bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computer-aided prediction of inhibitors against STAT3 for managing COVID-19 associate cytokine storm
Authors: Dhall Anjali , Patiyal Sumeet , Sharma Neelam , Devi Naorem Leimarembi , Raghava Gajendra P. S. 
Published: June 2021

Abstract
It has been shown in the past that levels of cytokines, including interleukin 6 (IL6), is highly correlated with the disease severity of COVID-19 patients. IL6 mediated activation of STAT3 is responsible to proliferate proinflammatory responses that leads to promotion of cytokine storm. Thus, STAT3 inhibitors may play a crucial role in managing pathogenesis of COVID-19. This paper describes a method developed for predicting inhibitors against the IL6-mediated STAT3 signaling pathway. The dataset used for training, testing, and evaluation of models contains small-molecule based 1564 STAT3 inhibitors and 1671 non-inhibitors. Analysis of data indicates that rings and aromatic groups are significantly abundant in STAT3 inhibitors compared to non-inhibitors. In order to build models, we generate a wide range of descriptors for each chemical compound. Firstly, we developed models using 2-D and 3-D descriptors and achieved maximum AUC 0.84 and 0.73, respectively. Secondly, fingerprints (FP) are used to build prediction models and achieved 0.86 AUC and accuracy of 78.70% on validation dataset. Finally, models were developed using hybrid features or descriptors, achieve a maximum of 0.87 AUC on the validation dataset. We used our best model to identify STAT3 inhibitors in FDA-approved drugs and found few drugs (e.g., Tamoxifen, and Perindopril) that can be used to manage COVID-19 associated cytokine storm. A webserver “STAT3In” (https://webs.iiitd.edu.in/raghava/stat3in/ ) has been developed to predict and design STAT3 inhibitors.
Agronomic Performance of Temporary Immersion Bioreactor – Derived Potato Microtubers in a Peruvian Low Input Cropping Agriculture System
Authors: Figueroa María de Lourdes Tapia y , Tapia José Faustino Beraún , Hajari Elliosha , Escalona Maritza , Etienne Hervé , Feijoo José Carlos Lorenzo 
Published: June 2021

Abstract
Potato cultivation is limited by a lack of access to quality propagation material. The application of micropropagation techniques combined with the diagnosis and sanitation of the main pathogens of the crop, has contributed to increased production efficiencies. In this regard, the use of temporary immersion bioreactors (TIBs) has improved the quality of microtubers micropropagated along with savings in costs of production. With the final goal of applying these technologies for commercial production, the current study investigated the agronomic performance of Peruvian Canchan potato microtubers derived from TIBs (basic agamic seed 1 and 2) under low-input agro-technology in the coastal zone of Peru. The results indicated that following 75 d of growth, plants derived from microtubers produced in TIBs displayed slower vegetative growth than those from conventional tubers. However, at harvest, these differences were no longer apparent. Although plants raised from conventional tubers produced the highest fresh mass of tubers, significantly more propagules were produced by plants regenerated from basic agamic seed 1 and 2 derived from micropropagation in liquid media. These results demonstrate that much more planting material (seed tubers) can be obtained from microtubers in the field (basic agamic seed 1) than from the conventional commercial seed tubers.
Current State of Populations of Rhodiola Rosea L. (Crassulaceae) in East Kazakhstan
Authors: Kubentayev Serik , Zhumagul Moldir , Kurmanbayeva Meruyert , Alibekov Daniar , Kotuhov Juri Kotuhov , Sitpayeva Gulnara , Mukhtubayeva Saule , Izbastina Klara 
Published: June 2021

Abstract
Background: Based on world experience, first, a modern assessment of the flora is needed to develop strategies and tactics for the conservation of ecosystems of rare and endangered plant species. A regional and global biodiversity strategy should focus on assessing the current state of bioresources. In this regard, to preserve the biodiversity, the botanical features, the ontogenetic state, the ecological and phytocenotic structure of the rare endangered species Rh. rosea in the highlands of Eastern Kazakhstan were studied.Results: Ten populations of Rh. rosea were identified under various ecological and geomorphological conditions with a detailed description of the structure of the plant community. Systematic analysis of the plant community with Rh. rosea shows that the families Poaceae Barnhart, Ranunculaceae Juss., Asteraceae Bercht, J. Presl, Rosaceae Juss. and the leaders in the number of species are Caryophyllaceae Juss., Apiaceae Lindl., Fabaceae Lindl., Polygonaceae Juss. They make up 97 (69%) of the species in the plant community. Ecological analysis data show that the plant community is dominated by psychrophytes (32%), mesophytes (28%), mesopsychrophytes (11%) and mesoxerophytes (7%). Chorological analysis of plant populations with rh factor. rosea indicates that the Asian group (39%), the Eurasian group (30%), and the Holarctic group (20%) are the most widely represented. In Rh. rosea populations, it is most often found with Schulzia crinita, Achillea ledebourii, Doronicum altaicum, Macropodium nivale, Hylotelephium telephium, Rhodiola algida, Carex capillaris, C. aterrima, C. stenocarpa, Euphorbia pilosa, Trifolium lupinast. In the ontogenesis of Rh. rosea, all age-related conditions were identified, with the exception of the prussic condition, and the life expectancy is 50-55 years.Conclusions: The state of Rh. rosea populations is assessed as satisfactory, capable of self-sufficiency mainly due to vegetative reproduction. Seed renewal is low as a result of seedling death in the early stages of development due to extreme habitat conditions. In communities with Rh. rosea, one - and two-species families predominate, which indicates the complexity of the process of florogenesis in extreme conditions of existence. In general, the distribution of life forms, ecological groups, and species composition of communities with Rh. the participation of the rose is natural for extreme conditions of existence.
Epidemiological Investigation of Hemophagocytic Lymphohistiocytosis in China
Authors: Yao Shuyan , Wang Yini , Sun Yuan , Liu Li , Zhang Rui , Fang Jianpei , Jin Runming , Yu Jie , Li Fei , Bai Jie , Zeng Yun , Zhang Cheng , Tan Huo , Zhou Fan , Chen Yan , Zhang Qiaohua , Wang Zhao 
Published: June 2021

Abstract
Background. At present, most research on HLH focus on etiology and therapy, leaving few epidemiological reports. The published studies of China are mainly regional investigations. We aim to present the overall epidemiological status of HLH in China, and provide Chinese data for the international HLH epidemiological investigation. Methods. The data of HLH cases in China in 2019 was collected and statistically analyzed. Findings. Among 1445 cases in 31 areas, EBV accounting for 44.01% is the most common cause. Lymphoma-associated HLH patients are mostly males (P<0.05) while rheumatic and immune-associated HLH mostly females (P<0.001). Children have mainly primary HLH and EBV-associated HLH (P<0.001) while adults mostly tumor-associated HLH. Lymphoma-associated HLH is positively correlated with the age of onset (P<0.01). The diagnosis rate of 29 areas has a significant correlation with per capita Gross domestic product (P<0.05). Conclusion. The etiology distribution of HLH in different age and sex is different, assisting clinicians with the diagnosis of HLH; The diagnosis rate of regions with a high incidence of HLH in China is not ideal as the result of the effect of the local economic level indicating the importance of improving the regional medical level.
Targeting dual-specificity tyrosine phosphorylation-regulated kinase 2 (DYRK2) with a highly selective inhibitor for the treatment of prostate cancer
Authors: Yuan Kai , Li Zhaoxing , Kuang Wenbin , Wang Xiao , Ji Minghui , Li Jiaxing , Min Wenjian , Chen Weijiao , Sun Chengliang , Ye Xiuquan , Lu Meiling , Wang Liping , Ge Haixia , Jiang Yuzhang , Hao Haiping , Xiao Yibei , Yang Peng 
Published: June 2021

Abstract
Prostate cancer (PCa) is one of the most prevalent cancers in men worldwide, and hormonal therapy plays a key role in the treatment of PCa. However, the inevitable drug resistance of hormonal therapy makes it urgent and necessary to identify novel targets for PCa treatment. Herein, dual-specificity tyrosine phosphorylation-regulated kinase 2 (DYRK2) was found and confirmed to be highly expressed in the PCa tissues and cells, and knock-down of DYRK2 remarkably reduces PCa burden in vitro and in vivo. On the base of DYRK2 acting as a promising target, we further discovered a highly selective DYRK2 inhibitor YK-2-69 and solved its co-crystal structure. Especially, YK-2-69 displayed great selectivity over 370 kinases and exhibited more potent anti-PCa efficacy than the first-line drug enzalutamide in vivo. Meanwhile, YK-2-69 displayed excellent safety properties with maximal tolerable dose of more than 10,000 mg/kg and great pharmacokinetic profiles with 55.78% bioavailability. In summary, we identified DYRK2 as a novel drug target and verified its critical roles in PCa. Meanwhile, we discovered a highly selective DYRK2 inhibitor with favorable druggability for the treatment of PCa.
Comparison of Fiber Quality Properties of Different Cotton (G. hirsutum L.) Varieties for Normal and Late Harvest Periods
Authors: Cevheri Cevher İlhan 
Published: June 2021

Abstract
Cotton fibers are the most important raw material of the textile industry. Clean collection of cotton fibers increases the quality of textile products and the market prices. This study was conducted to investigate the effects of normal and late harvest period of different cotton varieties on cotton fiber and yarn properties. The quality properties of the fibers were determined with the HVI device, and the quality properties of the yarns obtained from the fibers were determined with the USTER TESTER device. The fiber quality properties such as fiber fineness (micronaire), fiber maturity, fiber length (UHML, mm), strength (g/tex), brightness/whiteness (Rd), and yarn quality properties such as yarn evenness (%), thin places, neps+200 (%) and hairiness were investigated in the study. The exposure of fibers to rain during the harvest period of 2018 caused a decrease in the quality properties. Inability of the plants to receive sufficient sunlight during the last physiological development period caused a decrease in photosynthesis rate. This negative situation negatively affected the physical quality properties of fiber and yarn. The results indicated that the physical quality properties of fibers and yarns obtained in 2019 were higher than those in 2018. The aim of this study was to determine the effect of late harvest period on fiber and yarn quality properties and thus on quality of textile products. In addition, the study was carried out to guide researchers who will conduct researchers on similar topics.
Plant Species Over-Occupancy Indicates River Valleys Are Natural Corridors for Migration
Authors: Holeštová Anežka , Douda Jan 
Published: June 2021

Abstract
River valleys are considered natural corridors for migration of plant species, however, there is a lack of studies confirming higher colonisation rates of plant species in these areas. We compare plant species-richness between ancient and recent forests, and those located in a river valley with those located in the surrounding landscape. We hypothesise that, close to a river, higher plant species-richness will be associated with recent forests thus indicating a higher colonisation rate. The study area includes part of the Elbe River Valley and its surrounding landscape in the Czech Republic. We sampled an equal number of recent and ancient forests but lying at different distances from the river. We used generalised linear models to test the effect of distance from the river in dependence upon forest continuity (recent/ancient forest) on two plant species-richness categories, i.e. richness of forest species and overall species richness. In the surrounding landscape, higher richness of forest species was associated with ancient forests, whereas overall species richness was comparable. In the river valley, richness of forest species as well as overall species richness was higher in the recent forests. Recent forests in the river valley were more saturated by plant species than those in the surrounding landscape, indicating that in the river valley the colonisation rate of plant species is higher. These results confirm the importance of river valleys as natural corridors for migration of plant species.
Comprehensive Insights Into the Occurrence, Source, Distribution and Risk Assessment of Polycyclic Aromatic Hydrocarbons in a Large Drinking Reservoir System
Authors: Xu Xiangyang , Cui Kangping , Chen Yihan , Chen Xing , Guo Zhi , Chen Hongjie , Deng Guangwei , He Yiliang 
Published: June 2021

Abstract
The resource, environment, and ecological value of drinking reservoirs have received widespread concerns due to the pollution of persistent organic pollutants such as polycyclic aromatic hydrocarbons (PAHs). Therefore, we comprehensively studied the occurrence, source, distribution and risk assessment of representative PAHs in Fengshuba Reservoir (FSBR) (large drinking reservoir, China). The total concentrations of 16 USEPA PAHs in the water phase, porewater phase, sediment phase and soil phase were in ranges of 109.72-393.19 ng/L, 5.75-35.15 μg/L, 364.4-743.71 μg/kg and 367.81-639.89 μg/kg, respectively. The naphthalene (Nap) was the dominant PAHs in the water phase, while it was Nap and phenanthrene (Phe) in porewater, sediment and soil phase. The main sources of PAHs in FSBR were biomass combustion. Redundancy analysis indicated that, the NTU, NO2-, NH4+, Chl-α and IC were the dominant factor influencing the PAHs distribution in water phase and the PAHs in sediment phase was affected by T and NO3-. Pseudo-partitioning coefficients indicated that the PAHs in the porewater phase was more likely to migrate to the sediment phase. Risk assessment indicated that the PAHs both in the water and sediment phases were generally in a Low-risk state, while the PAHs in the soil phase were in a Moderate-risk state and the Nap was in a High-risk state, and exposure to the PAHs in FSBR through drinking and skin exposure had little impact on consumers' health. In summary, Nap could be used as a key indicator to evaluate the existence and potential risk of PAHs in FSBR.
Dementia Care and the Role of Guideline Adherence in Primary Care: Cross-Sectional Findings From the DemTab Study
Authors: Lech Sonia , O'Sullivan Julie Lorraine , Drewelies Johanna , Herrmann Wolfram , Spang Robert , Voigt-Antons Jan-Niklas , Nordheim Johanna , Gellert Paul 
Published: June 2021

Abstract
Background: General practitioners (GPs) play a key role in the care of people with dementia (PwD). However, the role of the German Dementia Guideline in primary care remains unclear. The main objective of the present study was to examine the role of guideline-based dementia care in general practices.Methods: A cross-sectional analysis of data obtained from the DemTab study was conducted. Descriptive analyses of sociodemographic and clinical characteristics for GPs (N = 28) and PwD (N = 91) were conducted. Adherence to the German Dementia Guideline of GPs was measured at the level of PwD. Linear Mixed Models were used to analyze the associations between adherence to the German Dementia Guideline and GP factors at individual (age, years of experience as a GP, frequency of utilization of guideline, perceived usefulness of guideline) and structural (type of practice, total number of patients seen by a participating GP, and total number of PwD seen by a participating GP) levels as well as between adherence to the German Dementia Guideline and PwD’s quality of life. Results: Self-reported overall adherence of GPs was on average 71% (SD = 19.4, range: 25 – 100). Adherence to specific recommendations varied widely (from 19.2% to 95.3%) and the majority of GPs (79.1%) reported the guideline as only partially or somewhat helpful. Further, we found lower adherence to be significantly associated with higher numbers of patients (γ10 = -5.58, CI = -10.97, -0.19, p = .04). No association between adherence to the guideline and PwD’s quality of life was found (γ10 = -.86, CI = -4.18, 2.47, p = .61). Conclusion: The present study examined the role of adherence to the German Dementia Guideline recommendations in primary care. Overall, GPs reported high levels of adherence. However, major differences across guideline recommendations were found. Findings highlight the importance of guidelines for the provision of care. Dementia guidelines for GPs need to be better tailored and addressed. Further, structural changes such as more time for PwD may contribute to a sustainable change of dementia care in primary care.Trial registration: The DemTab trial was prospectively registered with the ISRCTN registry (Trial registration number: ISRCTN15854413). Registered 01 April 2019, https://doi.org/10.1186/ISRCTN15854413
Mechanical Properties and Microstructure Evolution of Aluminum Alloy Tubes with Normal Gradient Grain Under Biaxial Stress
Authors: CAI Yang , Wang Xiaosong 
Published: June 2021

Abstract
Grain size gradient materials are a type of new structural material with the advantages of both coarse and fine grains. To study the effect of normal gradient grain on the mechanical properties and microstructure of aluminum alloy tube during hydroforming, the normal gradient grain distribution of the outer fine and inner coarse grains was obtained using spinning and annealing methods, and the biaxial stress was acquired using hydraulic bulging experiments. The thickness of the outer refined area was 105, 470, and 570 μm, respectively, where the grain size was refined to within 50 μm. Under biaxial stress, the tensile strength of the tube was 79, 89, and 106 MPa, the maximum expansion rates were 18%, 17%, and 10%, and the work-hardening indexes were 0.19, 0.20, and 0.17, respectively. The gradient grain tube with a refined thickness of 470 μm exhibited both strength and plasticity and was suitable for the hydroforming of aluminum alloy tubular parts. With increasing refined grain area, the density of the low angular grain boundary increased and make the chance of stitching dislocation increased in the process of intracranular deformation. However, the increase in the refined region weakened the deformation coordination, leading to a decrease in plasticity.
Development of an Empirical Process Model for Adjusted Porosity in Laser-Based Powder Bed Fusion of Ti-6Al-4V
Authors: Emminghaus Nicole , Paul Johanna , Hoff Christian , Hermsdorf Jörg , Kaierle Stefan 
Published: June 2021

Abstract
A promising approach to address the mismatch of bone and implant stiffness, leading to the stress-shielding phenomenon, is the application of functionally graded materials with adjusted porosity. Although defect formation and porosity in laser-based powder bed fusion of metals (PBF-LB/M) are already widely investigated, so far there is little research on the influences and parameter interactions regarding the pore characteristics. This work therefore aims to provide an empirical process model for the generation of gas porosity in the PBF-LB process of Ti-6Al-4V. For the first time, parts with closed locally adjusted porosity of ~ 6 % achieved through gaseous pores instead of lack-of-fusion defects or lattice structures were built by PBF-LB. Parameter variation and evaluation of relative density, pore size and sphericity was done in accordance with the design of experiments approach. A parameter set for maximum gas porosity (laser power of 189 W, scanning speed of 375 mm/s, hatch spacing of 150 µm) was determined for a constant layer thickness of 30 µm and a spot diameter of 35 µm. Tensile tests were conducted with specimens consisting of a core with maximum gas porosity or lack-of-fusion porosity, respectively, and a dense skin as well as fully dense specimens. Whereas lack of fusion defects can lead to significant reduction of stiffness, the elastic modulus remained unchanged when implementing spherical pores. Nevertheless, the found superior strength and ductility of specimens with gas porous core underline the advantages of adjusted porosity for the application in functionally graded materials and lightweight applications.
Method of Ultrasonic Nanocrystal Surface Modification for Improvement of Surface Characteristics of Aisi D2 Heat-Treated With Different Tempering Conditions
Authors: Cho Seung Yeong , Shim Do-Sik 
Published: June 2021

Abstract
AISI D2, an alloy tool steel, has been widely used as a cold-work die steel because of its excellent wear resistance, toughness, and machinability. However, when it is used as a mold or tool under a high load, high hardness and wear resistance are required to improve its service life. This study aimed to apply ultrasonic nanocrystal surface modification (UNSM), a local surface hardening technology, to the surface of D2 steel. To maximize the surface improvement effect achievable through UNSM, it is important to select the optimal process conditions according to the characteristics of the base metal. Therefore, the effects of UNSM were compared for different initial hardness values of D2 in this study. To this end, the base metal was subjected to different heat treatment conditions to exhibit different hardness values (approximately 40, 45, 50, and 55 HRc). Changes in the surface of the base metal were observed according to the three main parameters of the UNSM process: the load, inter-pass interval, and feed rate. No significant changes in the surface roughness and hardness was caused by the feed rate. As the inter-pass interval of UNSM decreased and the static load increased, the surface roughness of the base metal increased. However, the specimen with low initial hardness (D2-H40), the roughness improvement decreased as the load increased. On the other hand, the surface hardness improvement increased as the inter-pass interval decreased and the load increased regardless of the initial hardness of the base metal. It also was found that the specimen with the highest initial hardness (D2-H55) exhibited the greatest hardness improvement rate of 8.7 % and smallest hardened layer thickness of 220 μm. In addition, the largest compressive residual stress (-1,130.6 MPa) was formed on the surface of D2-H55 after UNSM, which occurred because the base metal with high initial hardness had limited plastic flow due to fine grains and low ductility, causing thus the energy repeatedly delivered by UNSM to be concentrated in a limited area. Consequently, reducing the inter-pass interval is effective on improving the surface roughness and hardness regardless of the material hardness. However, the load must be applied at an appropriate level, depending on the material hardness. Therefore, when D2 is heat-treated and used according to the product requirements, it will be effective to consider the changes after UNSM treatment based on hardness after heat treatment that were derived in this study.