bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of Novel Halogenated Heterocyclic compounds and their uses as Target SARS-CoV-2 main Protease (Mpro) and Potential Anti-Covid-19
Authors: Mohareb Rafat , Almutairi Fahad M. , Elfiky Abdo A. , Mahmoud Mahmoud A.A. , Wardakhan Wagnat W. , Mohamed Mervat S. , Abdelhameed Ali Saber 
Published: March 2021

Abstract
Since the first appearance of the coronavirus disease-2019 (COVID-19) in Wuhan, China, in December 2019, it has been spreading globally with devastating ramifications. The lack of anti-COVID-19 treatment to date warrants urgent research into potential therapeutic targets. Virtual drug screening techniques enable the identification of novel compounds that are capable of targeting the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease (Mpro). The latter plays a fundamental role in mediating viral replication and transcription, rendering it an attractive drug target. In this study, twenty six novel halogenated, heterocyclic compounds, which can inhibit Mpro, were tested by molecular docking combined with molecular dynamics simulation. Three compounds showed the highest binding affinity to the protein active site and their binding modes coincide with that of Nelfinavir. The binding of the halogenated compounds to Mpro may inhibit the replication and transcription of SARS-CoV-2 and, ultimately, stop the virallife cycle. In times of dire need for anti-COVID-19 treatment, this study lays the groundwork for further experimental research to investigate the efficacy and potential medical uses of these compounds to treat COVID-19. Novel compounds including fused thiophene, pyrimidine and pyran derivatives were tested against human RNA N7-MTase (hRNMT) and selected viral N7-MTases such as SARS-CoV nsp14 and Vaccinia D1-D12 complex to evaluate their specificity and their molecular modeling was also studied in the aim of producing anti covid-19 target molecules.
Integrative Transcriptomic, and Proteomic Analysis of Flavonoid Biosynthesis During Fruit Maturation In Chinese Raspberry “Rubus Chingii Hu”
Authors: Li Xiaobai , Sun Jian , Jiang Jingyong , Chen Zhen , Jackson Aaron 
Published: March 2021

Abstract
Rubus chingii, is a red-fruited species of Rubus native to China, which is a popular and nutritious fruit in China. However, change in flavonoid composition and content during fruit maturation is poorly understood. This study examined flavonoids and the genes/proteins during four fruit ripening phases using LC-MS/MS. As a result, six major kinds of anthocyanins were first identified in R. chingii, which primarily consisted of flavanol-anthocyanins, are new to Rubus. Apart from anthocyanins, concentrations of fruit flavonoids were much higher than most berries including raspberries, and it is this that contributes to their high phenolic concentrations and antioxidant capabilities. In contrast to other known raspberries, R. chingii had a decline in flavonoids during fruit maturation, which was due to down-regulation of genes/proteins involved in phenylpropanoid and flavonoid biosynthesis. Surprisingly, anthocyanin continuously decreased during fruit coloration. This suggests that anthocyanins are not responsible for the fruit’s reddish coloration. The biosynthesis of these flavanol-anthocyanins consumed two flavonoid units both produced through the same upstream pathway. Their presence indicates a reduction in the potential biosynthesis of anthocyanin production. Also, the constantly low expression of RcANS gene down-regulated overall anthocyanin biosynthesis. The lack of RcF3’5’H gene/protein hindered the production of delphinidin glycosides. Flavonoids primarily comprising of quercetin/kaempferol-glycosides were predominately located at fruit epidermal-hair and placentae. The profile and biosynthesis of R. chingii flavonoids are unique to Rubus. It could be used to broaden the genetic base of raspberry cultivars and to improve their fruit quality.
Bayesian Ridge Regression Shows the Best Fit for Ssr Markers in Psidium Guajava Among Bayesian Models
Authors: Silva Flávia Alves , Viana Alexandre Pio , Corrêa Caio Cezar Guedes , Santos Eileen Azevedo , Oliveira Julie Anne Vieira Salgado , Andrade José Daniel Gomes , Ribeiro Rodrigo Moreira , Glória Leonardo Siqueira 
Published: March 2021

Abstract
Markers are an important tool in plant breeding, which can improve conventional phenotypic breeding, generating more accurate information outcoming better decision making. This study aimed to apply and compare the fit of different Bayesian models BRR, BayesA, BayesB, BayesB (setting the value from very low to Π = 10-5 ) and BayesC and Bayesian Lasso (LASSO) for predictions of the genomic genetic values of productivity and quality traits of a guava population. A randomized block design with two replications was used. Seventeen full-sib families were evaluated. Fruit mass, pulp mass, soluble solids content, number of fruits, and production per plant were measured. These variables were used in the genomic prediction with SSR markers, obtained through the CTAB extraction method with 200 primers.The Bayesian ridge regression model showed the best results for all variables and was chosen to predict the individuals' genomic values according to the cross-validation data.A good stabilization of the Markov and Monte Carlo chains was observed with the mean values corresponding to the observed phenotypic means. Heritabilities showed good predictive accuracy. The model showed strong correlations between some variables, allowing indirect selection.
Macrophage-mannose receptor CD206 to discriminate connective tissue disease-associated usual interstitial pneumonia from IPF
Authors: Gui Xianhua , Ding Hui , Shi ShenYun , Ding Jingjing , Huang Mei , Dai Jinghong , Xiao Yonglong , Cao Min , Cai Hourong 
Published: March 2021

Abstract
Background: Soluble mannose receptor, sCD206, is a marker of alternatively activated macrophages. Activated macrophages play important roles in connective tissue disease (CTD) and lung fibrosis. Interstitial lung disease (ILD) is a common complication of CTD, which leads to poor prognosis, especially in a pattern with usual interstitial pneumonia (UIP). Similarly, idiopathic pulmonary fibrosis (IPF) is also characterized by UIP. Compared with IPF, the prognosis of CTD-associated UIP is tightly correlated with early treatment. In the present study, we aimed to evaluate the clinical significance of sCD206 in discriminating CTD-associated UIP from IPF. Methods: The serum level of sCD206 was determined in 48 patients with CTD-associated UIP, 54 IPF patients and 27 healthy controls. The clinical significance of sCD206 was also evaluated. Result: Patients with CTD-associated UIP had a higher level of sCD206 compared with healthy controls and IPF patients (p<0.001, p<0.001, respectively). A cutoff value of sCD206 at 523.8 ng/mL could be a useful marker for distinguishing CTD-associated UIP from IPF. Moreover, 15 decedents with CTD-associated UIP exhibited a greater level of sCD206 compared with 33 survivors (p=0.030), and the elevated sCD206 level was associated with a higher mortality rate (log-rank test, p=0.003). Age and gender-adjusted multivariate Cox regression analysis showed that sCD206 (>444.2 ng/mL) was an independent predictor of survival (p= 0.026). Conclusions: Collectively, the serum level of sCD206 could be a useful marker for distinguishing CTD-associated UIP from IPF and associated with a poor survival of CTD-associated UIP.
Analysis of clinical prognostic factors in bladder cancer-associated double primary cancer
Authors: Zhang Xiaoping , Yang Guanglin , Mo Linjian , Li Tianyu , Cheng Jiwen 
Published: March 2021

Abstract
Objective: This study aims to explore prognostic factors in bladder cancer-related DPC(double primary cancer). Method: Patients with bladder cancer admitted to the Department of Urology of the First Affiliated Hospital of Guangxi Medical University from November 2012 to October 2019 were screened. They were divided into simple bladder cancer (n = 27) and bladder cancer-related DPC (n = 27). Differences in sex, average age, smoking history, radiotherapy history, intravenous chemotherapy history, SII, NLR, PLR, PNI, and serum tumor markers between the two groups were analyzed. Factors related to prognosis evaluation were determined. Results: Smoking history, radiotherapy history, intravenous chemotherapy history, SII, NLR, PLR, and PNI were significantly different between the simple bladder cancer group and the bladder cancer-related DPC group (P<0.05). No significant difference in serum tumor markers CA153, CA199, CA125, CA242, CA724, and CEA, sex, and average age of onset was found between the two groups (P>0.05). In the univariate analysis, patient type, SII, PLR, NLR, and PNI had significant effects on survival rate (P<0.05). Multivariate analysis showed that the type of patient was an independent factor affecting survival. The survival rate of patients with bladder cancer-related DPC was lower than that of patients with simple bladder cancer (P<0.001). Conclusion: The incidence of DPC associated with bladder cancer is positively correlated with the history of smoking, radiotherapy, and intravenous chemotherapy. Dynamic monitoring of changes in SII, NLR, PLR and PNI after treatment of the first primary cancer is helpful to evaluate the risk of DPC in patients. The prognosis of patients with bladder cancer-related DPC is worse than that of patients with simple bladder cancer.
Drought of early time in growing season decreases community aboveground biomass, but increases belowground biomass in a desert steppe
Authors: Li Xiangyun , Zuo Xiaoan , Yue Ping , Zhao Xueyong , Hu Ya , Guo Xinxin , Guo Aixia , Xu Chong , Yu Qiang 
Published: March 2021

Abstract
Background: Increasing drought induced by global climate changes is altering the structure and function of grassland ecosystems. However, there is a lack of understanding of how drought affects the allocation and trade-off of above- and belowground biomass in desert steppe. We conducted a four-year (2015-2018) drought experiment to examine the responses of community above-and belowground biomass (AGB and BGB) to manipulated drought and natural drought in the early period of growing season (from March to June) in a desert steppe. We compared the associations of drought with species diversity (species richness and density), community-weighted means (CWM) of five traits, and soil factors (soil Water, soil carbon content, and soil nitrogen content) for grass communities. Meanwhile, we used the structural equation modeling (SEM) to elucidate whether drought affects AGB and BGB by altering species diversity, functional traits and soil factors.Results: We found that drought reduced the species richness, and species modified the CWM of traits to cope with drought. Manipulated drought had the effect on soil water content, but not on soil carbon and nitrogen content. We also found that the experimental and natural drought decreased AGB, while natural drought increased BGB. AGB was correlated with species richness, density, plant height and soil water, while BGB was correlated with CWM of plant height, CWM of specific leaf area, CWM of leaf dry matter content, CWM of leaf nitrogen content, soil water, soil carbon and nitrogen content. The SEM results indicated that the experimental and natural drought indirectly decreased AGB by reducing species richness and plant height, while natural drought and soil nitrogen content directly affected BGB. Conclusions: These results suggest that species richness and functional traits can modulate the effects of drought on AGB, however natural drought and soil nitrogen determine BGB. Our findings demonstrate that the long-term observation and experiment are necessary to understand the underlying mechanism of the allocation and trade-off of community above-and belowground biomass.
One-step Green Preparation of Nano-silver Aqueous Solution, Characterization, and Its Antibacterial Potential for Cut Carnation Flowers
Authors: Pang Zhenpei , Li Hongmei , Lin Guidong , Sun Yunhao , Zhou Hongjun , He Shenggen 
Published: March 2021

Abstract
The green synthesis of nano-silver (NS) has gained increasing attention owing to its cost-effectiveness and environmental friendliness. Herein, we have described a novel one-step green preparation method of stable NS aqueous solution using Tollens reagent as the silver ion source, D-fructose as the reduction agent, and polyvinyl pyrrolidone (PVP) as the stabilizing and capping agent. The optimum preparation parameters were 40 mL 10 g L−1 PVP, 100 mL 0.116 mol L−1 D-fructose, and 200 mL 0.001 mol L−1 Tollens at a reaction temperature of 25 °C for 2 h. The prepared NS solution had a pH value of 7.10, with approximately spherical NS particles in the range of 13.95–87.36 nm. The resulting NS solution was stable under normal temperature, boiling water bath, and acidic environment; however, it did not exhibit stability under an alkaline environment. The NS solution had a remarkable absorption peak at 410 nm in its ultraviolet visible spectrum. Moreover, it exerted strong inhibitory effect on the growth of the bacteria isolated from the vase water of cut carnation ‘Prince’ flowers. These findings indicate that the obtained NS aqueous solution is potentially a practical and effective antibacterial agent for preserving cut carnations and other cut flowers.
Pre-Procedural Glucose Levels and the Risk for Contrast-Induced Nephropathy in Diabetic Patients Undergoing Coronary angiography or Percutaneous Coronary Intervention
Authors: Zhang Hong , Fu Han , Zhang Peng , Yang Shicheng , Fu Naikuan 
Published: March 2021

Abstract
Diabetes mellitus is an independent risk factor for Contrast-induced nephropathy (CIN) in patients undergoing Coronary arteriography (CAG)/percutaneous coronary intervention (PCI). This study aimed to evaluate whether pre-procedural glucose levels in diabetic patients who received CAG/PCI had an impact on the occurrence of postoperative CIN. We reviewed the incidence of pre-procedural glucose and postoperative CIN in 532 patients with CAG/PCI from June 1, 2020 to January 31, 2021 in Tianjin Chest Hospital, and divided the preoperative pre-procedural glucose levels into 5 groups. Blood samples were collected at admission, 48h and 72h after operation to measure the serum creatinine (Scr) value of patients. We found Patients with elevated pre-procedural glucose had higher BMI, and they were more often on therapy with PCI. They also had higher basal, 24h and 48h Scr. (Table 1) The incidence of CIN in the 5 groups of patients were: 6.9%, 10.7%, 14.1%, 20.1%, 26.0%. (p = 0.030) The multivariate analysis confirmed that in the main high-risk subgroup, patients with elevated pre-procedural glucose levels (≥ 158mg/dl) had a higher risk of CIN disease. (Fig. 2) Trend test showed the change of HR (1.000, 1.646, 2.285, 3.227, 4,788). (Table 2) We come to the conclusion that in diabetic patients undergoing CAG/PCI, elevated pre-procedural glucose is independently associated with the risk of CIN, and with the increase of pre-procedural glucose level, the incidence of CIN gradually increases.
A Modified Surgical Ablation for AF with Mitral Valve Surgery
Authors: wang huishan , Han Jinsong , Wang Zengwei , Yin Zongtao , Jin Yan , Zhang Jian , Han Hongguang 
Published: March 2021

Abstract
Background: The cut-and-sew maze (CSM) procedure has excellent efficacy for the elimination of long-standing persistent atrial fibrillation (AF) concomitant with mitral valve surgery. Because of the complexity and prolongation of cardiopulmonary bypass, CSM has not been widely used. The aim of this study was to examine a modified maze procedure that preserves the “cut-and-sew” procedure in the left atrium and uses cryoablation in the right atrium along with cavotricuspid isthmus (CTI).Methods: From December 2013 to December 2018, 229 patients underwent CSM, and 43 underwent the modified maze procedure during mitral valve surgery. Propensity score matching analysis was used to perform selective 1:2 ratio matching of the 43 patients undergoing the modified maze procedure with 86 patients undergoing CSM. Early operative outcomes were analysed for differencesResults: The absence of AF recurrence without the use of anti-arrhythmic drugs (AADs) was calculated at 2 years by a generalized linear model analysis. One (1.1%) early death occurred in the CSM group, and no deaths occurred in the modified maze group (P=0.722). The aortic cross-clamp durations were 76.30±8.86 minutes for the modified maze and 92.38±10.88 for the CSM procedure (P<0.001). There were no late strokes or deaths during the two-year follow-up. The modified maze group showed similar rates of absence of AF without the use of AADs as the CSM group within the 2 years (P=0.332). Conclusion: This modified maze simplifies the “cut-and-sew” procedure and reduces operating time while retaining the efficacy of CSM.
Effect of retinoic acid combined with narrow-band ultraviolet B on matrix metalloprotein 13（MMP13）in psoriasis
Authors: XI Chan , XIONG Chuanxi , WANG Huiping , LIU Yuanjun , Luo Suju 
Published: March 2021

Abstract
Matrix metalloproteinase 13 (MMP13) is a zinc-containing endopeptidase secreted by keratinocytes and skin fibroblasts and participates in many inflammatory diseases. Drugs for retinoic acid include tazarotene and acitretin. Tazarotene/acitretin and narrow-band ultraviolet B (NB-UVB) irradiation are used as a general treatment for psoriasis. However, their impact on MMP13 expression has yet to be determined. In this study, we measured the expression of MMP13 in patients with psoriasis, and investigated the effects of tazarotene and/or NB-UVB on MMP13 expression in a mouse model of psoriasis. After exposure to acitretin and/or NB-UVB, immortalized human HaCaT keratinocytes were analyzed for viability and MMP13 expression. Our results showed that MMP13 protein levels increased in skin lesions and serum samples in patients with psoriasis. Treatment with acitretin and NB-UVB irradiation alone or in combination suppressed cell viability and MMP13 expression in HaCaT cells. Consistently, tazarotene treatment and/or NB-UVB irradiation attenuated imiquimod-induced psoriasis-like dermatitis and inhibited MMP13 expression in a mouse model. Taken together, these results indicate that tazarotene/acitretin and NB-UVB irradiation can inhibit the expression of MMP13 in keratinocytes and psoriasis mouse models. Targeting MMP13 may represent a promising therapeutic strategy against psoriasis.
TiO2 Nanofibers Decorated with Monodispersed WO3 Heterostruture Sensors for High Gas Sensing Performance Towards H2 Gas
Authors: Kumaresan M , Venkatachalam M. , Saroja M. , Gowthaman P. 
Published: March 2021

Abstract
A simple spin coating method was used to prepare the WO3-TiO2 heterostructural nanofibers (HNFs). Various kinds of techniques, including XRD, SEM, TEM, EDS and XPS, have described the structures, chemical constitutions and morphologies of the samples. Following the decoration of the WO3 nanocubes on the surface of TiO2 nanofibers, XPS findings confirmed the presence of W5+ and the excess proportion of both chemisorbed reactive oxygen and oxygen vacancies. WO3 incorporated TiO2 thin film sensor showed high sensing response (78%), rapid response (20 s) and recovery time (23 s) with respect to other gas molecules (NH3, NO2, LPG and SO2). The finding demonstrates that the WO3-TiO2 sensor showed good selective response towards H2 gas. A unique path was created by this work to build hetero-highly ordered mesoporous metal oxides junctions for applications in H2 gas sensor based devices.
Timing of chemotherapy-induced neutropenia is a prognostic factor in patients with diffuse large B-cell lymphoma: a retrospective study
Authors: Qiu Juan , Zhang Baoxuan , Bu Bing , Fang Shu , Song Lihua 
Published: March 2021

Abstract
Background Chemotherapy-induced neutropenia (CIN) has been shown to be associated with improved clinical outcomes in patients with various solid tumors. The aim of this study was to investigate the relationship between the timing and degree of chemo-induced neutropenia (CIN) and short-term efficacy and survival in newly diagnosed patients with diffuse large B-cell lymphoma (DLBCL).Methods A retrospective study was conducted on 236 newly diagnosed DLBCL patients who received at least 6 cycles of R-CHOP (like) or CHOP (like) between January 2012 and December 2018. According to the occurrence time of CIN, subjects were divided into CIN-absent group, early-onset CIN group and late-onset CIN group. According to the degree of CIN, they were divided into CIN-absent group, mild (grade 1-2) CIN group, and severe (grade 3-4) CIN group. Short-term efficacy was evaluated after 4 cycles of treatment. The Kaplan-Meier method was used to draw the survival curve, and the Cox proportional hazards model was applied to determine the correlation between the timing and extent of CIN and clinical features, short-term efficacy, progression-free survival (PFS) and overall survival (OS).Results After 4 treatment cycles, the objective response rate (ORR) of the early-onset group was higher than that of in the late-onset group and CIN absent group (95.7% VS 88.4% VS 81.0%). Multivariate analysis, Ann Arbor staging, choice of treatment plan and CIN timing were the independent prognostic factors for OS and PFS. OS and PFS in the early-onset group were longer than those of in the absent group [OS (HR:0.241; 95%CI: 0.110-0.530; P < 0.001), PFS (HR: 0.313; 95%CI: 0.169-0.579; P < 0.001)] and late-onset group [OS (HR: 0.332; 95%CI: 0.161- 0.685; P = 0.003), PFS (HR: 0.376; 95%CI: 0.204-0.693; P = 0.002)].Conclusions The timing of CIN is an independent predictor of prognosis in DLBCL patients treated with R-CHOP (like) or CHOP (like) regimens, and patients with early-onset CIN have longer survival times. The degree of CIN is not an independent predictor of prognosis in patients with DLBCL.
Influence of Gas Pressure and RF Power on the Structural and Mechanical Properties of Germanium thin Films
Authors: Ariffin Nurul Assikin , Mustaffa Siti Nor Aliffah , Tamchek Nizam , Sagadevan Suresh , Paiman Suriati 
Published: March 2021

Abstract
Germanium thin film was deposited on a glass substrate by radio frequency magnetron sputtering technique toward nanowires growth for solar cell application. Germanium thin films were deposited at room temperature. The gas pressures and radiofrequency power were varied from 50 to 100 Watt and 5 to 15 mTorr, respectively, with constant deposition time. The thickness of the deposited thin film was investigated using a high surface profilometer. Meanwhile, its structural properties were characterized using atomic force microscopy technique. Results showed that the surface roughness of the Germanium thin film decreased with the increase of gas pressure and radio frequency power. All the thin films formed were amorphous which were confirmed with X-ray diffraction analysis. The experiment results indicated that thin films deposit at 15 mTorr produced 114.76 nm of thickness and 61.9 nm of surface roughness. Meanwhile, Ge thin film deposited at 100-Watt radio frequency power had 10.2 nm of surface roughness. Therefore, growth parameters must be optimized in order to obtain the desired surface roughness which then can be used for the growth of nanowires for solar cell application.