bluuebunny/crossref_metadata_2025_split huggingface dataset:
Discovery of Chalcone-Based Hybrid Structures as High Affinity and Site-Specific Inhibitors Against COVID-19; a Study Based on Various Host-Based and Viral Targets
Authors: Valipour Mehdi , Irannejad Hamid 
Published: September 2021

Abstract
3-Chymotrypsin-like protease (3CLpro) and papain-like protease (PLpro) of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) are at the forefront of attention for finding therapeutic agents for the treatment of COVID-19. In addition, proper modulation of host-based antiviral targets (HBATs) has also been highlighted by scientists as a promising approach for the suppression of the SARS-CoV-2. Previous studies indicated that some natural-based chalcones have significant inhibitory effect on the coronavirus enzymes 3CLpro and PLpro as well as modulation of some HBATs. In this study, a computational screening was performed to investigate the affinity of our compound library consisting of 757 chalcone-based structures (CHA-1 to CHA-757) for inhibiting the 3CLpro and PLpro enzymes, and also against twelve selected host-based targets. The twelve selected HBATs were chosen based on their involvement in viral reproduction. Our results indicated that CHA-12 (VUF 4819) is the most potent and a multi-target inhibitor in our chemical library over all viral and host-based targets. Correspondingly, CHA-384 and its congeners containing ureide moieties were found to be potent and selective 3CLpro inhibitors, and benzotriazole moiety in CHA-37 was found to be a main fragment for inhibiting the 3CLpro and PLpro. Surprisingly, our results were fully consistent with recent reports on the site-specific 3CLpro inhibitors. The results also indicate that the ureide and sulfonamide moieties are integral fragments for the optimum 3CLpro inhibition while occupying the S1 and S3 subsites. Finding the multi-target inhibitor CHA-12, previously reported as a LTD4 antagonist for the treatment of inflammatory pulmonary diseases, prompted us to suggest it as a concomitant antiviral agent for relieving respiratory symptoms and suppressing COVID-19 infection.
A Prediction Model for CO 2 Concrete using Regression Analysis and Artificial Neural Networks
Authors: Tam Vivian W. Y. , Butera Anthony , Le Khoa N. , Silva Luis C. F. , Evangelista Ana. C. J. 
Published: September 2021

Abstract
Concrete is a very effective material for the construction of buildings and infrastructure around the world. Unfortunately, typical concrete is a large contributor to CO2 emissions and consumption of natural reserves. CO2 Concrete allows the mitigation of these downfalls by carbonating recycled aggregate, reducing CO2 emissions, reusing crushed masonry materials and conserving virgin aggregate. CO2 Concrete can also be considered reliable as its compressive strength can be accurately predicted by both regression analysis and artificial neural networks. The artificial neural network created for this paper allow accurate prediction of the compressive strength for CO2 Concrete. The artificial neural network exhibited a strong relationship with the experimental specimens, revealing a multiple R of 0.98 and an R square of 0.95. The artificial neural network was also validated by 22 laboratory validation concrete mixes. The artificial neural network displayed an average error of 1.24 MPa or 3.43% in the validation mixes with 59% of concrete samples within 3% error and 77% being within 5% error. The successful prediction of compressive strength of CO2 Concrete can help a greater mainstream use of the green material.
Family and Developmental History of Female Versus Male Adolescents With ADHD: Disorder-specific Overlap but Few Gender Differences
Authors: Waltereit Johanna , Zimmer Jonas , Roessner Veit , Waltereit Robert 
Published: September 2021

Abstract
Background: Gender differences in the development of children and adolescents are well known in the psychiatric examination including the clinical diagnostic interview technique. Some gender-specific differences in behaviors of patients as assessed in the clinical examination are related to typical development and some are related to disorders. Family and developmental history is an important part of the clinical diagnostic interview. Attention-deficit/hyperactivity disorder (ADHD) is associated with disorder-specific markers in family and development history. However, it is unclear to what extent ADHD-specific signs and narratives differ between female and male adolescents. The aim of this study was to assess and to compare the family and developmental history profiles of female versus male adolescents with ADHD.Methods: Data were collected using the clinical diagnostic interview technique from parents of female and male patients diagnosed with ADHD (ICD-10 F90.0, F90.1 and F98.8) between the ages of 12 and 17 years (n = 92). The two groups were matched in pairs for gender, IQ and ICD-10 diagnosis (F90.0, F90.1 and F98.8). The majority of interview data were non-metric and operationalized in three categories: 0 - normal behavior, 1 - minor pathological behavior, 2 - major pathological behavior. The two groups were compared with two-way ANOVA. Results: Female in comparison to male adolescents were reported by the parents with very few differences in items that are typical for ADHD. However, there were a few differences in items in which gender-specific differences are known regardless of ADHD. Conclusions: Our study suggests that ADHD-related items in family and developmental history, as obtained with the clinical diagnostic interview technique, appear in female compared to male adolescents more similar than different.
Can the PTV Volume Be Used to Predict the Better Solution in Manual and Automatic Planning Using the Pinnacle Treatment Planning System for Lung Stereotactic Body Radiation Therapy?
Authors: Duan Yanhua , Shao Yan , Chen Hua , Wang Hao , Gu Hengle , Feng Aihui , Huang Ying , Lin Yang , Kong Qing , Xu Zhiyong 
Published: September 2021

Abstract
Purpose: The plan quality of the stereotactic body radiation therapy (SBRT) plan is affected by the patient’s planning target volume (PTV). The predictability of PTV volume and cut-off points were investigated to judge the suitability of manual and automatic plans for lung SBRT patients.Methods: The manual and automatic SBRT plans were retrospectively designed using the Pinnacle 16.2 treatment planning system (TPS) for 98 lung cancer patients. the suitability of manual and automatic plans for each patient is comprehensively evaluated. Receiver operating characteristic (ROC) analysis was used to investigate the predictability of PTV volume and determine the cut-off point. Once the cut-off point exists, all patients were divided into two groups according to this cut-off point. The Wilcoxon signed-rank test was performed for the dosimetric comparisons between the two groups. Results: ROC analysis showed that PTV volume (AUC [Area under curve]: 0.918, p= 0.005) has diagnostic power to predict the suitability of manual and automatic plans for lung SBRT patients. The cut-off points of 22.675cc were selected for PTV volume. Regardless of some comparable results, the CI, GI, V10, and V20 of automatic plans were found to be better than manual plans below the cut-off points, and the manual plan is superior to the automatic plan in HI, GI, heart d15cc, V10, V20 above the cut-off points.Conclusion: The PTV volume of cut-off points (22.675cc) are predictive of the suitability of manual and automatic plan using Pinnacle TPS for lung SBRT patients. Automatic plans were recommended for patients with PTV volumes less than 22.675cc, and manual plans can be tried for patients with larger PTV volumes.
Fusobacterium Nucleatum Affects Cell Apoptosis by Regulating Intestinal Flora and Metabolites to Promote the Development of Colorectal Cancer
Authors: Yu Tingting , Ji Ling , Lou Liqin , Ye Shiqing , Fang Xiaoting , Jiang Feizhao , Lou Yongliang , Li Xiang 
Published: September 2021

Abstract
Background/Aims:
Intestinal flora, especially Fusobacterium nucleatum (Fn), can affect the development of colorectal cancer (CRC). In this study, we examined the composition of intestinal flora and metabolites in the tissues, serum and feces of CRC patients.
Materials and Methods
CRC tissues, adjacent normal colonic tissues, and fecal and serum samples were collected from CRC patients who received surgical treatment between January 2018 and January 2020. Fecal and serum samples were collected from healthy individuals for comparison. In addition, fecal samples were collected from BALB/c female mice. SW480, a human CRC cell line, was utilized for in vitro studies.
Results
The abundance of Bacteroides and propionic acid concentration were decreased. The abundance of Lactobacillus and lactic acid concentration were increased in CRC tissues. KEGG pathway analysis showed that Bacteroides and Lactobacillus were related to the apoptotic pathway. Additionally, lactic acid inhibited and propionic acid promoted apoptosis among SW480 CRC cells. Similar findings were noted in the feces of Fn gavage mice. In addition, the abundances of Ruminococcus, Prevotella, and Sutterell were decreased in CRC patients. The levels of leucine and isoleucine were decreased in the serum and tumor tissues of CRC patients. Aspartate, glutamate and glutathione levels were elevated in the tissues of CRC patients only. The serum glutamine, tyrosine, valine, alanine, and histidine levels were decreased significantly.
Conclusions
Fn affected the apoptosis of CRC cells and promoted the progression of CRC by affecting the distribution of intestinal flora, which altered the concentrations of metabolites such as lactic acid, propionic acid, and amino acids.
Activating Transcription Factor 5 (ATF5) Promotes Tumorigenic Capability and Activates the Wnt/b-Catenin Pathway in Bladder Cancer
Authors: Zhou Junhao , Tian Hu , Zhi Xi , Xiao Zhuoyu , Chen Taoyi , Yuan Haoyu , Chen Qi , Chen Mingkun , Yang Jiankun , Zhou Qizhao , Xue Kangyi , Guo Wenbin , Xia Ming , Bao Jiming , Yang Cheng , Duan Haifeng , Wang Hongyi , Huang Zhipeng , Zhu Ting , liu cundong 
Published: September 2021

Abstract
Background
In bladder cancer, up to 70% of patients will relapse after resection within 5 years, in which the mechanism underlying the recurrence remains largely unclear.
Methods
Quantitative real-time PCR, western blot and immunohistochemistry were conducted. The assays of tumor sphere formation and tumor xenograft were further performed to assess the potential biological roles of ATF5 (activating transcription factor 5). Chromatin immunoprecipitation-qPCR and luciferase activity assays were carried out to explore the potential molecular mechanism. A two-tailed paired Student's t-test, χ2 test, Kaplan Meier and Cox regression analyses, and Spearman's rank correlation coefficients were used for statistical analyses.
Results
ATF5 is elevated in bladder urothelial cancer (BLCA) tissues, especially in recurrent BLCA, which confers a poor prognosis. Overexpressing ATF5 significantly enhanced, whereas silencing ATF5 inhibited, the capability of tumor sphere formation in bladder cancer cells. Mechanically, ATF5 could directly bind to and stimulate the promoter of DVL1 gene, resulting in activation of Wnt/β-catenin pathway.
Conclusions
This study provides a novel insight into a portion of the mechanism underlying high recurrence potential of BLCA, presenting ATF5 as a prognostic factor or potential therapeutic target for preventing recurrence in BLCA.
Identification and validation of HSD11B2 as a biomarker for metastasis and prognosis of clear cell renal cell carcinoma
Authors: Miao Shiqi , Song Jing , Wang Teng , Rao Qingmao , Tang Yongyao , Lai Jiayi , Luo Xiaoyong , Wang Huirui , Ran Longke 
Published: September 2021

Abstract
Background : Metastasis of clear cell renal cell carcinoma (ccRCC) is an important cause of death. The purpose of this study was to study the key gene in the process of tumor metastasis of ccRCC.
Methods : Expression profiles of metastatic ccRCC and primary ccRCC were downloaded from the GEO database. Expression profiling and clinical data of ccRCC were downloaded from The Cancer Genome Atlas (TCGA) dataset. The R limma package was used to identify differentially expressed genes (DEGs). Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis were conducted for overlapping DEGs. Verification of mRNA expression and survival analysis in the GEPIA2 database further identified the key gene. The expression of the key gene in clinical specimens was detected by quantitative real-time PCR (qRT-PCR). Univariate and multivariate cox analysis were performed to determine whether the key gene was independent prognostic factor. Gene Set Enrichment Analysis (GSEA) was used to identify HSD11B2 related signaling pathways. The correlations between the key gene and tumor immune infiltrates were investigated via TISIDB database.
Results ：A total of 20 DEGs were screened from GSE22541, GSE85258, and GSE105261 datasets. Enrichment analysis indicated that the DEGs were mainly enriched in the extracellular matrix organization, collagen-containing extracellular matrix, extracellular matrix structural constituent, and protein digestion and absorption. Verification of mRN expression and survival analysis identified the key gene HSD11B2. qRT-PCR results showed A that HSD11B2 level was significantly down-regulated in ccRCC tissues compared with adjacent normal tissues. Multivariate Cox regression analysis showed that HSD11B2 expression was an independent prognostic factor for ccRCC patients. GSEA enrichment results showed that low expression of HSD11B2 could enrich cancer signaling pathways such as Nod-like receptor signaling pathway, cytoplasmic DNA sensing pathway and P53 signaling pathway. Immune analysis showed a significant correlation between HSD11B2 and tumor immune infiltrates in ccRCC.
Conclusions : These findings suggest that HSD11B2 may play a key role in the metastasis of ccRCC, and HSD11B2 is correlated with prognosis and tumor immune infiltrates.
Autologous osteochondral transplantation method of treatment for recurrent anterior shoulder instability
Authors: Zhang Mingtao , Yang Zhitao , Liu Jiaxin , Jia Yaofei , Zhang Guangrui , Zhou Jianping , Wu Ding , yun xiangdong 
Published: September 2021

Abstract
BackgroundGenerally, the treatment of recurrent anterior shoulder instability is a challenge in the orthopedics with various treatment methods. There is a high recurrence rate for those patients with high activity and glenoid bone lesion less than 20% after Bankart procedure. The authors present a novel surgical technique using autologous osteochondral transplantation (AOT) method for recurrent anterior shoulder instability.MethodsBetween 2019 to 2021, 7 patients (five man and two women; mean age 35.1 years (range 17–55 years)) with recurrent anterior shoulder instability and glenoid bone lesion of 20% or less were treated with AOT method. All patients were available for follow-up at a mean of 25.4 months (range, 16 to 32 months), including Rowe score, Oxford Shoulder Score (OSS), Simple Shoulder Test (SST), and 3-dimensional computed tomography examination.ResultsThe mean preoperative and postoperative Rowe score were calculated to be 25.7 ± 6.7 (range, 20–35) and 90.6 ± 2.4 (range, 85–95), respectively (p < 0.01). The mean preoperative and postoperative Oxford score were 36.4 ± 5.6 (range, 30–40) and 54.6 ± 2.4 (range, 50–57), respectively (p < 0.01). The mean preoperative and postoperative SST score were 6.9 ± 0.7 (range, 6–8) and 11.5 ± 0.7 (range, 11–12), respectively (p < 0.01). The average final forward flexion was 176° (affected shoulder), compared with 177° on the non-affected shoulder (P = 0.81). The average final abduction in external rotation was 86.6° (affected shoulder), compared with 89° on the non-affected shoulder (P = 0.31). Analysis of Computed Tomography (CT) data at an average 1 years postoperative showed that a mean glenoid bony gain of 16.7% was observed (range, 11.2%-19%, SD 3.6).ConclusionThis technique can be a useful option, particularly in patients with glenoid bone defect less than 20%. In addition, AOT technique may be considered as alternative to the Latarjet procedure. Nonetheless, further biomechanical and clinical studies are needed to determine the effect of this procedure to more commonly utilized techniques.Level of EvidenceLevel IV; Case series
Development and Evaluation of Bidirectional LSTM Freeway Traffic Forecasting Models Using Simulation Data
Authors: Abduljabbar Rusul L. , Dia Hussein , Tsai Pei-Wei 
Published: September 2021

Abstract
Long short-term memory (LSTM) models provide high predictive performance through their ability to recognize longer sequences of time series data. More recently, bidirectional deep learning models (BiLSTM) have extended the LSTM capabilities by training the input data twice in forward and backward directions. In this paper, BiLSTM short term traffic forecasting models have been developed and evaluated using data from a calibrated micro-simulation model for a congested freeway in Melbourne, Australia. The simulation model was extensively calibrated and validated to a high degree of accuracy using field data collected from 55 detectors on the freeway. The base year simulation model was then used to generate loop detector data including speed, flow and occupancy which were used to develop and compare a number of LSTM models for short-term traffic prediction up to 60 minutes into the future. The modelling results showed that BiLSTM outperformed other predictive models for multiple prediction horizons for base year conditions. The simulation model was then adapted for future year scenarios where the traffic demand was increased by 25-100 percent to reflect potential future increases in traffic demands. The results showed superior performance of BiLSTM for multiple prediction horizons for all traffic variables.
The continuous and changing impact of affect on risky decision-making
Authors: Asutay Erkin , Västfjäll Daniel 
Published: September 2021

Abstract
Affective experience has an important role in decision-making with recent theories suggesting a modulatory role of affect in ongoing subjective value computations. However, it is unclear how varying expectations and uncertainty dynamically influence affective experience and how dynamic representation of affect modulates risky choices. Using hierarchical Bayesian modeling on data from a risky choice task (N = 101), we find that the temporal integration of recently encountered choice parameters (expected value, uncertainty, and prediction errors) shapes affective experience and impacts subsequent choice behavior. Specifically, experienced arousal prior to choice was associated with increased loss aversion, risk aversion, and choice consistency. Taken together, these findings provide clear behavioral evidence for continuous affective modulation of subjective value computations during risky decision-making.
Can the Dongzhaigang Mangrove in China Adapt to Sea Level Rise in the Future?
Authors: Ding Ruyi , Cai Rongshuo , Yan Xiuhua , Sun Jiang , Tan Hongjian , Men Wu , Guo Haixia 
Published: September 2021

Abstract
Considering climate change, coastal mangroves are facing serious threats from rising sea levels. However, whether the largest contiguous Dongzhaigang mangrove in China can adapt to future sea level rise, which is very critical for mangrove restoration and management, has been little known. Using the data of historical monitor since the 1950s, supplementary field research of mangrove wetland sediment rates measured, satellite remote sensing, digital elevation model, global climate models, and ArcGIS, we investigated the Dongzhaigang mangrove area changes, related causes, and the impacts of future sea level rise under greenhouse gas emission scenarios, as representative concentration pathways (RCPs) 2.6, 4.5, and 8.5. The study revealed that: (1) during 1956–1987, total mangrove area had decreased by ~ 50%, from ~ 3417 hm2 to ~ 1710 hm2. This was mainly because of the impacts of human activities, such as fish pond reclamation and the use of former mangrove land for economic tree planting. After the 1990s, the total mangrove area was maintained at ~ 1711 hm2, mainly because of the establishment of the nature reserve in 1986, along with protective and restorative measures; (2) under the intermediate and high RCP 4.5 and 8.5, sea level increases are likely to cause > 25% of the mangroves to disappear by 2100, whereas for the low RCP 2.6, only 17% of the mangroves are likely to be affected; and (3) taking measures such as reestablishing ponds as mangrove forests, plant restoration, and biological shore protection could improve the adaptation of mangroves to the impacts of rising sea levels.
Effects of curcumin on cystic fibrosis: a systematic review protocol
Authors: Albuquerque Izabela Zibetti , Costa Lusmaia Damaceno Camargo , Fortes Patrícia Marques , Abe Guilherme Matos , Costa Paulo Sérgio Sucasas da 
Published: September 2021

Abstract
Background: Cystic Fibrosis is a genetic disease characterized by a mutation in the cystic fibrosis transmembrane conductance regulator (CFTR) gene, responsible for encoding the protein that regulates the function of chlorine and sodium channels in the cell membrane. The bioactive compound curcumin has shown modulating and restorative effects on sodium, chlorine and water transport, and seems to be a candidate to act in the expression of the function of the chlorine channels. The purpose of this protocol is to demonstrate scientific evidence of molecular and clinical effects of curcumin in cell cultures, animals and subjects with cystic fibrosis.Methods: The search will be conducted in the following databases - MEDLINE/PubMed, SCOPUS, Cochrane Library and EMBASE. Reviewers will select original intervention (in vitro and in vivo) and/or observational articles that analyzed the effects of curcumin on cystic fibrosis. The methodological quality of the studies will be assessed by the Joana Briggs Institute's Checklist for Quasi-Experimental Studies. The GRADE tool will be applied to grade the quality of evidence.Discussion: To date, no systematic reviews have been published that assessed molecular and clinical effects of curcumin on cystic fibrosis. Upon completion of this systematic review, it is expected that the evidence found may contribute to the development of therapeutic formulations capable of modulating the function of the CFTR protein, restoring its properties, and contributing to the reduction of systemic clinical manifestations of cystic fibrosis.Systematic review registration: PROSPERO CRD42021229294