bluuebunny/crossref_metadata_2025 huggingface dataset:
The Theoretical Framework on Approximations of Neutrosophic Numbers and its Application
Authors: Kurian Augus , R SUMATHI I
Published: November 2023

Neutrosophic sets are effectual logic represented to understand ambiguous and inconsistent information. They are frequently used to explain many types of partial or incomplete information. Researchers have given much attention to the decision-making theory and its associated methodologies based on uncertain linguistic factors. This article emphasizes the novel neutrosophic number approximations to handle linguistic variables and their application in multiple-attribute decision-making. Different approximation techniques are introduced in neutrosophic sets, but substantial data loss may occur. Hence hexagonal neutrosophic number was proposed to deal with information loss during approximation. Also, the comparisons study with existing techniques is explored to show the effectiveness of proposed approximation. The expected interval criterion was retained although approximation was made to give more desirable features. An MCDM (Multi-Criteria Decision Making) problem is presented to demonstrate efficiency and simplicity with uncertain parameters.
Development of an implementation intervention to integrate the use of health innovations in routine practice: an insulin patient decision aid as an exemplar
Authors: Tong Wen Ting , Lee Yew Kong , Ng Chirk Jenn , Lee Ping Yein
Published: November 2023

Background
Implementation, which is defined as the process of getting evidence-based innovation to be utilised is critical in ensuring innovation is being integrated into real-world practice. The way an implementation intervention (i.e., a bundle of strategies to facilitate implementation) is developed has an impact on the types of strategies chosen, and whether they are relevant to the implementation setting to exert their effects. However, literature pertaining to development of intervention or detailed descriptions of implementation processes are scarce. This study aims to report the development of an implementation intervention to integrate the use of an evidence-based innovation in routine practice, using a Malaysian insulin patient decision aid (PDA) as an exemplar.
Methods
The development of the insulin PDA implementation intervention was divided into two phases, incorporating step 3 and 4 of the Action Cycle in the Knowledge to Action framework. In Phase 1, barriers to the insulin PDA implementation was explored through qualitative interviews using an interview guide developed based on the Theoretical Domains Framework. In Phase 2, prioritisation of the barriers was conducted using the multivoting technique. Next, potential strategies that can address the barriers were identified based on understanding the clinic context, and evidence from literature. Then, the selected strategies were operationalised by providing full descriptions in terms of its actor, action, action target, temporality, dose, implementation outcome affected, before they were embedded into the patient care pathway in the clinic. The implementation intervention was finalised through a clinic stakeholders meeting.
Results
Through a systematic implementation intervention development process, a tailored implementation intervention was developed comprising 11 strategies selected to address 13 barriers to the implementation of the insulin patient decision aid.
Conclusion
This study adds to the dearth body of literature on the implementation intervention development process for PDA implementation, and for implementation of health innovations in general. Future implementers can adapt, or replicate the steps described when developing implementation intervention. The processes described can be compared with other intervention development methods in order to advance the field of implementation of evidence-based innovations.
Efficient and Accurate Estimation of Pharmacokinetic Maps from DCE-MRI using Extended Tofts Model in Frequency Domain
Authors: KRISHNAPPA KRUTTHIKA HIREBASUR , Trivedi Sudhir Kumar
Published: November 2023

Using an intravenous contrast agent, dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI) is a commonly used technique for the non-invasive identification and therapeutic monitoring of various disorders. Applying compartmental models pertinent to the pathophysiology of the tissue being studied will enable the quantification of Pharmacokinetic (PK) maps. Integrating time-concentration data into these models in the time domain is the traditional way of determining PK parameters. Although the fitting problem is two-dimensional, this approach suffers from a dimensionality problem, which may be highly computational and lengthy. The Extended Tofts Model in Frequency Domain (ETM-FD) is derived as a convolution-free model from this research's standard comprehensive Tofts Model in Time Domain (ETM-TD). This method decreases the complexity of the curve fitting problem from two to one, minimizes computing time, and allows radiologists to evaluate PK maps within a clinical context. The ETM-FD and ETM-TD procedures were employed to both types of in silico phantoms to verify their resilience, and the Pearson correlation coefficient was calculated to compare with ground truth values. The results indicated that r2 = 1 values were achieved for both ETM-TD and ETM-FD, proving the approach's effectiveness. According to our findings, the ETM-FD took 24–25% less computing time to compute PK maps than the ETM-TD. The computing power of the ETM-FD technique makes it a suitable tool for analyzing three-dimensional and more thorough coverage of the tissue of interest. The ETM-FD technique is especially effective in clinical situations where determining PK maps swiftly and precisely is crucial for patient care. The ETM-FD, which is computationally effective, reliable, and capable of producing precise and real-time PK maps, is a promising method for PK parameter estimation from DCE-MRI data. Our findings demonstrate that this strategy has the potential to assist radiologists in making clinical decisions and enhance patient care.
What makes the effect of protein mutations difficult to predict?
Authors: Redestig Henning , Flier Floris van der , Estell David , Pricelius Sina , Dankmeyer Lydia , Thans Sander van Stigt , Mulder Harm , Otsuka Rei , Goedegebuur Frits , Lammerts Laurens , Staphorst Diego , Dijk Aalt D.J. van , de Ridder Dick
Published: November 2023

Protein engineering increasingly relies on machine learning models to computationally pre-screen variants to identify those that meet the target requirements.
Although machine learning approaches have proven effective, their performance on prospective screening data has room for improvement. Prediction accuracy can vary greatly from one variant to the next. So far, it is unclear what characterizes variants that are associated with large model error. We designed and generated a dataset that can be stratified based on four structural characteristics (buriedness, number of contact residues, proximity to the active site and presence of secondary structure), to answer this question. We found that variants with multiple mutations that are buried, closely connected with other residues or close to the active site, which we call challenging mutations, are harder to model than their counterparts (i.e. exposed, loosely connected, far from the active site). This effect emerges only for variants with multiple challenging mutations, since single mutations at these sites were not harder to model. Our findings indicate that variants with challenging mutations are appropriate benchmarking targets for assessing model quality and that stratified dataset design can be leveraged to highlight areas of improvement for machine learning guided protein engineering.
Migration and transformation of heavy metals in boxwood sawdust biochar derived under different pyrolysis temperatures
Authors: Ma Junli , Qiu Chunsheng , Liu Qikai , Li Fei , Wang Jinkun , Wang Chenchen , Liu Nannan , Wang Shaopo
Published: November 2023

In this study, biochar was prepared from boxwood sawdust under oxygen-limited conditions at 300, 400, 500, 600, 700 and 800 oC, respectively. The effects of different pyrolysis temperatures on the biochar physicochemical properties, migration and transformation of heavy metals (Cu, As, Ni, Cr and Pb) in the derived biochar were investigated. The results showed that the yield decreased, the ash content and pH of derived biochar increased with the increasing temperatures. The specific surface area of biochar was maintained at about 300 m2/g when the pyrolysis temperature was over 600 oC, and the highest total pore volume reached 2.0956 cm3/g− 1 at 800 oC. The concentrations of Cu, As, Cr and Pb increased by 20.35%-202.37% after pyrolysis. Meanwhile, heavy metals in bioavailable faction were partially transformed into relatively stable fractions with the increasing temperature. Furthermore, the potential environmental risks of heavy metals were reduced in the biochars derived at high temperature.
Inhibition of adenoid cystic carcinoma cell proliferation and migration through autophagy inhibition via GLUT1 knockdown
Authors: Liu Kan , Zhu Jin-Long , Bao Yang-Yang , Fang Jin , Zhou Shui-Hong , Fan Jun
Published: November 2023

Background
Multiple studies have demonstrated a strong association between glucose transporter-1 (GLUT1) and the development and recurrence of adenoid cystic carcinoma (ACC). Here, we investigate the effect of GLUT1 knockdown in adenoid cystic carcinoma.
Methods
The effect of hypoxic on progression and autophagy of SACC83 and SACC-LM cell lines was examined by flow cytometry, Transwell assay and fluorescence microscopy. GLUT1 expression was inhibited by using siRNA. ACC tumor-bearing model mice were treated with lentivirus delivering either GLUT1 shRNA or an autophagy inhibitor (chloroquine).
Results
Hypoxic conditions increased progression and autophagy of SACC83 and SACC-LM cell lines. The hypoxic effect was attenuated upon GLUT1 knockdown. In vivo, lentivirus delivering GLUT1 shRNA combined with CQ had the greatest inhibitory effect on tumor volume, weight, Ki67 expression and autophagy in tumor tissues.
Conclusions
Hypoxia can promote ACC progression by upregulating GLUT1 expression. Inhibition of GLUT1 expression and autophagy led to the suppression of ACC cell proliferation both in vitro and in vivo.
Anoikis-related Genes Impact Prognosis and Tumor Immune Microenvironment in Bladder Cancer
Authors: Zhang Tao , Qu shanna , Wang Longsheng
Published: November 2023

Anoikis tolerance is an important biological process of tumor colonization and metastasis outside the primary tumor. In recent years, the role and mechanism of anoikis in tumor metastasis have been continuously clarified in different solid tumors. However, the mechanism of anoikis in bladder cancer and its impact on the immune microenvironment is still unclear. We established a 5-gene anoikis score (EVT7, NGF, SCD, LAMC1, and CASP6) and divided them into high and low-risk groups according to the median score based on the TCGA database. We also found that SCD can promote the proliferation of Bca cells in vitro. Combining anoikis score and clinicopathological characteristics to construct a prognostic nomogram can well predict the prognosis of patients. In the analysis of immune cells, it was found that the infiltration of Treg cells and M2 macrophages increased in the high anoikis group, while the infiltration of CD8 T cells decreased. This study evaluates the role of anoikis score in predicting patient prognosis, immune cell infiltration, and drug response, which may provide potential directions for the treatment of bladder cancer.
Mechanical properties of high-performance concrete with a hole under triaxial compression
Authors: Zhang Yanbin , Zhang Shoufeng , Wang Zhe
Published: November 2023

Holes are often reserved in concrete for holding cables and other industrial facilities. In order to ensure the safe application of high-performance concrete (HPC) members in a state of three-dimensional compression, it is of great significance to research the effect of holes on the mechanical properties of HPC under triaxial compression. However, there have been no previous studies on the triaxial compressive mechanical properties of HPC with holes. In this paper, HPC with a hole are experimentally studied under triaxial compression. The stress-strain curves, the strength, and the failure mechanisms of HPC are obtained. The experiment results show that both the confining pressure and the hole size jointly influence on the mechanical properties of HPC. Moreover, the Power-law failure criterion is modified to eludidate the relationship between the triaxial compressive strength of HPC and the hole size. In addition, the stress averaging method is firstly introduced to predict the sidewall failure of the hole in concrete, and the experimental results are used to modify the stress averaging method. The results show that the modified method can accurately predict the sidewall failure of the hole, and both the decrease of the confining pressure and the increase of the hole size are conducive to failure of the hole. This study makes up for the blank of the research of HPC with holes under triaxial compression, and presents an effective method to predict the failure of the hole.
Complications and Management of Inadequate Aortic Remodeling Following Elephant Trunk Surgery in Stanford Type A Aortic Dissection: A Case Report
Authors: Tang Chuanbin , Zou Yanqiang , Song Yu , Zhang Chao , Wu Long
Published: November 2023

Background: This case report describes a rare complication encountered in a 37-year-old male patient with subacute Type A aortic dissection.
Case presentations: The patient underwent a Bentall procedure, total arch replacement, descending thoracic aorta elephant trunk stent implantation, mitral valve repair, and tricuspid valve repair. Postoperatively, the patient exhibited poor blood flow in the lower extremities and kidneys. Digital Subtraction Angiography (DSA) revealed an angulation and stenosis at the proximal end of the elephant trunk stent, leading to inadequate blood supply. Balloon angioplasty and stent graft implantation were performed using a Thoracic Endovascular Aortic Repair (TEVAR) approach to restore blood flow.
Conclusions: The case highlights the importance of prompt diagnosis and the effectiveness of TEVAR in addressing inadequate aortic remodeling.
The efficacy and safety of continuous intravenous infusion of rh-endostatin combined with platinum-based doublet chemotherapy for advanced non-small-cell lung cancer
Authors: Liu Xinyi , Guo Zihan , Zuo Anli , Ji Xiang , Gao Min , Jiang Yunxiu , Yang Shuran , Lu Degan
Published: November 2023

Background
Platinum-based doublet chemotherapy is the current standard first-line treatment for patients with driver-gene-negative advanced non-small-cell lung cancer (NSCLC). However, its recurrence rate is relatively high. Accumulating evidence suggests that the addition of antiangiogenic agents to platinum-based chemotherapy can improve the survival outcomes for NSCLC patients. However, the optimal administration protocol for intravenous recombinant human endostatin (rh-endostatin), an antiangiogenic agent, remains uncertain at present.
Aim
This study aims to investigate the efficacy and safety of 5-d continuous intravenous infusion of rh-endostatin in combination with chemotherapy for patients with advanced NSCLC. The predictive biomarkers for this treatment regimen were further probed.
Methods
This prospective, single-arm multicenter study enrolled a total of 48 patients with advanced NSCLC who were histologically or cytologically confirmed but had not received any prior treatment from February 2021 to July 2022. Prior to chemotherapy, the patients received a continuous intravenous infusion of rh-endostatin (210mg) over a period of 120 hours, using an infusion pump. The chemotherapy regimen consisted of platinum in combination with either pemetrexed or paclitaxel, administered in cycles of 21 days. The primary endpoint of the study was progression-free survival (PFS), and the secondary endpoints included objective response rate (ORR), disease control rate (DCR), overall survival (OS), and assessment of adverse events (AEs).
Results
The median PFS (mPFS) was 6.7 months, the median OS (mOS) was 12.1 months, the ORR was 52.1%, and the DCR was 79.2%. The most common adverse effects were leukopenia (52.1%), anemia (33.3%) and thrombocytopenia (20.8%). These toxicities were deemed acceptable and manageable. In addition, we observed a correlation between higher serum carcinoembryonic antigen (CEA) levels and shorter PFS and OS.
Conclusions
The combination of a 5-day continuous intravenous infusion of rh-endostatin with chemotherapy demonstrated both safety and efficacy for the treatment of advanced NSCLC. Additionally, we found that baseline serum levels of CEA may serve as a predictor of the efficacy of rh-endostatin plus chemotherapy in NSCLC patients.
Open data for energy networks: Introducing DAVE - a data fusion tool for automated network generation
Authors: Banze Tobias , Kneiske Tanja
Published: November 2023

Developing a sustainable energy system for the future requires new ways of planning and operating energy infrastructure. A large part of this involves suitable network models. Real network data is not available for research without restrictions since energy networks are part of the critical infrastructure. Using open datasets and expert rules to generate non-restricted models is one solution to this. This paper introduces open data for energy networks generated by the open-source software “DAVE”. The Python-based data fusion tool DAVE can automatically generate customised energy network models quickly and on demand. The software collects data from various databases and uses appropriate methods to fuse them. The current version of the tool can create GIS-based power networks and gas transportation networks, with output that is compatible with common network simulation software. Further developments are planned for creating thermal and gas distribution networks, as these are important for local heat power transition. Implementing a quality description for fused data sets will also be included in future development.
Desloratadine-Loaded Flexible Orally Dissolvable Tablets Made of Electrospun Fiber Mats
Authors: Azizoğlu Gülçin Arslan , Dönder Buse , İnal Nergis , Azizoğlu Erkan
Published: November 2023

Patient compliance and personalized dose adjustments are important factors, especially in pediatric care. Orodispersible tablets (ODTs) are gaining importance as they increase patient compliance compared to other solid oral dosage forms. ODTs are solid dosage forms that disintegrate within seconds upon contact with a small amount of liquid. However, the main drawback of the ODTs is their brittle nature which requires special packaging and careful handling and use. In this study, flexible ODTs were fabricated with the electrospinning method. The formulation composed of Kollidon 90F and ethanol was selected for desloratadine-loaded fiber fabrication due to its ease of production and reduced electrospinning time. The single-dose fiber mat fabrication time was adjusted to 2 and 4 minutes to obtain a pediatric dose of 2.5 mg and a 5 mg adult dose, respectively. A 3D-printed tablet compression tool was successfully used to transform the electrospun fibers into ODTs. Fabricated ODTs were compared with commercial desloratadine ODTs and the results showed that they both have similar disintegration times. However, ODTs fabricated from electrospun mats demonstrated a distinct advantage in terms of flexibility, as they did not fracture under applied pressure by a texture profile analyzer.
The manufacturing process, along with the utilization of 3D-printed tools, streamlined the production of flexible ODTs and simplified dose adjustments. These advancements hold the potential to facilitate customized therapies for individual patients, thereby enhancing patient compliance, particularly among pediatric populations.
Abortion Timing, Access, and Trajectory Study (ATAS): Study Protocol
Authors: Wallays Anna , de Velde Sarah Van
Published: November 2023

Background
This study protocol outlines the phased construction of a questionnaire, data collection, and a strategy for analysis, within the framework of the ATAS project. The study has two primary objectives. First, it allows us to map the duration of the various phases of the abortion trajectory for women presenting for abortion in Flanders, Belgium. Second, it identifies barriers that cause delays within these phases.
Methods
The questionnaire is presented to all women seeking abortion care in one of the Flemish abortion centers; specifically, the LUNA centers located in Ostend, Ghent, Antwerp, and Hasselt, as well as the VUB-Dilemma center in Brussels during the fall of 2023. Ethical clearance for the described research was obtained from the University of Antwerp's Ethics Committee for the Social Sciences and Humanities (reference numbers: SHW_2023_48_1 and SHW_2023_48_2).
Discussion
The collected data will provide a dataset on abortion trajectories of women presenting for abortion in Flanders. This study protocol outlines the ATAS project’s rationale, the phased development, and implementation of the questionnaire, as well as the upcoming data analyses. To our knowledge, this is the first study within the Flemish context to investigate abortion timing, access, and trajectories. Furthermore, this study protocol provides a phased and systematic approach to adapt validated research instruments to fit within diverse legal and cultural contexts.
Multimodal Biomedical Data Fusion Using Sparse Canonical Correlation Analysis and Cooperative Learning: A Cohort Study on COVID-19
Authors: Er Ahmet Gorkem , Ding Daisy Yi , Er Berrin , Uzun Mertcan , Cakmak Mehmet , Sadée Christoph , Durhan Gamze , Ozmen Mustafa Nasuh , Tanriover Mine Durusu , Topeli Arzu , Son Yesim Aydin , Tibshirani Robert , Unal Serhat , Gevaert Olivier
Published: November 2023

Through technological innovations, patient cohorts can be examined from multiple views with high-dimensional, multiscale biomedical data to classify clinical phenotypes and predict outcomes. Here, we aim to present our approach for analyzing multimodal data using unsupervised and supervised sparse linear methods in a COVID-19 patient cohort. This prospective cohort study of 149 adult patients was conducted in a tertiary care academic center. First, we used sparse canonical correlation analysis (CCA) to identify and quantify relationships across different data modalities, including viral genome sequencing, imaging, clinical data, and laboratory results. Then, we used cooperative learning to predict the clinical outcome of COVID-19 patients. We show that serum biomarkers representing severe disease and acute phase response correlate with original and wavelet radiomics features in the LLL frequency channel (𝑐𝑜𝑟𝑟(𝑋u𝟏, Zv𝟏) = 0.596, p-value < 0.001). Among radiomics features, histogram-based first-order features reporting the skewness, kurtosis, and uniformity have the lowest negative, whereas entropy-related features have the highest positive coefficients. Moreover, unsupervised analysis of clinical data and laboratory results gives insights into distinct clinical phenotypes. Leveraging the availability of global viral genome databases, we demonstrate that the Word2Vec natural language processing model can be used for viral genome encoding. It not only separates major SARS-CoV-2 variants but also allows the preservation of phylogenetic relationships among them. Our quadruple model using Word2Vec encoding achieves better prediction results in the supervised task. The model yields area under the curve (AUC) and accuracy values of 0.87 and 0.77, respectively. Our study illustrates that sparse CCA analysis and cooperative learning are powerful techniques for handling high-dimensional, multimodal data to investigate multivariate associations in unsupervised and supervised tasks.
A Review of the Parallelization Strategies for Iterative Algorithms
Authors: Zhou Xingxing , Ling Ming , Tang Shidi , Zhu Yanxiang
Published: November 2023

Iteration-based algorithms have been widely used and achieved excellent results in many fields. However, in the big data era, data that needs to be processed is enormous in terms of both depth (the dimensionality of data) and breadth (the volume of data). Due to the slowdown of Moore's Law, the computing power of single-core CPUs is becoming saturated. The increase in the computational complexity and the bottleneck of the single-core processor’s speed exacerbate the time-consuming problem of iterative algorithms. With the rise of multi-core computers and distributed computing systems, parallelizing and deploying iterative algorithms on such systems can make full use of computing resources and accelerate iterative computation, providing a new idea for solving the aforementioned problems. However, due to the logical dependency between two consecutive iterations in an iterative algorithm, it is difficult to directly implement the concurrent computation of such algorithms. To this end, many studies have been conducted on the parallelization of iterative algorithms in both academia and industry. This paper aims to conduct an in-depth research and analysis of these parallelization strategies. Firstly, the abstract description and classification of iterative algorithms are given. Then four concurrency strategies for iterative algorithms are summarized, including logical units that can be intrinsically concurrently computed, multi-initial state parallel search strategy, data parallelism, and task parallelism. Finally, the paper detailed the convergence of parallel iterative algorithms, focusing on building the mathematical model of asynchronous iterative algorithms, and summarizing the convergence conditions of asynchronous iterative algorithms.
Application of ultrahigh frequency transcutaneous electrical nerve stimulation for alleviation of neuropathic pain and neuroinflammation modulation in rat sciatic nerve chronic constriction injury
Authors: Chen Szu-Han , Lin Yu-Wen , Tseng Wan-Ling , Lin Wei-Tso , Lin Sheng-Che , Hsueh Yuan Yu
Published: November 2023

A challenging complication in patients with peripheral compressive neuropathy is neuropathic pain. Excessive neuroinflammation and neuropeptide buildup at the injury site worsen neuropathic pain and impair function. Currently, non-invasive modulation like transcutaneous electrical nerve stimulation (TENS) showed therapeutic promise with positive results. However, underlying regulatory molecular mechanism for peripheral neuropathic pain remains complex and unexplored. This study aimed to validate the therapeutic effect of ultrahigh frequency (UHF)-TENS in chronic constriction injury of rat sciatic nerve. The efficacy and safety of UHF-TENS were examined including mechanistical exploration. Alleviation of mechanical allodynia was achieved through the application of UHF-TENS, which lasted for 3 days for a one-session therapy, without additional damage on the myelinated axon structure. Significant reduction of pain-related neuropeptides, MEK, c-Myc, c-FOS, COX2, and substance P, were observed in the injured DRG neurons. RNA sequencing of differential gene expression of the sensory neurons revealed a significant downregulation in Cables, Pik3r1, Vps4b, Tlr7, and Ezh2 after nerve injury, while upregulation was observed in Nfkbie and Cln3. UHF-TENS effectively and safely relieved neuropathic pain without causing further nerve damage. The decreased production of pain-related neuropeptides within the DRG neurons provided the therapeutic benefit. Possible molecular mechanisms by UHF-TENS might result from the modulation of the NF-κB complex, toll-like receptor-7, and phosphoinositide 3-kinase/Akt signaling in sensory neurons. This results suggest the neuromodulatory effects of UHF-TENS in rat sciatic nerve chronic constriction injury, in terms of alleviation of neuropathic pain, amelioration of pain-related neuropeptides, and regulation of neuroinflammatory gene expression. In combination with related molecular medication, UHF-TENS would be a new modality to potentiate the treatment of neuropathic pain in the future.
Evaluation of the frequency of congenital heart disease in children with recurrent or persistent pneumonia
Authors: Kaya Mustafa Mesut , Akın Alper , Balık Hasan , Uç Duygu , Türe Mehmet , Şen Velat
Published: November 2023

Aim
Pneumonia is one of the leading causes of death in young children and infants, especially in developing countries. Many pathologies are involved in the etiology of recurrent and persistent pneumonia. This study aims to determine the underlying congenital heart disease in recurrent or persistent pneumonia and to present the data from our region to the literature.
Material and Method:
Our study included 102 patients with recurrent or persistent pneumonia between June 2019 and February 2021. The number of pneumonia episodes, echocardiographic evaluations, physical examination, imaging, and laboratory findings were evaluated.
Results
Of the 102 patients in our study, 69 (67.6%) were male, and the mean age was 24.36 ± 32 (3-180) months. All patients met the criteria for recurrent pneumonia, and 55 patients (54%) met the criteria for persistent pneumonia. Congenital heart disease was found in 7.8% of patients with recurrent pneumonia and 23.6% with persistent pneumonia. Congenital heart disease was detected in 22 (21.5%) patients. The most common congenital heart disease was isolated Atrial Septal Defect (7.8%) and isolated Ventricular Septal Defect (4.9%). 59.1% of patients with congenital heart disease had a murmur on cardiac auscultation compared to 1.3% without CHD (p:<0.001). Body weight Z score was significantly lower in the group with congenital heart disease compared to the group without congenital heart disease (p:0.04). The incidence of congenital heart disease was significantly higher in girls with recurrent pneumonia than in boys with recurrent pneumonia (p:0.05).
Conclusion
Congenital heart disease is highly prevalent among the etiologies that can be identified in both recurrent pneumonia and persistent pneumonia. The presence of a pathological murmur on cardiac auscultation is a significant finding in favor of CHD. The frequency of congenital heart disease is higher in patients who fulfill the criteria for persistent pneumonia and in girls. Body weight is significantly affected in children with congenital heart disease associated with pneumonia.
Navigating protein landscapes with a machine-learned transferable coarse-grained model
Authors: Clementi Cecilia , Charron Nicholas , Musil Felix , Guljas Andrea , Chen Yaoyi , Bonneau Klara , Pasos-Trejo Aldo , Venturin Jacopo , Gusew Daria , Zaporozhets Iryna , Krämer Andreas , Templeton Clark , Kelkar Atharva , Durumeric Aleksander , Olsson Simon , Pérez Adrià , Majewski Maciej , Husic Brooke , Patel Ankit , De Fabritiis Gianni , Noé Frank
Published: November 2023

The most popular and universally predictive protein simulation models employ all-atom molecular dynamics (MD), but they come at extreme computational cost. The development of a universal, computationally efficient coarse-grained (CG) model with similar prediction performance has been a long-standing challenge.
By combining recent deep learning methods with a large and diverse training set of all-atom protein simulations, we here develop a bottom-up CG force field with chemical transferability, which can be used for extrapolative molecular dynamics on new sequences not used during model parametrization. We demonstrate that the model successfully predicts folded structures, intermediates, metastable folded and unfolded basins, and the fluctuations of intrinsically disordered proteins while it is several orders of magnitude faster than an all-atom model.
This showcases the feasibility of a universal and computationally efficient machine-learned CG model for proteins.
Identification of 4 autophagy-related genes in ischemic heart failure by bioinformatics analysis and machine learning
Authors: Deng Xiwei , Yang Ziqi , Li Tongzheng , Wang Yang , Yang Qinchuan , An Rui , Xu Jian
Published: November 2023

Background
Autophagy refers to the process of breaking down and recycling damaged or unnecessary components within a cell to maintain cellular homeostasis. Heart failure (HF) is a severe medical condition that poses a serious threat to the patient's life. Autophagy is known to play a pivotal role in the pathogenesis of HF. However, our understanding of the specific mechanisms involved remains incomplete. Here, we identify autophagy-related genes (ARGs) associated with HF, which we believe will contribute to further comprehending the pathogenesis of HF.
Methods
By searching the GEO (Gene Expression Omnibus) database, we found the GSE57338 dataset, which was related to ischemic HF. ARGs were obtained from the HADb and HAMdb databases. Annotation of GO and enrichment analysis of KEGG pathway were carried out on the differentially expressed ARGs (AR-DEGs). We employed machine learning algorithms to conduct a thorough screening of significant genes and validated these genes by analyzing external dataset GSE76701 and conducting mouse models experimentation. At last, immune infiltration analysis was conducted, target drugs were screened and a TF regulatory network was constructed.
Results
Through processing the dataset with R language, we obtained a total of 442 DEGs. Additionally, we retrieved 803 ARGs from the database. The intersection of these two sets resulted in 15 AR-DEGs. Upon performing functional enrichment analysis, it was discovered that these genes exhibited significant enrichment in domains related to "regulation of cell growth", "icosatetraenoic acid binding", and "IL-17 signaling pathway". After screening and verification, we ultimately identified 4 key genes. Finally, an analysis of immune infiltration illustrated significant discrepancies in 16 distinct types of immune cells between the HF and control group and up to 194 potential drugs and 16 TFs were identified based on the key genes.
Conclusion
In this study, TPCN1, MAP2K1, S100A9, and CD38 were considered as key autophagy-related genes in HF. With these relevant data, further exploration of the molecular mechanisms of autophagy in HF can be carried out.
Nocardiosis with suspected multiple metastases of lung cancer: a case report
Authors: Lu Huiying , Yao Mengxian , Gan Lei , chen zhigung
Published: November 2023

Background
Nocardiosis is a rare opportunistic infection susceptible to immunocompromised patients. The condition frequently manifests as pulmonary infection and may have imaging characteristics which resemble to lung cancer, such as the nodules and the lymph nodes enlargement, leading to confusion in diagnosis. In addition, Nocardia can also spread through the blood, causing cutaneous and cerebral infections.
Case presentation:
We report a female patient with long-term oral methylprednisolone and ciclosporin, who had uncommon multiple systemic infections. CT scan showed the patient may be lung cancer with intrapulmonary, subcutaneous and musculature metastases, while the cranial enhanced MRI scan showed brain metastases. Finally, Nocardia was cultured through subcutaneous puncture fluid. After treatment, her multiple organ lesions became significantly smaller or subsided.
Conclusions
Doctors should consider nocardiosis as a potential infectious disease in patients with compromised immune systems to prevent incorrect diagnosis and treatment.
Estimating the non-market value of protected areas: the case of Senkele Swayne Hartebeest Sanctuary, South Ethiopia
Authors: Wogayehu Dimim , Amanuel Desalegn , Tadie Getachew
Published: November 2023

Protected Areas provide secured habitat for plants and animals. The principal objective of the study was to estimate the determinants that influence households’ decision, maximum and the mean willingness to pay local rural farm for conservation and restoration of Senkele Swayne’s hartebeest sanctuary. To achieve the objective of the study, the contingent valuation method (CVM) was using double bound dichotomous questions followed by open-ended questions. Sample data from 175 rural households were collected by applying two stage sampling procedures. The primary data was collected using structured and semi-structured questionnaire interviews, conducting, a focus group discussion and a key informant interview. Relevant secondary data was also reviewed. Both descriptive statistics and econometric methods of analysis were used. Econometric models such as bivariate probit, binary probit and Tobit models were used to estimate mean WTP, determinants of decision WTP and the intensity of WTP respectively. The WTP result shows that the average amount of money from the open-ended format was 31.71 ETB per month and the mean WTP values from double bounded dichotomous households in the senkele sanctuary can pay up to 34.59 ETB per month. Determinants such as educational level, livestock holding and total land size had a positive and significant effect on the decision of households’ WTP. While distance from sanctuary and initial bid amount had a negative influence on households' WTP decisions. Therefore, the aggregated welfare gain expected from the conservation intervention of sanctuary from the open-ended format and double bounded dichotomous format were 12,024,812.52 ETB and 13,116,943.08 ETB per year respectively. Based on welfare gains from the sanctuary intervention, results show that the aggregate value of Sanctuary from an open-ended question format (12 million ETB) was underestimated as compared to a double bounded dichotomous choice format (13.12 million ETB). This indicates that there may be the existence of free riding problems in the study area. EWCA, researchers, local people and non-governmental organizations are working together to minimize deforestation and develop a sustainable management system for Senkele sanctuary.
A spatiotemporal comparative analysis on tumor immune microenvironment characteristics between neoadjuvant chemotherapy and preoperative immunotherapy for ESCC
Authors: Ba Yi , Zhou Zhengyang , Zhang Hongdian , Yang Jiayu , Wang Tongtong , Pan Wen , Zhang Qiumo , Wang Huiya , Tang Peng , Zhang Haiyang
Published: November 2023

The average five-year survival rate for esophageal cancer, a common malignant tumor of the digestive system, is barely 20%. The majority of esophageal squamous cell carcinoma (ESCC) patients had already progressed to a locally advanced or even advanced stage at initial diagnosis, making routine surgery ineffective. Chemotherapy and immunotherapy are important neoadjuvant treatments for ESCC, however, it remains unknown how treatment will affect the immunological microenvironment, especially at the spatial level. Here, we presented the TME characters of ESCC from the temporal and spatial dimensions using scRNA-seq and ST, investigated the changes of immune cell clusters in the TME under neoadjuvant chemotherapy and preoperative immunotherapy, and explored the potential mechanisms. It was found that compared with chemotherapy, immunotherapy combined with chemotherapy increased the level of T cell proliferation, partially restored the function of exhausted T cells, induced the expansion of specific exhausted CD8 T cells, increased the production of dendritic cells (DCs), and supported the immune hot microenvironment of the tumor. We also found that CD52 and ID3 have potential as biomarkers of ESCC. Particularly, CD52 may be served as a predictor of the efficacy to screen the advantaged population of different regimens. Through multiple pathways, CAF2 and CAF5's antigen-presenting role affected the other fibroblast clusters, resulting in malignant transformation. We analyzed the immune microenvironment differences between the two regimens to provide a more thorough description of the ESCC microenvironment profile and serve as a foundation for customized neoadjuvant treatment of ESCC.
Characterization of Plasmodium falciparum resistance genes to common antimalarials in semi-urban areas of Burkina Faso
Authors: Tchekounou Chanolle , Zida Adama , Soulama Issiaka , Zongo Cheikna , Sombie Salif , Nikiema seni , Yanogo Nassandba Julien , Sawadogo Salam , Kabore Farida Carelle Ariane , Zoure Oumou Aicha Zeina Djamila , Sawadogo Haffsatou , Sawadogo Patindoilba Marcel , Tibiri Yssimini Nadège Guillène , Guiguemde Kiswendsida Thierry , Ily Raissa Pousga , Ouedraogo-Traoré Rasmata , Ouedraogo Youssoufou , Savadogo Aly
Published: November 2023

Introduction: Malaria remains today the most frequent parasitic disease on the planet with, in 2021, 247 million cases and 619,000 deaths worldwide. Its control is compromised by the spread of the parasite's resistance to available antimalarials. The objective of our study is the characterization of Plasmodium falciparum resistance genes to common antimalarial drugs in semi-urban areas of Burkina Faso.
Material and Methods: This is a prospective cross-sectional study whose collection took place from June to October 2021 and from June to October 2022 in five health facilities in Burkina Faso. The molecular analysis took place from January to June 2023 at Centre National de Recherche et de Formation (CNRFP) to determine resistance genes such as Pfcrt, Pfmdr1, Pfdhps, and Pfdhfr. We have used the PCR-RFLP technique.
Results: On 150 samples analyzed we obtained prevalence of 46.67 %, 1.33 %, 0.67 %, 20%, 82%, and 4.67%, respectively for the mutations Pfcrt76T, Pfmdr1 86Y, Pfdhps 437G, Pfdhfr 51I, Pfdhfr 59R, and Pfdhfr 108N. There are no mutations observed for the mutant strains Pfdhps 540E and Pfdhfr 164L. However, the mutant strain Pfdhfr 59R was the most found and we also observed in general a triple mutation (Pfdhps 437G + Pfdhfr 59R + Pfdhfr 108N) with a low frequency which is 0.67%.
Conclusion: It would be wise to carry out increased surveillance of Plasmodium falciparum resistance markers to antimalarial drugs, one of the priorities in the context of the control or malaria elimination.
Evaluation of the Position of the Central Venous Catheter Tip of Implantable Venous Access Devices in the Occurrence of Postoperative Thrombotic and Non-Thrombotic Complications
Authors: Hamri Hicham , Pop C. Florin , Mauriac Sybil , Degreve Caroline , Khaled Charif , Vouche Michael , Moreau Michel , Liberale Gabriel
Published: November 2023

Background: The catheter tip of totally implanted venous access devices (TIVAD) is a risk factor for postoperative complications. The study aim was to assess the early (EC) and late complications (LC) associated with the position of the catheter tip in patients with cancer.
Methods: We reviewed cancer patients who had a TIVAD placed in 2020. EC (<90 days), LC (>90 days) and risk factors for TIVAD-associated complications were assessed. The vertical mismatch of the catheter tip compared to a “ideal position”: >10mm below the carina and >20 mm belowthe right main bronchus (RMB) was assessed on post-implantation chest x-ray.
Results:
301 patients were included, with a median time of port follow at 9.4 months. All TIVADs were inserted via the internal jugular vein (IJV). The mean distance between the catheter tip and the carina or RMB was 21.3 mm and6.63 mm respectively. In total, 11.3% TIVADs developed EC and 5.6% had LC. An association was found between the position of the catheter tip from the carina (≤ 10mm vs > 10mm) and the occurrence of EC (18.3% vs 8.6%, p=0.01) and for the insertion site (left IJV vs right IJV) (19.1% vs 9.0% p=0.02). In multivariate analysis, left IJV insertion (OR 2.76), and a catheter tip located ≤ 10 mm below the carina (OR 2.71) were the significant independent risk factors of EC.
Conclusions: TIVAD catheter tip located at less than 10 mm below the carina and a left-side inserted catheter are at higher risk of short-term complications.
Dynamic trajectories of life-threatening mass effect in patients with large middle cerebral artery stroke
Authors: Ong Charlene , Huang Qiuxi , Kim Ivy , Pohlmann Jack , Chatzidakis Stefanos , Brush Benjamin , Zhang Yihan , Du Yili , Mallinger Leigh Ann , Benjamin Emelia J. , Dupuis Josée , Greer David , Smirnakis Stelios , Trinquart Ludovic
Published: November 2023

Background
Life-threatening, space-occupying mass effect due to cerebral edema and/or hemorrhagic transformation is an early complication of patients with middle cerebral artery (MCA) stroke. Little is known about longitudinal trajectories of laboratory and vital signs leading up to radiographic and clinical deterioration related to this mass effect.
Methods
We curated a granular retrospective dataset of 635 patients with large middle cerebral artery (MCA) stroke totaling 108,547 data points for repeated measurements of 10 covariates, and 40 time-independent covariates. We assessed longitudinal trajectories of the 10 longitudinal variables during the 72 hours preceding three outcomes representative of life-threatening mass effect: midline shift (MLS) \(\ge\)5mm, pineal gland shift (PGS) \(>\)4mm, and decompressive hemicraniectomy (DHC). We used a “backward looking” trajectory approach. Patients were aligned according to the time of outcome occurrence and the trajectory of each variable was assessed prior to that outcome by accounting for both cases and non-cases.
Results
Of 635 patients, 49% were female, and mean age was 69 years. Thirty five percent of patients had MLS \(\ge\)5mm, 24.1% had PGS \(>\)4mm, and DHC occurred in 10.7%. For the three outcomes of interest, backward-looking trajectories showed mild increases in white blood cell count (10 up to 11 K/UL within 72 hours), temperature (up to half a degree within 24 hours), and sodium (1–3 mEq/L within 24 hours) leading up to outcomes. We also observed a decrease in heart rate (75 − 65 beats per minute) 24 hours prior to DHC.
Conclusions
Univariable longitudinal profiling showed that temperature, white blood cell count, and sodium increase prior to radiographic and clinical indicators of space-occupying mass effect. These findings will inform development of multivariable dynamic risk models to aid prediction of life-threatening space-occupying mass effect.
Structural studies of mononuclear yttrium and lutetium complexes bearing anthracenide and polyphenyl-substituted cyclopentadienyl ligands
Authors: Bardonov Daniil A. , Nasyrova Darina I. , Roitershtein Dmitrii M. , Lyssenko Konstantin A. , Minyaev Mikhail E.
Published: November 2023

Crystal structures of mononuclear cyclopentadienyl-anthracenide complexes [(1,3-Ph2C5H3)Lu(C14H10)(THF)2]•THF (1a), [(1,2,4-Ph3C5H2)Lu(C14H10)(THF)2]•0.17hexane•1.53THF (2a), [(1,2,4-Ph3C5H2)Lu(C14H10)(THF)2]•3C6D6 (2b), [(1,2,4-Ph3C5H2)(C14H10)Y(THF)2] •0.23hexane•1.37THF (3a), and [(1,2,4-Ph3C5H2)(2,6-tBu2C14H8)Ln(THF)2]•0.5THF (4a) have been studied. Complexes exhibit a structural rigidity of the (η5-С5)Ln(η2-С14)(O)2 crystallographic node. Electronic and steric effects are discussed. The cyclopentadienyl-anthracenide complexes are able to activate C = C bonds without a co-catalyst, using ethylene polymerization as an example.
A study of Fly-Ash and Slag Based Alkali Activated Binder Using Sea Water Based Alkaline Activator
Authors: Tadicharla V K Ratna Bhanu , D Gunneswara Rao T
Published: November 2023

This paper presents investigation in alkali activated paste and alkali activated mortar produced by combinations of flyash collected from coal based thermal power plant and ground granulated blast furnace slag collected from steel manufacturing facilities. The flyash and ground granulated blast furnace slag are industrial by products rich in aluminosilicates. The present study focuses on effect of utilization of seawater-based alkali activator solution in alkali activated paste and mortar. Alkali activator solution activates the chemical processes in binder materials when used in right concentrations and right proportion. This paper discusses the mechanical properties and microstructure characteristics of seawater-based alkali activated paste and mortar in comparison with conventional distilled water-based alkali activator. The usage of sea water shown insignificant change in setting times and compressive strengths for various combinations of binder material. The microstructure analysis also showed less variation in mineralogical formations when conventional distilled water is replaced with sea water in preparation of alkali activator solution.