bluuebunny/crossref_metadata_2025_split huggingface dataset:
Artificial Intelligence Paradigm for Ligand-Based Virtual Screening on the Drug Discovery of Type 2 Diabetes Mellitus
Authors: Bustamam Alhadi , Hamzah Haris , Husna Nadya Asanul , Syarofina Sarah , Dwimantara Nalendra , Yanuar Arry , Sarwinda Devvi 
Published: January 2021

Abstract
Background: New dipeptidyl peptidase-4 (DPP-4) inhibitors need to be developed to be used as agents with low adverse effects for the treatment of type 2 diabetes mellitus. This study aims to build quantitative structure-activity relationship (QSAR) models using the artificial intelligence paradigm. Random Forest and Deep Neural Network are used to predict QSAR models. We compared principal component analysis (PCA) with sparse PCA as methods for transforming Rotation Forest. K-modes clustering with Levenshtein distance was used for the selection method of molecules, and CatBoost was used for the feature selection method. Results: The amount of the DPP-4 inhibitor molecules resulting from the selection process of molecules using K-Modes clustering algorithm is 1020 with logP range value of -1.6693 to 4.99044. Several fingerprint methods such as extended connectivity fingerprint and functional class fingerprint with diameters of 4 and 6 were used to construct four fingerprint datasets, ECFP_4, ECFP_6, FCFP_4, and FCFP_6. There are 1024 features from the four fingerprint datasets that are then selected using the CatBoost method. CatBoost can represent QSAR models with good performance for machine learning and deep learning methods respectively with evaluation metrics, such as Sensitivity, Specificity, Accuracy, and Matthew's correlation coefficient, all valued above 70% with a feature importance level of 60%, 70%, 80%, and 90%.Conclusions: The K-Modes clustering algorithm can produce a representative subset of DPP-4 inhibitor molecules. Feature selection in the fingerprint dataset using CatBoost is best used before making QSAR Classification and QSAR Regression models. QSAR Classification using Machine Learning and QSAR Classification using Deep Learning, each of which has an accuracy of above 70%. The Rotation Forest (PCA) model performed better than the Rotation Forest (Sparse PCA) model, both in the QSAR Classification and QSAR Regression model because the Rotation Forest (PCA) has a more effective time than the Rotation Forest (Sparse PCA).
Frond Architecture of The Rootless Duckweed Wolffia Globosa
Authors: Yang Jingjing , Zhao Xuyao , Li Gaojie , Hu Shiqi , Hou Hongwei 
Published: January 2021

Abstract
Background: The plant body of duckweed species has undergone reduction and simplification from the ancient Spirodela species towards more-derived Wolffia species. Among the five duckweed genera, Wolffia members are rootless and represent the smallest and most-reduced species. However, we lack detailed knowledge about their structure. Results: We conducted a comprehensive study of the morphology and anatomy of Wolffia globosa, the only Wolffia species in China. We first used X-ray microtomography imaging to reveal the three-dimensional and internal structure of the W. globosa frond. This showed that new fronds rapidly budded from the hollow reproductive pocket of the mother fronds and that several generations at various developmental stages could coexist in a single W. globosa frond. Using light microscopy, we observed that the meristem area of the W. globosa frond was located at the base of the reproductive pocket and composed of undifferentiated cells that continued to produce new buds. A single epidermal layer surrounded the W. globosa frond, and the mesophyll cells varied from small and dense palisade-like parenchyma cells to large, vacuolated cells from the ventral to the dorsal part. Furthermore, W. globosa fronds contained all the same organelles as other angiosperms; the most prominent organelles were chloroplasts with abundant starch grains. Conclusions: Our study revealed that the reproductive strategy of W. globosa plants enables the rapid accumulation of biomass and the wide distribution of this species in various habitats. Despite their reduced body plan and size, the simplicity of the W. globosa frond might be overestimated. We propose that W. globosa plants are not only suitable for the study of structural reduction in higher plants, but also an ideal system to explore fundamental developmental processes of higher plants that cannot be addressed using other model plants.
Impacts of nursing work environment and burnout on turnover intentions among nurses in Ghana
Authors: Poku Collins Atta , Donkor Ernestina , Naab Florence 
Published: January 2021

Abstract
Background

Professional practice environment supports excellence and decent work and has the influence to entice and retain quality-nursing workforce. In high-resourced settings, significant number of studies exist to prove that professional practice environment with low levels of burnout play important role in enhancing patients’ and staff job outcomes. Appreciating the dynamics that affect turnover intention of nurses offer reasonable solutions to the challenges of nursing shortage, which directly influence quality of nursing care. Few studies undertaken on the subject in Ghana, however focused on miners, workers in the hotel industry, and worker telecommunication. There is evidently paucity of information on the impacts of nursing practice environment on turnover intentions among nurses in Sub-Saharan African. The study therefore aimed at determining the predictors of turnover intentions among nurses in Ghana.
Methods

A cross-sectional approach using a simple random and proportionate stratified sampling with a sample of 232 nurses completed validated instruments measuring work environment, burnout and turnover intentions. Descriptive and regression analysis were done on the various variables.
Results

While most nurses had positive perception about their work environment, greater number of them had turnover intentions. There was also significant associations between nursing work environment facets and turnover intention. The age of the nurse, years in nursing and the personal accomplishment of the nurse were significant predictors of turnover intentions of the nurse.
Conclusion

Burnout in any dimension results from unhealthy workplace; and unduly influences nurses’ turnover intention. This phenomenon can potentially affect the human resource management and the consequentially poor quality of nursing care provided to patients. Ensuring positive work setting and reduced burnout can therefore improves retention of nurses at their workplace.
Effect of Additional Administration of Topical Tranexamic Acid in Patients Undergoing Primary Total hip Arthroplasty Without Drainage
Authors: Jin Jing Yao , Li Qing Song , Yoon Taek Rim , Jin Sheng Yu , Kim Min Gwang , Park Kyung-Soon 
Published: January 2021

Abstract
Introduction: This study was designed to compare the clinical results of additional administration of topical tranexamic acid (TXA) with intravenous TXA (IV-TXA) and to determine its effect in patients undergoing primary total hip arthroplasty (THA) without drainage using propensity score matching analysis.Methods: A total of 248 patients (248 hips) underwent primary THA from March 2016 to June 2018. Patients who received topical TXA and IV-TXA were included in the combined group (46 patients), and patients who received IV-TXA were included in the IV only group (202 patients). After propensity score matching, both groups consisted of 44 patients (88 patients in total). We compared the results of total blood loss (TBL), haemoglobin (Hb) level, Hb drop, and the incidence of deep vein thrombosis (DVT) and pulmonary embolism (PE). Results: In the combined group, the TBL was 280.4 ± 64.2 mL, which was significantly lower than that in the IV only group (335.3 ± 75.3 mL; p < 0.001). From the preoperative period to 1-week postoperatively, Hb levels were not significantly different between the two groups. There was significantly more Hb drop in the IV only Group from immediate postoperative to postoperative day 3 (POD 3). In both groups, no patient presented with postoperative symptomatic DVT or PE. Conclusion: In patients undergoing primary THA without drainage, combined use of IV-TXA and topical TXA can significantly decrease blood loss without influencing postoperative complications.
Open Reduction and Internal Fixation for Displaced Salter-Harris type II Fractures of the Distal Tibia: A Retrospective Study of Eighty-Five Cases in Children
Authors: Yuan Quanwen , Zhen Yunfang , Guo Zhixiong , Zhang Fuyong , Fang Jianfeng , Zhu Zhenhua , Zhu Lunqing , Shen Xiaofang , Yin Chunhua , Liu Yao , Yao Feng , Wu Lin , Wang Xiaodong 
Published: January 2021

Abstract
Background: The treatment for displaced Salter-Harris Ⅱ distal tibia fractures remains controversial. The purpose of this study was to evaluate the rate of premature physeal closure (PPC) and to identify the risk factors treated by open reduction and internal fixation.Methods: We reviewed the charts and radiographs of patients with Salter-Harris Ⅱ fractures of the distal tibia with displacement >3mm between 2012 and 2019. Open reduction and internal fixation was performed for all patients. Patients were followed up for a minimum of 4 months. Contralateral ankle radiograph or CT scans were obtained if there was any evidence of premature physeal closure. Any angular deformity or shortening of the involved leg was documented.Results: A total of 85 patients with a mean age of 12.3years were included in the study. The mean initial displacement was 8.5 mm. All patients but one were treated within seven days after injury and the mean interval was 3.7 days. SER injuries occurred in 65 patients (76.5%), PER in 17 (20.0%), and SPF in three (3.5%). The rate of PPC was 29.4% and two patients with PPC had varus deformities. The rate of PPC was significantly greater in patients with associated fibular fracture as compared with those with intact fibular (P=0.005). Patient age, gender, injured side, mechanism of injury (only SER vs PER), amount of initial displacement, interval from injury to surgery, or energy of injury did not affect the rate of PPC significantly. Conclusions: PPC is a common complication for displaced S-H Ⅱ distal tibia physeal fractures. We suggest that open reduction internal fixation is an effective choice to reduce the risk of PPC. The presence of concomitant fibula fracture was associated with PPC.
Clinical Analysis of 9 Cases of Neonatal Influenza A
Authors: Zhang Yanlan , Xu Lin , Wang Caiying , Pang Lin 
Published: January 2021

Abstract
Background: The population is generally susceptible to influenza A, while neonatal cases are relatively rare. The study aims to explore the clinical characteristics, diagnosis, treatment, and prognosis of neonates with influenza A.Methods: The clinical data from neonates with influenza A who were treated in the neonatal department of Beijing Ditan Hospital affiliated with Capital Medical University from November 2017 to January 2019 were retrospectively analyzed.Results: A total of 9 neonates with influenza A were admitted and treated, with a distribution of 7 males and 2 females. The onset was 1.44 ± 1.46 days (mean ± SD), and age at diagnosis was 21.44 ±6. 53 days. All cases had a history of exposure to febrile patients, The main symptoms are fever, nasal congestion, runny nose, sneezing, coughing, other respiratory symptoms and digestive symptoms such as vomiting milk, choking milk, less milk, diarrhea. Laboratory tests showed 7 cases of decreased white blood cell counts, 3 cases of increased plasma C-reactive protein concentrations. All cases were administered antiviral therapy on the day of admission. Eight neonates reverted to a normal temperature within 48 hours after hospitalization, one neonate’s temperature returned to normal after 48 hours of hospitalization, and all cases' symptoms gradually improved.Conclusion: The symptoms of influenza A in neonates are atypical, once a diagnosis is confirmed, the prognosis is likely to be favorable as long as antiviral treatment with antiviral is initiated as soon as possible.
Postoperative Pain Treatment with Transmuscular Quadratus Lumborum Block and Fascia Iliaca Compartment Block in Patients Undergoing Total Hip Arthroplasty: A Randomized Controlled Trial
Authors: Xia Qin , Ding Wenping , Lin Chao , Xia Jiayi , Xu Yahui , Jia Mengxing 
Published: January 2021

Abstract
Background: Patients after total hip arthroplasty (THA) often suffered moderate or even severe pain, seriously affecting the early postoperative recovery. This study aimed to investigate the analgesic efficacy of ultrasound-guided transmuscular quadratus lumborum block (T-QLB) combined with fascia iliaca compartment block (FICB) for elderly patients undergoing THA.Methods: Sixty-four patients scheduled for THA were included in this randomized controlled study. The patients were divided into two groups: group Q and group QF. Before anesthesia induction, group Q was injected with 0.375% ropivacaine 40ml. In the QF group, T-QLB combined with FICB was injected with 0.375% ropivacaine 20ml, respectively. Paracetamol 1g regularly at 6 h intervals and patient-controlled intravenous analgesia (PCIA) were administrated in both groups postoperatively. The primary outcome was cumulative sufentanil consumption via PCIA on postoperative 24 h. The secondary outcomes included pain degree, time to the first analgesic requirement, range of motion, quality of recovery, and the incidence of postoperative complications.Results: Compared with the group Q, the cumulative sufentanil consumption were significantly lower in group QF at 6-12, 12-18, 18-24, and 24h (49.29±16.76 vs. 31.42±18.81μg, P <0.001) after surgery. The postoperative pain intensity was lower in group QF at rest after 6, 12, and 24 h (P <0.05) and at activity after 6, 12, 18, and 24 h (P <0.05). Group QF had higher Qor-15 scores at postoperative 24 h and 48 h (P <0.001) and longer duration before the first opioid require via PCIA (P <0.001) postoperatively than group Q. There was no statistically significant difference between the two groups for complications postoperatively of elderly.Conclusions: Our study provides a multimodal, opioid-sparing analgesic regimen for elderly patients in THA. The combination of T-QLB and FICB provides a significant advantage for early postoperative functional recovery. Further studies are required to confirm the minimum effective dose.Trial registration: Chinese Clinical Trial Registry(ChiCTR2000038686).
SLC6A3 (DAT1) as a novel candidate biomarker gene for suicidal behavior: a pilot study
Authors: Rafikova Ekaterina , Shadrina Maria I. , Slominsky Peter A. , Guekht Alla B. , Ryskov Aleksei P. , Shibalev Dmitry V. , Vasilyev Vasiliy A. 
Published: January 2021

Abstract
Objective This study aims to estimate the contribution of 11 polymorphisms in the genes SLC6A4 (5HTT), HTR1A, HTR2A, HTR1B, SLC6A3 (DAT1), DRD4, DRD2, COMT and BDNF to suicidal behavior and severity of symptoms of depression and anxiety in Russian population.Methods The study was performed on 100 patients with repeated suicide attempts and 154 controls. The SNP and VNTR genotyping was carried out using locus-specific PCR. Logistic regression approach was applied to establish associations between gene polymorphisms and risk of suicidal attempts. Negative binomial regression was used to analyze association between genotypes and count variables: severity of depressive symptoms, personal anxiety and situational anxiety. Results We have first found an association between SLC6A3 (DAT1) 40 bp VNTR locus and suicidal behavior. This association was significant in the co-dominant (P = 0.006), dominant (P = 0.001), over-dominant (P = 0.004) and log-additive (P = 0.004) models, LL genotype played a protective role (OR = 0.48, 0.29–0.82). Difference in the genotypes distribution of COMT rs4680 was significant in the co-dominant (P = 0.04), dominant (P = 0.013) and log-additive (P = 0.02) models, and AA genotype might protect against suicide (OR = 0.49, 0.26–0.91). SLC6A4 5-HTTLPR+rs25531 locus was significant only in the recessive model (P = 0.024) and also affected the severity of symptoms of depression (P = 0.044) and personal anxiety (P = 0.029). Conclusions Our results suggest that allelic variants of SLC6A3, COMT and SLC6A4 genes might be considered as risk factors for suicidal attempts.
Multi-source data fusion method for structural safety assessment of water diversion structures
Authors: Zhang Sherong , Liu Ting , Wang Chao 
Published: January 2021

Abstract
Building safety assessment based on single sensor data has the problems of low reliability and high uncertainty. Therefore, this paper proposes a novel multi-source sensor data fusion method based on Improved Dempster–Shafer (D-S) evidence theory and Back Propagation Neural Network (BPNN). Before data fusion, the improved self-support function is adopted to preprocess the original data. The process of data fusion is divided into three steps: Firstly, the feature of the same kind of sensor data is extracted by the adaptive weighted average method as the input source of BPNN. Then, BPNN is trained and its output is used as the basic probability assignment (BPA) of D-S evidence theory. Finally, Bhattacharyya Distance (BD) is introduced to improve D-S evidence theory from two aspects of evidence distance and conflict factors, and multi-source data fusion is realized by D-S synthesis rules. In practical application, a three-level information fusion framework of the data level, the feature level, and the decision level is proposed, and the safety status of buildings is evaluated by using multi-source sensor data. The results show that compared with the fusion result of the traditional D-S evidence theory, the algorithm improves the accuracy of the overall safety state assessment of the building and reduces the MSE from 0.18 to 0.01%.
Conflict or cooperation? How does precipitation change affect transboundary hydropolitics?
Authors: Xia Qifan , Qian Chaofeng , Du Debin , Zhang Yang 
Published: January 2021

Abstract
Global climate change affects hydrology and ecology, and aggravates the contradiction between water resources supply and demand, thus leading to transboundary water conflict and cooperation attracting increasing attention. This paper uses the precipitation data sourced from the Global Precipitation Climatology Centre, hydropolitical data collected from the Transboundary Freshwater Disputes Database and, for approximately half a century of socioeconomic indicator for countries, to discuss the relationship between precipitation change and transboundary hydropolitics. As demonstrated by the panel regression results, lower precipitation would lead to more water conflicts and more significant change of precipitation would lead to more water hydropolitical events. This result remains robust after adjustment being made to the defined thresholds of conflict and cooperation. The findings suggest that the countries in a transboundary river ought to avoid conflict and seek more cooperation, considering the uncertain prospect of precipitation changes.
A comparison of regionalization methods in monsoon dominated tropical river basins
Authors: Soni Pramod , Tripathi Shivam , Srivastava Rajesh 
Published: January 2021

AbstractThe present study evaluated five regionalization methods: global averaging; regression; spatial proximity; behavioral similarity and artificial neural network (ANN) for Soil and Water Assessment Tool (SWAT), using data from 24 river basins in monsoon dominated tropical river basins of peninsular India. Regionalization was performed for each basin using the remaining 23 basins. The performance of the calibration and thus the regionalization method is limited by the unreliable or erroneous data at the basins. Overall, we found that the regression method outperforms other regionalization methods in terms of predicting the daily as well as peak discharges. It was found that despite showing a better R2 in training, testing and validation, the ANN method performed poorly probably due to a lower number of training data. Therefore, it is suggested that the ANN should be avoided for regionalization in the absence of sufficient training data. Moreover, the regression equations developed in the present study can be utilized to predict SWAT parameters of basins located in the vicinity of the study area. However, the basins located far away from the group of catchments or having diverse characteristics should be avoided for regionalization.
Modelling the impact of water temperature, pipe, and hydraulic conditions on water quality in water distribution networks
Authors: Mohammed Hadi , Tornyeviadzi Hoese Michel , Seidu Razak 
Published: January 2021

Abstract
Identifying and controlling the drivers of change in the quality of water within distribution systems requires a comprehensive understanding of the individual and interactive effects of relevant factors. This article examines the impact of water temperature, pipe characteristics, and hydraulic conditions on the microbiological, physical, and chemical parameters of water quality in the distribution network using Bayesian Dirichlet process mixture of linear models and random forest method. The study was based on a database of the distribution network for the city of Ålesund in Norway and records of water quality data measured at seven different locations in the network from 2013 to 2019. In both modelling approaches applied, temperature was identified as the main factor that controls the microbiological stability of water in the network. From the minimum to the maximum values of temperature in the pipes (3.35 °C–11.14 °C respectively), the probabilities of occurrence of bacteria in water increased from 0.36 to 0.95. Temperature was also shown to be an important factor that affects the chemical parameters of water quality (pH, alkalinity and electrical conductivity). Among the input parameters included in this study, concentration of residual chlorine was shown to have the strongest growth-inhibiting effect on Total Bacteria in the pipes. The results further showed that changes in the hydraulic conditions in the pipes (residence time and flow) were among the most important determinants of the physical, chemical and microbiological quality of water in the distribution network. The random forest models assigned minimal importance to the pipe characteristics and conditions on changes in the water quality parameters. However, the Bayesian models revealed that these parameters have significant impact on the quality of water in the pipes.
Removal of lead from aqueous solutions and wastewaters using water hyacinth (Eichhornia crassipes) roots
Authors: Jahangiri Farah Monowara , Moutushi Hasina Tasmin , Moniruzzaman Md. , Hoque Sirajul , Hossain Mohammad Enayet 
Published: January 2021

Abstract
Dried ground roots of water hyacinth (Eichhornia crassipes) were used for removal of Pb(II) from aqueous solution. Batch adsorption experiments were conducted with the dried roots (0.1 g dry weight) using 100 mg/L of Pb(II) aqueous solution adjusted at pH 5.0. Equilibrium was obtained in 90 min with a 92% removal of Pb(II). The effect of contact time, pH, adsorbent dosage, initial metal ion concentration on the adsorption of Pb(II) were also studied. Kinetic studies indicated that the adsorption of Pb(II) followed the pseudo-second-order model with a reaction rate constant (k) of 0.0127 mg/(g.min). Kinetics data conforming to the pseudo-second-order model suggest that chemisorption was the rate-limiting step in the adsorption process. The adsorption data were found to fit best into the Langmuir model (R2 = 0.986). The maximum adsorption capacity was found to be ∼50 mg Pb(II) per g of dried roots. To investigate the feasibility of using the water hyacinth roots in a more realistic situation, wastewaters collected from various sources were also tested with the biosorbent. Significant removal of Pb(II) (∼88% to ∼100%) was observed from the wastewaters at pH 5.0. High adsorption capacity, rapid kinetics, and its low cost make water hyacinth dried roots a good candidate for the removal of Pb(II) from wastewaters.