cause of cancer-related mortality in the majority of sub-Saharan Africa region countries. Androgen deprivation therapy (ADT) is effective treatment, however ADT is associated with complications including metabolic syndrome and cardiovascular disease. Although cardiovascular disease is a leading cause of mortality among prostate cancer patients, there is limited information on ADT impact on metabolic syndrome and cardiovascular disease risk among Africans. An observational prospective cohort study was carried out in Harare, Zimbabwe. Prostate cancer patients due to be initiated on ADT (medical or surgical) were assessed for metabolic syndrome and a 10-year Atherosclerotic Cardiovascular Disease (ASCVD) 10-year risk probability score was done before ADT and followed up to 9 months.Results:17 black Zimbabwean men were enrolled with a median age 72 years. Most participants (59%) had stage IV disease and 75% opted for surgical castration. At enrolment 23.5% had metabolic syndrome and this increased to 33% after 9 months of ADT. Baseline ASCVD risk was in the high risk category for 68.8% of participants and remained above 50% after 9 months of ADT. In this cohort, there is a 10% absolute increase in metabolic syndrome prevalence amongst African men with prostate cancer within 9 months of ADT initiation.
Assessing the Influence of Demographic Factors and Functional Independence on Disease Risk among Home-Dwelling Chinese Elders Aged 80 and Over: A Cross-Sectional Study
Authors: Bian Sensen , Tian Xiaobing , Xu Chunjie , Zhao Yan , Gao Qian 
Published: December 2023

Abstract

Background
Ensuring top-quality care for the elderly necessitates a deep understanding of the elements influencing the health and self-sufficiency of those over 80, especially those residing in their own homes.
Aim
The study identifies key health influencers in Chinese home-dwelling individuals over 80, informing public health and medical care strategies.
Methods
The study analyzed 13,027 elderly individuals Activities of Daily Living (ADL) by the Barthel Index (BI), focusing on how demographic factors affect their health outcomes, employing logistic regression analysis to contribute insights into geriatric healthcare.
Results
Results show that in individuals over 80, chronic disease prevalence is significantly influenced by factors like age, occupation, location, marital status, education, income, and insurance (p<0.01). Female participants (Hazard Ratio (HR）= 0.858(0.787-0.935) had a lower risk of chronic diseases, while divorced individuals (HR= 1.839 (1.047-3.228) had a higher risk. Education level and income source also influenced disease risk. Insurance with “New Rural"(HR=3.407 (2.773-4.187) and "Urban Resident" (HR=2.872 (2.471-3.339) participants had higher risks. Mobility Issues stand out as having a substantial negative effect, significantly reducing the likelihood of self-sufficient or mildly dependent (HR=0.579 (0.427, 0.786)) and increasing the risk of severely dependent (HR= 1.649 (1.175, 2.315)).
Discussion
The study finds that factors like age, occupation, and lifestyle strongly impact chronic diseases in the elderly, highlighting the need for personalized healthcare for those at higher risk.
Conclusions
This analysis explores how demographic and clinical factors influence the health and independence of elderly Chinese individuals aged 80 and above, with potential implications for their healthcare needs.
Structural diversity and carbon sequestration of forest stands. Tradeoff as modified by silvicultural thinning
Authors: Pretzsch Hans , Hilmers Torben 
Published: December 2023

Abstract

In forest management, merging stand structure diversity with carbon storage is essential for resilience and climate mitigation. This study assesses (i) how structure diversity in stands of spruce (Picea abies (L.) H. Karst.), pine (Pinus sylvestris L.), beech (Fagus sylvatica L.), and oak (Quercus robur L. and Quercus petraea (Matt.) Liebl.) varies with age, site quality, and applied thinning grade; (ii) these factors' impact on carbon stock; and (iii) the link between structure diversity and carbon stock. Analyzing 26 long-term thinning experiments, we used the Gini coefficient of tree heights to measure structural diversity and species-specific biomass functions for carbon stock assessments. Our results show structure diversity, highest in beech and spruce, decreases with stand age and on richer sites. Thinning enhances structure diversity in spruce and beech but reduces it in pine and oak. Unthinned or only moderately thinned mature spruce and beech stands outperform pine and oak in carbon stock (200–300 vs. 100–150 MG C ha-1). C- and D&E-grade thinning halves carbon stock. A decrease in vertical layering with increased carbon storage varies across species. Given the same carbon stock, thinning from above maintains structure diversity in spruce and beech, while non-thinning or thinning from below promotes structure diversity in pine and oak. We argue that reduced thinning in previously D&E-grade thinned stands may reduce structural diversity but improve carbon storage (+ 100–200 MG C ha− 1) of the four considered species in the next 3–5 decades. We discussed options for reconciling structural diversity and carbon storage by silvicultural management.
Determination of Optimal Parameters for GPS Cycle Slip Detection Algorithm
Authors: Ogaja Clement , Bilich Andria , Bennett Richard A. 
Published: December 2023

Abstract
Accurate detection of cycle slips is vital for geodetic GNSS-based positioning with carrier phase data, and for the quality control of GNSS data processing for various applications. Typically, cycle slip detection algorithms use certain parameters, such as a scale factor of the root-mean-square (RMS) of residuals of linear combinations and an ionospheric threshold value, to flag potential cycle slips. The performance of an algorithm will depend on the values assigned for such parameters. It is important that the parameter values are optimized such that the algorithm minimizes the rates of both missed slips and false detections. In this paper we evaluate two parameters (a scale factor, k, of Melbourne-Wübbena and ionosphere free residual RMS and an ionospheric residual threshold, h) to determine their optimal values for cycle slip detection. We show that in the worst-case scenario involving only small slips of magnitudes ranging from 1 to 3 cycles, there is an optimal range of values which resulted in 93 to 97% success rate without any false detections. For the data quality considered in this study, we recommend an RMS scale factor of k = 6 and an ionospheric residual threshold of h = 0.3 as the optimal values for the cycle slip detection with at least 97% success rate. In the absence of formal confidence limits, we note that combinations of values in the range of 6 ≤ k ≤ 8 and 0.3 ≤ h ≤ 1.0 resulted in at least 90% success rate with zero false detections, which gives some indication of the sensitivity of the algorithm’s performance to the specific choice of the parameter values.
Dissimilar transient liquid phase bonding of Ti-6Al-4V alloy to Inconel 625 superalloy: Effect of bonding temperature on microstructural evolutions and mechanical properties
Authors: Zorriatolhosseini Behnam , Mirsalehi Seyyed Ehsan , Shamsi Faezeh 
Published: December 2023

Abstract

The present study investigated the effect of bonding temperature on the dissimilar transient liquid phase (TLP) bonded IN-625/Ti-6Al-4V dissimilar joints using a thin foil of pure copper as the interlayer. The samples were bonded in a vacuum chamber at 900, 930, and 960°C for 60 min. The results indicated the occurrence of different intermetallic compounds such as Ti2Cu, TiCu2, TiCu, NiTi, and Ni3Ti at different bonding temperatures, and it was concluded that in all the samples, isothermal solidification was accomplished. Maximum shear strength of 278 MPa was achieved at 930 ℃. At lower bonding temperatures, the presence of porosities and cracks decreases the shear strength. At higher temperatures, a high-volume percentage of intermetallic compounds embrittled the specimen and reduced its shear strength. The results of scanning electron microscopy of the fracture surfaces revealed the formation of extensive cleavage fracture and river-like patterns in all samples, indicating a brittle failure mode.
Feasibility and usefulness of cognitive monitoring using a new home-based cognitive test in mild cognitive impairment: A prospective single arm study
Authors: Lee Kyung Won , Hong Yun Jeong , Yang Eun Jin , Lee Si Baek , Kim Seong Hoon , Na Seunghee , Kim Young-Do , Park Jeong Wook 
Published: December 2023

Abstract
Background: The risk of dementia is increased in subjects with mild cognitive impairment (MCI). Despite the plethora of in-person cognitive tests, those that can be administered over the phone are lacking. We hypothesized that a home-based cognitive test (HCT) using phone calls would be feasible and useful in non-demented older adults. We aimed to assess feasibility and validity of a new HCT as an optional cognitive monitoring tool without visiting hospitals.
Methods: Our study was conducted in a prospective design during 24 months. We developed a new HCT consisting of 20 questions (score range 0–30). Participants with MCI (n = 38) were consecutively enrolled and underwent annual follow-ups during 24 months. Associations between HCT scores and in-person cognitive scores and Alzheimer’s disease (AD) biomarkers were evaluated. In addition, HCT scores in MCI participants were cross-sectionally compared with age-matched cognitively normal (n = 30) and mild AD dementia (n = 17) participants for discriminative ability of the HCT.
Results: HCT had good intra-class reliability (test-retest Cronbach’s alpha 0.839). HCT scores were correlated with the Mini-Mental State Examination (MMSE), verbal memory delayed recall, and Stroop test scores but not associated with AD biomarkers. HCT scores significantly differed among cognitively normal, MCI, and mild dementia participants, indicating its discriminative ability. Finally, 32 MCI participants completed annual follow-up evaluations, and 8 progressed to dementia. Baseline HCT scores in dementia progressors were lower than those in non-progressors (p = 0.001).
Conclusion: The feasibility and usefulness of the HCT were demonstrated in older adults with MCI. HCT could be an alternative option to monitor cognitive decline in early stages without dementia.
Determinants of khat use among pregnant women attending antenatal care at Jimma town public hospitals Southwest Ethiopia,2022.
Authors: Genna Kedir Mohammed , Girma Shimelis , Soboka Matiwos , Alemu Bezaye 
Published: December 2023

Abstract

Background
Khat (Catha edulis) is a fresh green leaf commonly chewed for its stimulating effects. Khat chewing is rising at an alarming rate and adversely affects biological, social or psychological complications causing adverse pregnancy outcomes negatively affecting the health of the mother and the fetus. Although evidence has indicated significant prevalence of khat chewing, there is limited study on determinants of khat use among pregnant women.
Objective
To assess determinants of khat use among pregnant women attending antenatal care at Jimma town public hospitals, 2022.
Methods
Institutional based unmatched case-control study design was employed in Jimma town public hospitals from September 1 to October 30, 2022. Sample size was determined by Statcal version 7 of Epi Info and a total of 300 study participants were selected. A consequative sampling method was used. Cases and controls were proportionally allocated for each hospital. Data was collected through face-to-face interviews with pregnant women attending antenatal care (ANC) using a structured questionnaire. The data was checked, coded, and entered into EpiData version 4.6 and then exported to SPSS version 25 for analysis. Descriptive statistics, bivariable, and multivariable logistic regression were computed. The odds ratio and 95%confidence level was used to measure the strength of the association. Predictor variables with a p-value of less than 0.05 in the multivariable logistic regression analysis was taken as statistically significant determinant factors for pregnant women.
Results
A total of 300 respondents, 100 cases and 200 controls participated in the study. Income below poverty line (AOR = 2.33; 95%CI: 1.32–4.11), occupation being housewife (AOR = 3.42; 95%CI: 1.50–7.82), mental distress (AOR = 2.49; 95%CI: 1.39–4.50), pre-pregnancy khat use (AOR = 2.67;95%CI:1.42–5.00), partner khat use (AOR = 4.23; 95%CI: 2.34–7.65) and presence of producers/sellers in home (AOR = 2.01; 95%CI: 1.13–3.66) were found to be independent predictors of khat use in pregnant women.
Conclusion
The study revealed that khat use results from multiple factors. Therefore, it is important to integrate the prevention, early identification and intervention of khat use as component of treatment modality for pregnant women with their partner during antenatal visit.