bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computational Approaches for the Designing of Novel Anticancer Compounds Based on Pyrazolo[3,4-d]pyrimidine Derivatives as TRAP1 Inhibitor
Authors: Ali Amena , AbuAli Ola , abdellattif magda 
Published: October 2020

Abstract
Tumor necrosis factor (TNF) receptor associated protein 1 (TRAP1), a mitochondrial paralog of Heat Shock Protein (Hsp90), is associated with tumorigenesis promotion in different cancers through the maintenance of integrity of mitochondria, reprogramming cellular metabolism and reducing the production of reactive oxygen species (ROS). Therefore, both TRAP1 and Hsp90 are found to be of interest as targeted in the development of cancer therapeutics. In the current research, various computational approaches have been used in the development of TRAP1 inhibitors as anticancer compounds of Pyrazolo[3,4-d]pyrimidine derivatives. The various studies including development of pharmacophore, docking, 3-D QSAR, virtual screening and other studies were performed on 34 different Pyrazolo[3,4-d]pyrimidine derivatives to record the potential ability of these compounds. The required key features for the study is being provided by the pharmacophore study which provide DHHRR_1 hypothesis. 3D QSAR (atom-based analysis) was performed with different 34 pyrazole derivatives, which has been divided into two groups i.e. training set and test sets, provide the knowledge of the involvement of various fields of atom-based QSAR. The statistically significant model for this QSAR model was determined by partial least squares regression (PLS) method for which R2 =0.96 and Q2 = 0.57 would be considered significant. The LOO cross-validation R2 CV = 0.58 was used for the validation of QSAR model. Based on the virtual screening study protocol for the optimized binding interaction with TRAP1 kinase receptors (PDB ID: 5Y3N), the compounds ZINC05297837, ZINC05434822 and ZINC72286418 were produced. The maximum XP docking scores (-11.265, -10.532, -10.422, -10.827, -10.753) were observed for potent pyrazole analogues (42, 46, 49, 56, 43) by docking study representing their possible significant interactions with amino acid residues (ASP 594, CYS 532, PHE 583, SER 536). Absorption, distribution, metabolism, and excretion (ADME) analysis was carried out providing the key information for the newly designed compounds and their drug ability. The results of the docking study were correlated with the 3-D QSAR analysis revealed the active conformation of TRAP1 inhibitors which is helpful and important for activity performance with future perspective.
Landslide Hazard Assessment and Distribution Mapping of Mountain Region of Nepal: A Case from Triveni Rural Municipality
Authors: Oli Tej Raj , Pandey Hari Prasad , Manjan Shiv Kumar 
Published: October 2020

Abstract
An application of GIS for landslide hazard assessment using multivariate statistical analysis, mapping, and the evaluation of the hazard maps is crucial for disaster risk reduction. Landslides are the rapid downward movement of a mass of rock, earth or artificial fill to the slope. The study was conducted the Khara of Triveni Rural Municipality of Rukum West district of Karnali Province of where the pressure of rural road constructions seems relatively higher. Primary data were collected and used to construct the landslide distribution map and hazard assessments those were obtained from the direct ground-truthing and mapping using GIS. To determine the factors and classes influencing land sliding, the layers of topographic factors derived from a digital elevation model (DEM), geology, and land use/land covers were analyzed. The results are presented in landslide distribution mapping and hazard analyses. From the landslide inventory of more than 200 landslides that were occurred since 2015, the landslide distribution maps, landslide-size distribution maps and hazard level of sliding graphics were presented. Hazard map of the study area shows 4.34% area lies in the high hazard level, 53.64% on moderate hazard level and 42.02% in low hazard level in the study area. The results would give insights to the landslide distribution in the area that could support rural municipality for shaping disaster risk reduction policies and strategies. The result could be reference for landslide distribution mapping and hazard zonation.
Development and Clinical Evaluation of a Rapid Antibody Lateral Flow Assay for the Diagnosis of SARS-CoV-2 Infection
Authors: Li Kesheng , Tong Chongxiang , Ha Xiaoqin , Zeng Chaoning , Chen Xia , Xu Feifei , Yang Jinhong , Du Huifen , Chen Yuxin , Cai Jing , Yang Zengwei , Jiang Zhongyi , Chai Dandan , Zhang Xueliang , Li Xun , Li Junfeng , Yao Liqiong 
Published: October 2020

Abstract
Background: The novel coronavirus disease 2019 (COVID-19) is an infectious disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), which has quickly spread worldwide since its outbreak in December 2019. One of the primary measures for controlling the spread of SARS-CoV-2 infection is an accurate assay for its diagnosis. SARS-CoV-2 real-time PCR kits suffer from some limitations, including false-negative results in the clinic. Therefore, there is an urgent need for the development of a rapid antibody test kit for COVID-19 diagnosis.Methods: The nuclear capsid protein (N) and spike protein 1 (S1) fragments of SARS-CoV-2 were expressed in Escherichia coli, and rapid antibody-based tests for the diagnosis of SARS-CoV-2 infection were developed and compared. To evaluate their clinical applications, the serum from COVID-19 patients, suspected COVID-19 patients, recovering COVID-19 patients, patients with general fever or pulmonary infection, doctors and nurses who worked at the fever clinic, and health professionals was analyzed by the rapid antibody test kits. The serum from patients infected with Mycoplasma pneumoniae and patients with respiratory tract infection was further analyzed to test its cross-reactivity with other respiratory pathogens.Results: A 47 kDa N protein and 67 kDa S1 fragment of SARS-CoV-2 were successfully expressed, purified, and renatured. The rapid antibody test with recombinant N protein showed higher sensitivity and specificity than the rapid IgM antibody test with recombinant S1 protein. Clinical evaluation showed that the rapid antibody test kit with recombinant N protein had 88.56% sensitivity and 97.42% specificity for COVID-19 patients, 53.48% positive rate for suspected COVID-19 patients, 57.14% positive rate for recovering COVID-19 patients, and 3.20%-3.27% cross-reactivity with other respiratory pathogens. The sensitivity of the kit did not significantly differ in COVID-19 patients with different disease courses (p < 0.01).Conclusion: The rapid antibody test kit with recombinant N protein has high specificity and sensitivity, and can be used for the diagnosis of SARS-CoV-2 infection combined with RT-PCR.
Predicting Outcomes in Older ED Patients with Influenza in Real Time Using A Big Data-Driven and Machine Learning Approach to the Hospital Information System
Authors: Hsu Chien-Chin , Tan Tian-Hoe , Chen Chia-Jung , Hsu Shu-Lien , Liu Tzu-Lan , Lin Hung-Jung , Wang Jhi-Joung , Liu Chung-Feng , Huang Chien-Cheng 
Published: October 2020

Abstract
Background: Predicting outcomes in older patients with influenza in the emergency department (ED) by machine learning (ML) has never been implemented. Therefore, we conducted this study to clarify the clinical utility of implementing ML.Methods: We recruited 5508 older ED patients (≥65 years old) in three hospitals between 2009 and 2018. Patients were randomized into a 70%/30% split for ML model training and testing. Using 10 clinical variables from their electronic health records, a random forest model using the synthetic minority oversampling technique preprocessing algorithm was constructed to predict five outcomes. Results: The areas under the curves of predicting outcomes using the random forest model were 0.807 for hospitalizations, 0.974 for pneumonia, 0.994 for sepsis or septic shock, 0.981 for intensive care unit admission, and 0.851 for death in the testing data. The predictive model was further applied in the hospital information system to assist physicians’ decisions in real time.Conclusions: ML is a promising way to assist physicians in predicting outcomes in older ED patients with influenza in real time. Evaluations of the effectiveness and impact are needed in the future.
Personalized Rapid Prototyping Template for Direct C1 Pedicle Screw Fixation of Unstable C1 Semi-Ring Fractures
Authors: Dong Wei-xin , Hu Yong , Spiker William Ryan , Yuan Zhen-shan , Zhong Jian-bin , Sun Xiao-yang , Zhu Bing-ke , Lai Ou-jie 
Published: October 2020

Abstract
Background: Placement of C1 pedicle screws carries an inherent risk of injury to the spinal cord and vertebral artery. Use of a personalized rapid prototyping template may be able to improve the safety of C1 pedicle fixation. To evaluate the clinical and radiographic outcomes of direct posterior C1 pedicle screw fixation using a personalized rapid prototyping template for unstable C1 semi-ring fractures.Methods: From May of 2010 to September of 2015, 38 patients with unstable C1 semi-ring fractures were treated with direct posterior C1 pedicle screw fixation. A standard open technique was utilized in 20 patients (Free-hand group) and 18 patients underwent C1 pedicle screw fixation with the aid of a personalized rapid prototyping template (RP group). The operative time, intraoperative blood loss, preoperative ADI, LMD and VAS were recorded. The postoperative ADI, LMD and VAS score were recorded at 180 days postoperatively.Results: No spinal cord or vertebral artery injuries were encountered in either group. Similarly, no post-operative instrumentation failures or cases of postoperative C1-2 instability were reported in either group. There was no statistically significant difference in intraoperative blood loss and operative time between RP and Free-hand group. In both groups, all patients obtained radiographic fusion at 6 months, reported no residual neck pain and were found to have a full range of motion at final follow up.Conclusion: Use of a personalized rapid prototyping template for the placement of direct posterior C1 pedicle screws is safe and effective in the treatment of unstable C1 semi-ring fractures with similar radiographic and clinical outcomes to more traditional techniques.
Overexpression of FUBP1 is associated with human cervical carcinoma development and prognosis
Authors: Yin Haofan , Huang Zhijian , Wu Zhikun , Lin Xuepin , Di Chunguang , Huang Mao , Hong Honghai , Ma Caiqi 
Published: October 2020

Abstract
Background: Far upstream element-binding protein 1 (FUBP1) has been shown to involve in the tumorigenesis and tumor progression of various cancers. However, the expression and function of FUBP1 in cervical carcinoma remains unknown.Methods: Transcriptional expression of FUBP1 was initially evaluated using the Oncomine database, followed by evaluation of FUBP1 protein levels using immunohistochemistry in 119 cervical carcinoma patient tissues. In vitro experiments were performed to assess the tumorigenic role of FUBP1. Besides, Gene Set Enrichment Analysis, EnrichmentMap analysis, and protein-protein interaction (PPI) networks were used to evaluate the potential mechanisms of FUBP1 in promoting cervical cancer progression.Results: In this research, we found both FUBP1 mRNA transcription and protein expression levels increased significantly in cervical carcinoma tissues compared with adjacent normal cervical tissues. Furthermore, elevated FUBP1 expression was positively correlated with age, T classification, N classification, tumor recurrence, Ki67 expression, and poor prognosis in cervical carcinoma patients. Besides, elevated FUBP1 expression acted as an independent unfavorable predictor for overall survival and disease-free survival in cervical carcinoma. Overexpression of FUBP1 significantly promoted cervical carcinoma cell proliferation and inhibits cell apoptosis in vitro, while knockdown of FUBP1 showed the opposite effect. Mechanistically, bioinformatics analysis revealed that FUBP1 promoted the biological function of cervical carcinoma cells via enhancing DNA repair signal pathways. Conclusions: our results demonstrate for the first time that FUBP1 is a novel prognostic factor and therapeutic target for cervical carcinoma.
Effect of Y on the Oxidation Behavior of a Directionally Solidified Ni-based Single Crystal Superalloy
Authors: Zhao Zihan , Guan Kai , Cui Renjie , Qin Jianchao , Huang Zhaohui 
Published: October 2020

Abstract

The effect of Y addition on the oxidation behavior of a Ni-based directionally solidified single crystal superalloy was investigated. Isothermal oxidation test for the samples with different-level Y addition was conducted at 1100℃ in air. The Y content of the samples was demarcated by the actual pickup amount resulted from ICP-AES test. It was found that the addition of Y increased the oxide resistance by an adhesive double-layer oxide scale which was composed of Al2O3 and spinel Ni(Cr,Al)2O4. With 70ppm Y addition, the oxidation weight gain was decreased from 12.6g/m2 for the alloy without Y addition to 5.3g/m2, and the oxidation rate was significantly decreased. Besides, the internal nitride also disappeared after Y doping because of the increasing oxidation scale adherence and the decreasing of oxidation products. In this study, 660ppm Y addition alloy showed the best oxidation resistance.
Proteomic Analysis of Inhibitor of Apoptosis Protein-like Protein-2 on MCF-7 Cell Growth
Authors: Xiang Siqi , Zhu Lin , Zhang Zhiliang , Wang Siyuan , He Shiqiang , Cui Ruxia , Xiang Mingjun 
Published: October 2020

Abstract
Backgrounds Although inhibitor of apoptosis protein-like protein-2 (ILP-2) is regarded as a novel growth enhancer for breast cancer, its mechanism on breast cancer cell growth remains elusive. This study analysed the expression profiles of proteins with association to ILP-2 protein during Michigan Cancer Foundation-7 (MCF-7) breast cell growth for its mechanism on breast cancer cell growth.Methods Isobaric tags for relative and absolute quantification analysis (iTRAQ) was applied on siRNA-5 and negative control groups of MCF-7 breast cancer cells to analyse protein expression profile correlated to ILP-2 during MCF-7 cell growth. Verification of iTRAQ data was by done by Western blot.Results4065 proteins were identified in the MCF-7 cells, with 241 of differentially expressed proteins (DEPs) (fold change ≥ 1.20 or ≤ 0.83 and P<0.05). A total of 156 upregulated and 85 downregulated proteins were found in the siRNA-5 group versus negative control group. These DEPs were associated with the extracellular matrix receptor interaction. Proteins from the top 10 biological processes were associated with signal transduction, regulation of cell proliferation, and immune system processes. The expression of AGA (N(4)-(beta-N-acetylglucosaminyl)-L- asparaginase), MT1E (metallothionein-1E) and TDO2 (tryptophan 2,3-dioxygenase) increased when the protein expression of ILP-2 was knocked-down. ConclusionsThese results suggest that ILP-2 promotes MCF-7 cell growth by regulating cell proliferation, signal transduction, and immune system processes.
Nutritional Requirements During Training for Special Operation Forces – An Observational Study
Authors: Rietjens Gerard , Plasqui Guy , Frenken Deafvon A.M.S.W. , Most Jasper 
Published: October 2020

Abstract
Background: Responses to exercise training can vary greatly between individuals. For special operation forces, low responses to training can hamper performance. In this study, we objectively measured strength and fitness during special operation forces training, and assessed potential determinants of the training response. Methods: Twenty subjects were enrolled, and measurements were taken before and after a 9-week training program. Muscular strength was measured as one-repetition-maximum on four instruments, and physical fitness by the Cooper-test. Body composition was measured using deuterium dilution, physical activity by accelerometry and diet quality by food records. Level of significance was p<0.05.Results: During the 9-week training period, body strength increased by 0.33±0.24 N/kg (+7%, P<0.001, and physical fitness increased by 3.5±3.4 mL/min/kg (+6%, P=0.001). Gains in strength were inversely associated with strength at baseline, and positively with activity intensity during the training program. We observed no effect of training on body weight, but body composition was significantly different at follow-up as compared to baseline (16.9±2.5% to 14.9±2.5% body fat, P=0.03). Energy intake was 4491±506 kcal/d and energy balance was -243±306 kcal/d (P=0.04). Average physical activity level was 2.6±0.2 and the average duration of moderate-to-vigorous physical activity was 5:53±0:36h. Over time, physical activity did not change significantly. After adjustment for underreporting, intakes of vitamin C and D were insufficient on average and for most participants.Conclusions: Improvements in strength were modulated by strength prior to the intervention, and moderate-to-vigorous physical activity during the training. Thus, compensatory declines in physical activity may hamper the effectiveness of the exercise program.
Dengue Prediction Through Machine Learning and Deep Learning: A Scoping Review Protocol.
Authors: Batista Ewerthon Dyego de Araujo , Bublitz Frederico Moreira , Araujo Wellington Candeia de , Lira Romeryto Vieira 
Published: October 2020

Abstract
Background: Dengue is an endemic disease caused by the DENV virus. There are four types of serology for this virus (DENV1, DENV2, DENV3 e DENV4). All of these variations can cause the disease and, once infected with one type, the patient is not immune against other serologies. Due to the particularity of the virus serology, as well as the ease of reproduction of the transmitting mosquito, approximately 4.3 million people suffered from this disease in 2019. Although it is not a new disease, there is still no effective vaccine against the virus. The best form of combat is prevention against mosquito proliferation. In this sense, machine learning and deep learning techniques have been used to predict dengue cases. In this work we show a scope review to clarify how it is possible to predict dengue cases through machine and deep learning.Methods: This scope review will follow the methodology defined in the article “Scoping studies: advancing the methodology”. The methodology consists of six phases. We chose to use only the mandatory ones: 1 - Identify the research question, 2 - Identify the relevant studies, 3 - Select the studies, 4 - Map the data and 5 - Compile, summarize and make the report. The main research question is to verify the feasibility of using machine learning and deep learning in the prediction of dengue cases. Derived from this question, the machine learning and deep learning techniques used will be investigated, where the studies are carried out, which data are being used, how the models are validated and which produce better results. The review used electronic databases: Scopus Document Search, IEEE Xplore Digital Library, PubMed, ACM Digital Library, and Web of Science.Results: After completing this study, a technical-scientific opinion was created and the suggested protocol was executed. As a result of the execution, 301 papers were selected and 14 approved.Conclusions: We can prove the effectiveness of using Machine Learning and Deep Learning techniques to predict dengue cases. Systematic Review registrations: Submitted on October 16,2020 Open Science Framework
Monocyte Distribution Width (MDW) as a New Tool for the Prediction of Sepsis in Critically Ill Patients: A Preliminary Investigation in an Intensive Care Unit
Authors: Polilli Ennio , Frattari Antonella , Esposito Jessica Elisabetta , Stanziale Andrea , Giurdanella Giuliana , Iorio Giancarlo Di , Carinci Fabrizio , Parruti Giustino 
Published: October 2020

Abstract
Background. Monocyte Distribution Width (MDW), a simple proxy marker of innate monocyte activation, can be used for the early recognition of sepsis along with Procalcitonin.Objectives. To explore the added value of MDW as an early predictor of ensuing sepsis in patients hospitalised in an Intensive Care Unit. Methods: We performed an observational prospective monocentric study to estimate the analytical performance of MDW in detecting ensuing sepsis in a sample of consecutive patients assisted in an Intensive Care Unit for >48h for any reason. Demographic and clinical characteristics, past medical history and other laboratory measurements were included as potential predictors of confirmed sepsis in multivariate logistic regression. Results: A total of 211 patients were observed, 129 of whom were included in the final sample due to the suspect of ensuing sepsis; of these, 74 (57%) had a confirmed diagnosis of sepsis, which was best predicted with the combination of MDW>23.0 and PCT>0.5 ng/mL (Positive predictive value, PPV: 92.6, 95%CI: 82.1-97.9). The best MDW cut-off to rule out sepsis was ≤20.0 (Negative predictive value, NPV: 86.4, 95%CI: 65.1-97.1). Multivariate analyses using both MDW and PCT found a significant association for MDW>23 only (OR:17.64, 95%CI: 5.53-67.91).Conclusions: We found that values of MDW>23 were associated with a high PPV for sepsis, whereas values of MDW <20 were associated with a high NPV. Our findings suggest that MDW may help clinicians to monitor ICU patients at risk of sepsis, with minimal additional efforts over standard of care.
Cisplatin, Docetaxel and Cetuximab (TPEx) as First-line Treatment for Patients With Recurrent or Metastatic Head and Neck Cancer: A Multicenter Real-World Study
Authors: Falco Agustín , Leiva Mariano , Blanco Albano , Cefarelli Guido , Rodriguez Andrés , Melo Juan , Cayol Federico , Rizzo Manglio , Sola Alejandro , Montani Hernán Rodríguez , Chacón Matías , Enrico Diego , Waisberg Federico 
Published: October 2020

Abstract
BACKGROUNDThe association of platinum, taxanes, and cetuximab has proven to be an effective and safe strategy for head and neck cancer treatment. Here we present a multi-institutional real-world experience of the TPEx schema as first-line therapy in advanced squamous cell carcinoma of the head and neck (SCCHN).METHODS This retrospective multicenter cohort study included patients with histologically confirmed recurrent or metastatic SCCHN treated with first-line TPEx regimen at five medical centers in Argentina between January 1, 2017, and April 31, 2020. Chemotherapy consisted of four cycles of docetaxel, cisplatin, and cetuximab, followed by cetuximab maintenance. Clinical outcomes and toxicity profiles were evaluated. RESULTSTwenty-four patients were included. Median age at diagnosis was 58 years (range 36-77). The majority of patients (83.3%) received at least four chemotherapy cycles in the initial part. In the included group, overall response rate was 62.5%, and three patients achieved a complete response (12.5%). The median time to response was 2.4 months (95% CI 1.3-3.5). With a median follow-up of 12.7 months (95% CI 8.8-16.6), the median progression-free survival was 6.9 months (95% CI: 6.5-7.3), and the overall survival rate at 12 months was 82.4%. Two-thirds of patients reported at least one treatment-related adverse event, and 25% presented grade 3-4 toxicities.CONCLUSIONSTPEx was an adequately tolerated regimen in our population. Median progression-free survival and overall response rates were consistent with recent reports in clinical trials evaluating this treatment combination.