bluuebunny/crossref_metadata_2025_split huggingface dataset:
Identification of Plant-Based Drug-like Molecules as Potential Inhibitors against hACE2 and S-RBD of SARS-CoV-2 using Multi-step Molecular Docking and Dynamic Simulation Approach.
Authors: Parihar Arpana , Sonia Zannatul Ferdous , Choudhary Nishant kumar , Sharma Palak , Mahdi Iktedar , Hakim Fuad Taufiqul Hakim , Ali Md Ackas , Khan Raju , Alqahtan Mohammed S. , Abbas Mohamed 
Published: April 2022

Abstract
There has been considerable interest to develop effective antiviral drugs with substantial efficacy to the varying lineage of SARS-CoV-2. The plant-based bioactive molecules (phytochemicals) have proven to exhibit promising therapeutic efficacy and immune-modulatory effect due to their inherent broad-spectrum biological properties such as antioxidant, antiviral, and anti-inflammatory with minimal or no side effects. The SARS-CoV-2 infection is initiated upon recognition and binding of the spike (S) Receptor-Binding Domain (RBD) to the host cell surface receptor, human Angiotensin-Converting Enzyme 2 (hACE2). Therefore, the underlying mechanism of interaction between host cell receptors and blocking the virus-cell interaction is considered to be a promising approach for the management and treatment of COVID-19 disease. In the present study, In-silico screening of phytochemicals against two targets of SARS-CoV-2 using a multi-step molecular docking approach was investigated. Based on the Glide-XP docking score, the top 5 molecules were subjected to steered molecular dynamics (SMD) simulation for calculation of binding force, and work done to get mechanistic insight has been carried out. Further, the op 3 ligands with the highest force and work were subjected to molecular dynamics simulation and binding free energy evaluations. The results revealed that the protein-ligand complexes showed stable trajectories throughout the 100 ns simulation. Moreover, the drug likeliness predicted by pKi, LE, ADMET analysis, and Pa & Pi values suggested that the best 3 lead molecules for both the targets (ACE2: Rosavin, Isoorientin, Palasitrin) & (RBD: Cinnamtannin B1, Isoskimmiwallin, Terflavin A) have good inhibitory efficiency, better pharmacokinetics, and are non-toxic under physiological conditions. Thus, these molecules can be used as potential therapeutic drugs against SARS-CoV-2 infection.
First trial of a prototype chain-flail delimber for the European short rotation poplar plantations
Authors: Spinelli Raffaele , Kovac Barnabas , Heger Patrik , Heilig David , Magagnotti Natascia 
Published: April 2022

Abstract
Small tree size represents a main challenge for single-tree handling techniques and caps harvesting productivity in short rotation poplar (SRP) plantations. That challenge is best met by a shift towards mass-handling. Chain flail delimbing is one of the best solutions for multi-tree processing, but commercially available equipment is often too heavy and expensive for European operations. Therefore, an Italian company developed a compact chain flail delimber-debarker (CFDD) specifically designed for small-scale SRP. The machine was tested in Western Slovakia in early March 2022. The test included a five-days endurance trial and a controlled experiment on 16 carefully measured wood piles representing “strong” and “weak” trees, i.e. trees with a mean diameter at breast height (DBH) of 12 and 10 cm, respectively. The endurance trial was quite successful since no mechanical problems were recorded during the five-days period. Delimbing and crosscutting quality were as good as those obtained with a standard processor head, while log yield was generally better, averaging 42% and 68% for the “weak” and the “strong” trees, respectively. Productivity was on a par with the alternative technology options and can be significantly increased once the prototype will be further developed. In general, the new compact CFDD may become the best option for handling the small trees offered by underdeveloped SRP plantations, which cannot be efficiently harvested with the cut-to-length system.
Molecular Dynamics Simulation Study on the Adsorption of Various Biopolymers on Iron Oxide Nanosurface
Authors: Pashmforoush Farzad , Ajori Shahram 
Published: April 2022

Abstract
Biopolymers are widely used in surface modification of magnetic nanoparticles for biomedical applications. To improve the functionality of nanoparticles, it is of great significance to study the interaction mechanisms between these nanoparticles and biopolymers at the atomic level. Hence, in this study, the adsorption process of three different biopolymers (Gum Tragacanth, pectin and carrageenan) on Fe3O4 nanosurface was investigated through molecular dynamics (MD) simulations. In this regard, the adsorption process was first simulated under NVT (constant number of molecules, volume and temperature) condition. Then, the details of the interaction mechanisms between the biopolymers and Fe3O4 were comprehensively studied based on the interaction energies, concentration profiles and radial distribution functions. The obtained results indicated that all of the biopolymers were well adsorbed on the Fe3O4 surface, as a result of the interaction between Fe3O4 and the active atoms of the polymer chains. These interactions were mainly caused by hydrogen bonds formation and van der Waals forces. According to the obtained results, the strongest binding belongs to Fe3O4/carrageenan, followed by Fe3O4/Gum Tragacanth and Fe3O4/pectin, respectively.
Interleukin-31 levels among Dialysis Patients and its relation with chronic kidney disease-associated Pruritus: A Cross-Sectional Study
Authors: Nazzal Zaher , Akkawi Amna , Abdullah Ibtesam , Abdalkarim Mohammed , Tayem Leeda , Khazneh Emad , Taha Adham S. Abu , Basha Walid , Hamdan Zakariya 
Published: April 2022

Abstract
Background: Chronic kidney disease associated-pruritus (CKD-aP) is a common cutaneous complication and an important prognostic factor in patients with chronic kidney disease. The mechanism of Pruritus in those patients is poorly understood. This study aims to assess the burden of CKD-aP among patients receiving dialysis and the role of interleukin -31 in the development of Pruritus.Methods: This cross-sectional study included 183 patients, 172 on hemodialysis and 11 on peritoneal dialysis. Each patient underwent a physical examination and was assessed for Pruritus. The 12-item pruritus severity scale determined the severity of Pruritus. Interleukin -31 levels were measured by ELISA using a special kit. All patients had other lab tests, including hemoglobin, platelets, WBCs, BUN, creatinine, albumin, ALP, total bilirubin, phosphate, calcium, ferritin, iron, transferrin, total iron-binding capacity, parathyroid hormone. Calculation of Kt/V and corrected calcium with albumin were also doneResults: The mean level of interleukin -31 was higher in patients with CKD-aP than in those without Pruritus (4936.6 ±33611.5 vs 3919.2 ±15914.4), but it wasn't statistically significant (p value>0.05). About 52.1% of diabetic patients have CKD-aP (p value=0.01). Phosphate level was significantly higher in patients with CKD-aP compared to those without (4.8 ±1.3 vs 4.4 ±1.3) (p value= 0.002), whereas Albumin level was significantly lower in patients with CKD-aP compared to those without (3.6 ±0.4 vs 3.7±0.4) (p value=0.008). Conclusion: In this study, there was no statistically significant association between interleukin -31 and CKD-aP. We recommend that further research be conducted to determine the role of inflammation in the development of Pruritus in patients with chronic renal disease.
Abnormal hyperphosphorylation of tau in canine immune-mediated meningoencephalitis
Authors: Son Mingyun , Chae Yeon , Kim Sanggu , Yun Taesik , Koo Yoonhoi , Lee Dohee , Kim Hakhyun , Yang Mhan-Pyo , Kang Byeong-Teck , Kim Soochong 
Published: April 2022

Abstract
Background: Tau is a microtubule-associated protein involved in the assembly and stabilization of microtubules. In human medicine, hyperphosphorylation of tau is associated with microtubule instability and is considered to play a role in the progression of multiple sclerosis (MS). MS is an autoimmune neurological disease that shares many characteristics, including pathological mechanisms, with canine meningoencephalitis of unknown etiology (MUE). With this background, this study investigated the presence of hyperphosphorylated tau in dogs with MUE and experimental autoimmune encephalomyelitis (EAE). Methods: Totally, eight brain samples of the dogs were examined that included two neurological normal dogs, three dogs with MUE, and three canine EAE models. Anti-tau (phospho-S396) antibody was used for immunohistochemistry (IHC), which stained hyperphosphorylated tau. Results: In normal brain tissues, the expression of hyperphosphorylated tau was not identified. In all the dogs with EAE and one of the dogs with MUE, immunoreactivity for S396+ p-tau was observed in the glial cell cytoplasm and background in the periphery of the inflammatory lesion.Conclusion: These results suggest for the first time that tau pathology may be involved in the progression of neuroinflammation in dogs, similar to human MS.
Recognition of American Sign Language Using Modified Deep Residual CNN with Modified Canny Edge Segmentation
Authors: Alleema N. Noor , Babeetha S. , Kumar P. Santhosh , chandrasekaran Saravanan , Pandiaraj S , Kumar A. Ranjith , Rajkumar K. 
Published: April 2022

Abstract
American Sign Language (ASL) recognition system aims to recognise hand gestures’ meaningful motions, and it is a crucial solution to communicate between the deaf community and hearing people. However, existing sign language recognising algorithms still have some drawbacks, such as the difficulty of recognising hand movements low recognition accuracy for most of the sign language recognition. To address this problem, a Modified Convolutional Neural Network (MCNN) deep residual 101 classifier-based American Sign Language identification system is developed. There are three main parts present in the method. The first part is preprocessing the images to remove the noise, enhance the contrast of the picture, adjust the contrast level and smoothen the picture using various filters. The second part is the segmentation, and it’s used to partition the image using a modified canny edge detection method by removing all weak edges present in the image. Finally, classification will be done using the Modified CNN deep residual 101 classifiers. By classifying the image, the American Sign Language is accurately identified. This process is conducted through images. The outcome shows that the suggested approach has a 0.95 per cent accuracy and a 0.05 per cent False Positive Rate. Other CNN such as resNet 50 and resNet 18 reached 0.90% and 0.80% accuracy, respectively, which is lower than our proposed method. In addition, the resNet 101 classifier effectively recognises the difficult hand gestures through the image data and obtain high recognition accuracy for 36 signs is 0 to 9 numbers and a to z alphabets from American Sign Language.
Predicting Maize (Zea mays) Productivity under Projected Climate Change with Management Options in Amhara Region, Ethiopia
Authors: Mohammed Adem , Yimer Endris , - Birhan Gessese , Feleke Estifanos 
Published: April 2022

Abstract
Maize is an important cereal crop in Ethiopia. Yield of maize has been declined in Ethiopia mainly due to water scarcity, low soil fertility and heat stress. Currently, limited technologies are available in the study region that increases maize productivity. If crop models are properly calibrated, they are effective tools to study crops responses to environmental factors. Assessing impact of future climate on maize crop may help to develop adaptation strategies. The objectives of this study were (1) to calibrate and evaluate the CERES maize model in DSSAT technology for simulating phenology and yield of maize (2) to assess impact of projected climate change on maize productivity (3) to develop promising management practices for maize. The impact of projected climate change was assessed using the 17 GCMs (CMIP5) run under RCP4.5 and RCP8.5 climate scenarios. Two water regimes treatments (rainfed and irrigated) and four rates of nitrogen (0, 46, 92 and 138 kg ha-1) were evaluated individually and in combinations for their effectiveness to increase maize productivity under the projected climate conditions. The model evaluation result revealed that the RMSE values were 2.5 days for anthesis, 4.4 days for physiological maturity, 258.3 kg ha-1 for grain yield and 1034 kg ha-1for above ground biomass yield with nRMSE values of 3%, 4%, 4.7% and 10%, respectively. The d-index values were 0.87, 0.80, 0.88 and 0.71 for the respective parameters. The good agreement between the simulated and the measured values indicated the maize genetic coefficients in the model were properly calibrated. The simulation results at Tehuledere site showed that maize grain yield may decrease by 11% and 20% in 2030s and by 26% and 29% in 2050s under RCP4.5 and RCP8.5 scenarios, respectively whereas in Kallu site yield may decrease by 13% and 15% in 2030s and by 17% and 19% in 2050s for the respective RCP scenarios. However, the management scenarios have shown that maize yield may substantially increase by the use of optimum nitrogen fertilizer and supplemental irrigation. Thus, it can be generalized that climate change may adversely affect maize production in the Semi-arid regions of Ethiopia but the impact could be reversed by using sound crop management practices.
The use of environmental heterogeneity as an indicator of protected area effectiveness in conserving biodiversity
Authors: Purdon Andrew , Mole Michael A. , -South Jeanetta Selier , Kruger Johan , Mafumo Humbu , Olivier Pieter 
Published: April 2022

Abstract
Developing innovative monitoring systems for biodiversity outcomes in protected areas (PAs) are important to enable effective adaptive management. Here we show how to quantitatively detect and monitor temporal and spatial patterns in environmental heterogeneity, an important indicator of ecological integrity and biodiversity patterns. We used a 28-year time series (1991 – 2018) generated from freely available Landsat satellite imagery and Roa’s quadratic index to calculate trends in heterogeneity for 41 PAs across South Africa. We selected PAS where mega-herbivore assemblages were similar and where management objectives were broadly aligned with South African legislation to protect biodiversity. Heterogeneity decreased in 11 (32%), increased in three (7%), and remained stable in 26 (63%) PAs. In PAs where heterogeneity was decreasing, factors such as fire, precipitation, woody encroachment, and elephants may be contributing to a possible park effect where small, fenced areas are becoming more homogenized. However, our results also indicated that factors such as fire and herbivory as well as the location of roads, waterholes, and camps can be manipulated to increase PA heterogeneity. The framework presented here can be extended to include every PA nationally, or even globally, and the data product fully automated. This presents an opportunity for conservation management to incorporate this important biodiversity indicator in PA monitoring programs as well as other large-scale environmental monitoring initiatives.
Defending Against Adversarial Attack in ECG Classification With Adversarial Distillation Training
Authors: Shao Jiahao , Geng Shijia , Fu Zhaoji , Xu Weilun , Liu Tong , Hong Shenda 
Published: April 2022

Abstract
In clinics, doctors rely on electrocardiograms (ECGs) to assess severe cardiac disorders. Owing to the development of technology and the increase in health awareness, ECG signals are currently obtained by using medical and commercial devices. Deep neural networks (DNNs) can be used to analyze these signals because of their high accuracy rate. However, researchers have found that adversarial attacks can significantly reduce the accuracy of DNNs. Studies have been conducted to defend ECG- based DNNs against traditional adversarial attacks, such as projected gradient descent (PGD), and smooth adversarial perturbation (SAP) which targets ECG classification; however, to the best of our knowledge, no study has completely explored the defense against adversarial attacks targeting ECG classification. Thus, we did different experiments to explore the effects of defense methods against white-box adversarial attack and black-box adversarial attack targeting ECG classification, and we found that some common defense methods performed well against these attacks. Besides, we proposed a new defense method based on adversarial distillation training (named CardioDefense) which comes from defensive distillation and can effectively improve the generalization performance of DNNs. The results show that our method performed more effectively against adversarial attacks targeting on ECG classification than the other baseline methods, namely, adversarial training, defensive distillation, Jacob regularization, and noise-to-signal ratio regularization. Furthermore, we found that our method performed better against PGD attacks with low noise levels, which means that our method has stronger robustness.
Breastfeeding in Neonatal Intensive Care Unit of Casablanca Teaching Hospital Ibn Rochd
Authors: sylla Abdu El Karim , Lehlimi Mouna , Badre Aamal , Hajjaji Salima , Lyazidi Soukaina , Ameayou Sanaa , Chemsi Mounir , Habzi Abdourahman , Benomar Said , Nani Samira , Hassoune Samira 
Published: April 2022

Abstract
Objective: This study aimed to estimate the prevalence and identify the associated factors of breastfeeding (BF) practice in the NICU of Casablanca Ibn Rochd teaching hospital.Method: A cross-sectional study was performed between 04 January and 26 June 2021 in NICU. Moroccan couples' mother/newborn were consecutively recruited after meeting the study inclusion criteria. We used face-to-face interviews using a pretested questionnaire. Our income variable was the proportion of mothers who exclusively or partially breastfed at least one time after admission, categorized by yes and no. Multiple binary logistic regression was used to test the association of income variable with predictors. Findings: We included 170 couple mother/newborn. Around 74% of mothers practiced partial breastfeeding. The mother factors associated with BF practice were: education level (OR=0,10; 95%CI : 0,01-0,87; p=0,037781), family monthly income (OR=4,3 ; 95%CI: 1,12-16 ,56 ; p=0,033606) and marital status (OR=14,3 ; 95%CI:1,37-148,43 ; p=0,025853). The newborns' factors associated to BF practice were: hospital stay length (OR= 1,12 95%CI: 1,00-1,25 ; p=0,047726) and Hospitalization motif (OR=0,27 ; 95%CI: 0,076-0,95 ; p=0,042085). And healthcare facility factors associated to BF practice was: healthcare staff support: (OR=6,7 ; 95%CI:2,2-20,54 ; p=0,000891).Conclusion: The newborns hospitalized for respiratory distress from single mothers with lower education levels and social standards who did not have enough (or any) support from healthcare staff were the ones who received less breast milk in the NICU of Casablanca Ibn Rochd teaching hospital.
Diagnostic Value of Laboratory Parameters for Complicated Appendicitis: A Two-center Study
Authors: Zhang Qian , Zhao Hongwei , Wang Fangli , Li Wenqiang , Zhang Peng 
Published: April 2022

Abstract
BACKGROUND
The present study aimed to examine the efficacy of the laboratory parameters with respect to complicated appendicitis.
METHODS
A total of 1514 cases with acute appendicitis at the Beijing Tsinghua Changgung Hospital and Aerospace Center Hospital from January 2016 to September 2021 were reviewed in this retrospective study. All cases were divided into uncomplicated and complicated appendicitis groups according to the appendix pathology. The efficacy of the laboratory parameters was evaluated in recognition of complicated appendicitis. Independent variables were analyzed by univariate and multivariate analyses. Receiver operating characteristic (ROC) curve analysis was used to identify the significant parameters in multivariate analysis. Cutoff values, sensitivity, specificity, and accuracy with the area under the curve (AUC) > 0.600 were considered significant parameters.”
RESULTS
Significant difference were detected in age (p < 0.001), temperature (p < 0.001), white blood cell count (WBC, p < 0.001), C-reactive protein (CRP, p < 0.001), neutrophil (p < 0.001), neutrophil-to-lymphocyte ratio (NLR, p = 0.019), platelet-to-lymphocyte ratio (PLR, p < 0.001), platelet count (p < 0.001), coefficient of variation of erythrocyte distribution width (RDW-CV, p < 0.001), standard deviation of erythrocyte distribution width (RDW-SD, p < 0.001), mean platelet volume (MPV, p < 0.001), T-bilirubin (p < 0.001), and direct bilirubin (p < 0.001) between the two groups. CRP, neutrophil, NLR, PLR, platelet count, RDW-CV, RDW-SD, MPV, and direct bilirubin were independent variables for diagnosing complicated appendicitis.
CONCLUSIONS
In patients with acute appendicitis, CRP > 22.95 mg/L, NLR > 5.7, serum D-bilirubin > 6.1 mmol/L, or RDW-SD > 17.7 fl are significantly associated with the presence of complicated appendicitis.
Oblique lateral interbody fusion combined with Wiltse approach pedicle screw fixation for the treatment of single-level Degenerative Lumbar Spondylolisthesis: A retrospective study
Authors: Du Weibin , Wang Zhenwei , Dong Yi , Quan Renfu , Qi Jiwei 
Published: April 2022

Abstract
Background: The study aimed to explore the efficacy of oblique lateral interbody fusion (OLIF) combined with Wiltse approach pedicle screw fixation in the treatment of single-level degenerative lumbar spondylolisthesis（DLS）.Methods: This is a retrospective study. The study enrolled 54 patients with single-level DLS who were treated at the Affiliated Jiangnan Hospital of Zhejiang Chinese Medical University from May 2018 to June 2020. (OLIF group) 24 cases operated using OLIF combined with Wiltse approach pedicle screw fixation, and (PLIF group) 30 cases operated by PLIF. The primary outcome measures were visual analog scale (VAS) pain scores, Oswestry dysfunction index (ODI), and the lower lumbar spine anterior convexity angle. The secondary outcome measures were operation time, intraoperative blood loss, postoperative drainage, hospitalized days, intervertebral space height, and postoperative complications. Results: All patients were followed up for 12-20 months, with a mean of 16.2 months. There were significant differences in VAS (2.63±0.58 vs 3.57±0.63, P<0.001) and ODI (9.67±0.92 vs 10.63±1.40, P<0.05) between the OLIF group and PLIF group on postoperative days (PODs) 1–3. However, the differences in VAS and ODI between the two groups were not significant at 6 months postoperatively. And there was a significant decrease in VAS (2.63±0.58 vs 1.08±0.28, P<0.05) and ODI (3.57±0.63 vs 1.10±0.31, P<0.05) in both groups in the PODs 1–3 and 6-month postoperative comparisons. OLIF group showed better intervertebral space height and the lower lumbar spine anterior convexity angle scores on PODs1–3 and at 6 months postoperatively.Conclusion: OLIF combined with the Wiltse approach pedicle screw fixation can achieve good short-term clinical results in the treatment of single-level DLS. This surgical approach is less invasive, promotes early functional recovery, shortens hospitalization time, and improves the quality of life.