bluuebunny/crossref_metadata_2025_split huggingface dataset:
Temporal and Spatial Evolution Law of Mine Water Artificial Recharge Water Quality
Authors: Zhang Xiyu , Yang Jian , Huang Lingyun , Liu Ji , Wang Qiangmin 
Published: April 2022

Abstract
In order to understand the evolution law of groundwater quality during the artificial recharge process with mine water, the effluent from the mine water treatment plant of the Mindong No. 1 Mine was selected to artificially recharge the Quaternary aquifer of the study area. In this experiment, the spatial evolution of the groundwater quality of some wells around the recharge well was monitored during the artificial recharge process with reclaimed mine water. The factor analysis method was used to reveal the evolution law of groundwater quality during the recharge process. Although the reclaimed mine water met the standards for artificial recharge, the results showed that pH value as well as Cl−, TDS, NO3−, and F− concentrations in the reclaimed water were higher than those observed in the Quaternary aquifer, presenting a potential risk to groundwater quality. On the other hand, four organic components were identified in the groundwater after the artificial recharge, including fulvic-like acids (Ex/Em = 280/440, Ex/Em = 250/440) as the main component. Indeed, most of these components were caused by terrestrial origin and soil migration. In addition, the reclaimed mine water contained protein-like tryptophan (Ex/Em = 300/340), which was mainly derived from the discharge of point sources. The total fluorescence intensity of organic pollutants in the different wells tended to be uniform with the recharge time. However, if external pollution is introduced, it may significantly affect the types of organic pollutants and diffuse rapidly within 24 hours. Therefore, it is necessary to control effectively the concentration of trace organic matter in the influent water to ensure the safety of the artificial recharge with mine water.
Discovery of Promising Inhibitors for SARS-CoV-2 Therapeutic Targets: A Quantum Mechanics and Molecular Modeling study
Authors: Balogun Toheeb A. , Chukwudozie Onyeka S. , Ogbodo Uchechuckwu C. , Junaid Idris O. , Sunday Olugbodi A. , Ige Oluwasegun M. , Aborode Abdullahi T. , Akintayo Abiola D. , Oluwarotimi Emmanuel A. , Oluwafemi Isaac O. , Saibu Tosin A. , Chuckwuemaka Prosper , Omoboyowa Damilola A. , Batiha Gaber E. 
Published: April 2022

Abstract
SARS-CoV-2 triggers a worldwide medical crisis, affecting the world's social, emotional, physical, and economic equilibrium. However, treatment choices and targets for finding a solution to COVID-19's threat are becoming limiting. A viable approach to combating the threat of COVID-19 is to create pharmacological and therapeutic targets by uncovering promising inhibitors and proteins in the viral life cycle of COVID-19. Therefore, in this study, we employ high-throughput virtual screening to screen library of phytocompounds from selected medicinal plants targeting SARS-CoV-2 spike glycoprotein, 3CLpro, PLpro and RdRp. Virtual screening approach have been reported as a promising method to identify biologically active compounds from large libraries. In addition, molecular docking, Prime MM/GBSA (molecular mechanics/generalized born surface area) analysis, molecular dynamics (MD) simulation and pharmacokinetic/drug-likeness model was performed to identify potential phytodrugs. In support to these approaches, we employ series of chemical quantum calculation, semi empirical Hamiltonian and density functional theory analysis to develop therapeutic agents against COVID-19. We propose that the discover therapeutic targets/molecules may open the way for the establishment of phytodrugs for the management of COVID-19 pandemics and new chemical libraries for preventing COVID-19 entry into the host, based on the findings of this integrated computational investigation.
Association between blood and seminal plasma testosterone and aldosterone and their consequences on semen analysis and fertility status in dromedary camel
Authors: Zeitoun Moustafa , Mansour Mohamed 
Published: April 2022

Abstract
This study aimed to investigate the testosterone and aldosterone profiles in the blood and seminal plasma of male dromedary camels and their relationship with semen parameters. Sixty camels were divided into two groups; control (n = 20) and infertile (n = 40). Blood and seminal plasma were obtained from all camels for hormones analyzed. The results indicated significant higher (p < 0.05) blood testosterone (3.05 ± 0.12 vs. 5.17 ± 0.24 ng/mL), and seminal plasma testosterone concentrations (1.29 ± 0.22 vs. 2.78 ± 0.29 ng/mL) in infertile above control dromedaries, respectively. In the control group, there was a positive correlation (p < 0.05, r = 0.36) between blood and seminal plasma aldosterone. In infertile males, there found a positive correlation (p < 0.01, r = 0.45) between blood testosterone and aldosterone. Also, there existed a negative correlation (p < 0.05, r = − 0.26) between blood aldosterone and seminal plasma testosterone concentrations. In control males, there was a negative correlation (p < 0.05, r = − 0.42) between blood aldosterone and sperm motility percentage. Besides, seminal plasma aldosterone was positively correlated (p < 0.05, r = 0.26) with sperm abnormality ratio in the infertile animals. In conclusion, infertile male dromedaries were characterized by elevated testosterone levels in the blood and seminal plasma. In addition, there found a positive relationship between blood testosterone and aldosterone, as well as a negative association between blood aldosterone and seminal plasma testosterone. Thus, these parameters could be considered as bio-indicators for spermatogenic impairment and disruption of seminal plasma bio-products, resulting in poor-quality semen ejaculates.
Long non-coding RNA NEAT1 mediated RPRD1B stability facilitates fatty acid metabolism and lymph node metastasis via c-Jun/c-Fos/SREBP1 axis in gastric cancer
Authors: Jia Yongxu , Yan Qian , Zheng Yinli , Li Lei , Zhang Baifeng , Tang Hong , Qin Yanru , Guan Xinyuan 
Published: April 2022

Abstract
Background: Lymph node metastasis is one of most common determinants of the stage and prognosis of gastric cancer (GC). However, the key molecular events and mechanisms mediating lymph node metastasis remain elusive.Methods: RNA sequencing was used to identify driver genes responsible for lymph node metastasis in four cases of gastric primary tumours, metastatic lesions of lymph nodes and matched normal gastric epithelial tissue. qRT–PCR and IHC were applied to examine RPRD1B expression. Metastatic functions were evaluated in vitro and in vivo. RNA-seq was used to identify target genes. ChIP, EMSA and dual luciferase reporter assays were conducted to identify the binding sites of target genes. Co-IP, RIP, MeRIP, RNA-FISH and ubiquitin assays were applied to explore the underlying mechanisms.Results: The top 8 target genes (RPRD1B, MAP4K4, MCM2, TOPBP1, FRMD8, KBTBD2, ADAM10 and CXCR4) that were significantly upregulated in metastatic lymph nodes of individuals with GC were screened. The transcriptional cofactor RPRD1B (regulation of nuclear pre-mRNA domain containing 1B) was selected for further characterization. The clinical analysis showed that RPRD1B was significantly overexpressed in metastatic lymph nodes and associated with poor outcomes in patients with GC. The Mettl3-induced m6A modification is involved in the upregulation of RPRD1B. Functionally, RPRD1B promotes lymph node metastasis capabilities in vitro and in vivo. Mechanistic studies indicated that RPRD1B increased fatty acid uptake and synthesis by transcriptionally upregulating c-Jun/c-Fos and activating the c-Jun/c-Fos/SREBP1 axis. In addition, NEAT1 was upregulated significantly by c-Jun/c-Fos in RPRD1B-overexpressing cells. NEAT1, in turn, increased the stability of the RPRD1B mRNA by recruiting the m6A “reader” protein hnRNPA2B1 and reduced the degradation of the RPRD1B protein by inhibiting TRIM25-mediated ubiquitination. Notably, this functional circuitry was disrupted by an inhibitor of c-Jun/c-Fos/AP1 proteins (SR11302) and small interfering RNAs targeting NEAT1, leading to a preferential impairment of lymph node metastasis.Conclusions: Based on these findings, RPRD1B facilitated FA metabolism and assisted primary tumor implantation in lymph nodes via the c-Jun/c-Fos/SREBP1 axis, which was enhanced by a NEAT1-mediated positive feedback loop, serving as a potential therapeutic target for GC treatment.
Site Assessment and Evaluation of the Structural Damages After the Flood Disaster in the Western Black Sea Basin on August 11, 2021
Authors: Kelesoglu M.Kubilay , Temur Rasim , Gülbaz Sezar , Apaydin Nurdan Memisoglu , Kazezyılmaz-Alhan Cevza Melek , Bozbey Ilknur 
Published: April 2022

Abstract
On August 11, 2021, one of the most destructive flood disasters occurred in the Western Black Sea Basin of Turkey. The flood resulted in the death of 76 individuals, with an estimated 30,000 people being affected by the disaster. A maximum precipitation depth of 400 mm/day was recorded at one station, indicating that the flood occurred at least during a 500-year rainfall event. During a two-day site visit immediately following the flooding event, damages to infrastructures, water structures, bridges, revetment walls, highways, and residentials were observed in the Bozkurt and Ayancık regions. Based on the observations, the flood wave propagated through the original meandering river bed and floodplain, exceeding the restored river bed capacity. Due to the massive sediment transport and drifting trees, the basements of the structures in these regions were flooded and blocked. The enormous flood flow triggered extensive scouring on bridge piers, building foundations, and revetment walls, eventually causing the walls and bridges to collapse. The collapse of structures blocked the waterway and amplified the backwater effect when combined with the sediment transport. The total collapse of the revetment walls in some sections of the stream caused accelerated scouring beyond the foundations of the nearby buildings. Partial damages on the side roads along the river beds were also observed. This paper evaluated the driving mechanism of damages caused by flood flow from hydrological, structural, and geotechnical perspectives. Based on these observations and assessments, recommendations on engineering design guidelines for structures close to the floodplain, such as bridges, revetment walls, and side roads, were elaborated. Emphasis was placed on the flood-resistant design of these structures to develop a comprehensive approach for flood risk management.
Genetic influences on neurodevelopmental disorders and their overlap with co-occurring conditions in childhood and adolescence: A meta-analysis.
Authors: Gidziela Agnieszka , Ahmadzadeh Yasmin , Michelini Giorgia , Allegrini Andrea , Agnew-Blais Jessica , Lau Lok Yan , Duret Megan , Procopio Francesca , Daly Emily , Ronald Angelica , Rimfeld Kaili , Malanchini Margherita 
Published: April 2022

Abstract
A systematic understanding of the aetiology of neurodevelopmental disorders (NDDs), their co-occurrence, and co-occurrence with other conditions during childhood and adolescence remains incomplete. This meta-analysis bridges gaps in our knowledge. First, we meta-analysed the literature on the relative contribution of genetic and environmental factors to NDDs. Second, we considered the literature on the overlap between different NDD categories. Lastly, we synthesized the literature on the co-occurrence between NDDs and disruptive, impulse control and conduct disorders (DICCs). We performed multilevel, random-effects meta-analyses on 296 independent studies, including over 4 million children and adolescents. We found all NDDs to be substantially heritable (family-based heritability (h2) = 0.66; SNP h2 = 0.19). Meta-analytic genetic correlations between NDDs, and between NDDs and DICCs were moderate to strong. However, given the paucity of available studies covering the co-occurrence of NDDs and DICCs, these could only be estimated for a few disorders. While our work provides direct evidence to inform and potentially guide clinical and educational diagnostic procedures and practice, it also highlights the imbalance in the research effort that has characterized developmental genetics research.
Deployment of Resilient Foods Can Greatly Reduce Famine
in an Abrupt Sunlight Reduction Scenario
Authors: Rivers Morgan , Hinge Michael , Martínez Juan García , Tieman Ross , Jaeck Victor , Butt Talib , Denkenberger David 
Published: April 2022

Abstract
In a nuclear war, volcanic eruption, asteroid or comet impact that causes an abrupt sunlight reduction scenario (ASRS), agricultural yields would plummet. Global society is currently unprepared for such an event, implying an urgent need for evaluation and prioritization of solutions. We show effective deployment of resilient food solutions appears sufficient to fulfill global energy and macronutrient food requirements, potentially saving billions from famine. A Monte Carlo analysis of resilient food outcomes, using a linear optimization model, shows a 95% probability of global food availability between 2,100 and 3,500 Kcals per capita per day in a nuclear winter scenario involving 150 Tg of soot in the stratosphere. Our analysis indicates nutritionally sufficient diets from resilient foods would be widely affordable, costing US$1.73 daily, though subsidization could be needed across Southern Asia and Sub-Saharan Africa. Post-disaster conflict or insufficient international cooperation could increase costs and reduce output, hampering effective resilient food deployment.
Sysmex UC-3500 and UF-5000 urine pipeline can quickly and effectively exclude bacterial urinary tract infection
Authors: Chen Yabin , Zhang Zhishan , Diao Yanjun , Wang Wanni , Zhu Yan , Li Jiaming , Wang Gangqiang , Zhao Yuan , Lin Zhenzhong , Wu Yibo , Jing Jing 
Published: April 2022

Abstract
ObjectAim to study the role of urine pipeline composed of Sysmex urine dry chemistry analyzer UC-3500 and urine particle analyzer UF-5000 in screening bacterial urinary tract infection (UTI).MethodsWe analyzed 2600 urine specimens from patients with suspected UTI using a urine dry chemistry analyzer (UC-3500) and a fully automated sediment analyzer (UF-5000). After the instruments test, all specimens were sent to our clinical microbiology laboratory with a culture request.ResultsThe consistency of UF-5000 bacterial classification and bacterial culture was fair(kappa = 0.3387). The level of WBC, NIT, was raised with sequential group designs(P<0.001). The cut-off value of BACT was 104.80/µ L for males (AUC,0.956, 95%CI,0.936–0.976) and 705.50/µL for females (AUC,0.940, 95%CI,0.920–0.959). The Youden index, sensitivity, and specificity of BACT were relatively high, which were sufficient for diagnosing infection. All six schemes had good negative predictive value (NPV), and coincidence rate. The NPV of strategy② was 97.54%.ConclusionUF-5000 classification of bacteria can’t be used as a practical reference. 163.25/µL(male), 50.20/µL(female) for WBC and 104.80 /µL(male), 705.50 /µL(female) for BACT were used as cut off values, which could effectively determine whether UTI occurred. The single index BACT parameter is suitable for the rapid and effective exclusion of bacterial UTI.
Effectiveness of ozone generated by a dielectric barrier discharge plasma reactor against multidrug-resistant pathogens and Clostridioides difficile spores
Authors: Bong Cheolwoo , Choi Ji Young , Bae Jinseung , Park Sungsu , Ko Kwan Soo , Bak Moon Soo , Cheong Hae Suk 
Published: April 2022

Abstract
Background
The contaminated healthcare environment plays an important role in the spread of multidrug-resistant organisms (MDROs) and Clostridioides difficile. This study aimed to evaluate the antimicrobial effects of ozone generated by a dielectric barrier discharge (DBD) plasma reactor on various materials that were contaminated by vancomycin-resistant Enterococcus faecium (VRE), carbapenem-resistant Klebsiella pneumoniae (CRE), carbapenem-resistant Pseudomonas aeruginosa (CRPA), carbapenem-resistant Acinetobacter baumannii (CRAB) and C. difficile spores.
Methods
Various materials contaminated by VRE, CRE, CRPA, CRAB and C. difficile spores were treated with different ozone concentrations and exposure times. Atomic force microscopy (AFM) demonstrated bacterial surface modifications following ozone treatment.
Results
When an ozone dosage of 500 ppm for 15 minutes was applied to VRE and CRAB, about 2 or more log10 reduction was observed in stainless steel, fabric and wood, and a 1–2 log10 reduction in glass and plastic. Spores of C. difficile were more resistant to ozone than were all other tested organisms. On AFM, the bacterial cells, following ozone treatment, were swollen and distorted.
Conclusions
The ozone generated by the DBD plasma reactor provided a simple and valuable decontamination tool for the MDROs and C. difficile spores, which are known as common pathogens in healthcare-associated infections.
Molecular epidemiology of Streptococcus Pneumoniae isolated from children with community-acquired pneumonia under 5 years in Chengdu, China
Authors: Liu Chenggui , Chen Haojun , Li Hong 
Published: April 2022

Abstract
Background: Streptococcus pneumoniae (S. Pneumoniae) is one of the most common community-associated pathogens responsible for pneumonia in children. This retrospective study aimed to investigate the molecular characteristics of S. Pneumoniae isolated from children with community-acquired pneumonia (CAP) under 5 years in Chengdu, China. Methods: Molecular characteristics of S. Pneumoniae included serotype and virulence factor performed by using PCR method and sequence types (STs) determined by sequencing seven housekeeping genes. In addition, the potential relationships between molecular characteristics were depicted by minimum spanning tree and correspondence analysis.Results: The prevailing serotypes were 19F (18.52%), 6B (17.59%), 19A (13.89%), 6A (6.48%) and 23F (5.56%) among 108 isolates. The overall coverage rates of 7-valent, 10-valent, 13-valent pneumococcal conjugate vaccines (PCVs) were 47.32%, 48.1%, 75%, respectively. Meanwhile, the coverage rates of PCV13 among the isolates from CAP patients aged <1 year were high up to 84.2%. MLST analysis results showed that there were 56 different STs identified, of which the dominant STs were ST271 (22.22%) and ST320 (12.04%). Additionally, most of the isolates carried ply, psaA, nanA, pavA, piaA, and CC271 isolates expressed more of nanA than non-CC271 isolates. Moreover, there were strong relevant relationships among STs, serotypes, virulence factors.Conclusion: Considering serotypes and virulence factors together can be used as the foundation for the formulation of vaccine strategy.
QSAR Based Pharmacophore Modeling, Design, Molecular Simulation and Computational ADME/Pharmacokinetics Validation
Authors: Adeniji Shola Elijah , Ajala Abduljelil , Areguamen Omole Isaac 
Published: April 2022

Abstract
Background: Persistent resistance of Mycobacterium tuberculosis towards anti-tubercular drugs have raised global concern to cure tuberculosis. Recent advancements of the chemical world particularly that of computational chemistry, has given the scientists, a new dimension to curtail the challenges of drug development and discovery. This has become necessary to develop efficient anti-tubercular agents against the multi-drug resistant strain.Aim: In this research, we aimed to build in-silico an anti-tubercular model to predict reported experimental activities via Genetic Function Algorithm, use the model to design novel hypothetical compounds, carryout virtual docking screening and compute the ADME properties, pharmacokinetics and drug-likeness for the designed compounds.Results: Confirmed molecular descriptors ‘‘MATS7s, SpMin4_Bhv, SM1_DzZ, TDB3v and RDF70v’’ were selected via the Genetic Function Algorithm for model development. Three prominent hypothetical compounds; 6a, 6b and 6c having enhanced activities against tuberculosis were successfully designed with efficient binding affinities which ranged from -13.34 to -15.36Kcal/mol. These compounds demonstrate good binding pose and efficient interactions with the protein binding pocket via virtual docking screening. ADME, pharmacokinetics and drug-likeness prediction suggested that the compounds are orally soluble, have a good lipophilicity index for lipid environments with high gastrointestinal absorption and show zero violation to be considered as drug candidates. Conclusion: Our finding revealed that the designed compounds are founds to be orally bioavailable and demonstrate good drugs candidates. Hence,in-vitro and an in-vivo test for these compounds are strongly recommended to determine their toxicities and biological assay.
HER2 overexpression/amplification status in colorectal cancer: a comparison between immunohistochemistry and fluorescence in situ hybridization using five different immunohistochemical scoring criteria
Authors: Sun Qi , Li Qi , Gao Fuping , Wu Hongyan , Fu Yao , Yang Jun , Cui Xiaobin , Fan Xiangshan , Pu Xiaohong 
Published: April 2022

Abstract
Objective: Although HER2 has gradually become an important therapeutic target for colorectal cancer (CRC), a unified and standard HER2 scoring system was still not established in CRC, and the debatable results of immunohistochemistry and fluorescence in situ hybridization (FISH) in CRC requires further exploration.Methods: In this study, we use five immunohistochemical (IHC) scoring criteria (i.e., IRS-p, IRS-m, GEA-s, GEA-b and HERACLES) and two FISH criteria to evaluate HER2 status. And further evaluate thecorrelation between HER2 status and clinicopathological features,survival in a large, unselected Chinese cohort of 664 CRCs. Results: Finally, we set HER2/CEP17 ratio ≥2.0, or an average HER2 copy number ≥6.0 as FISH positive threshold and the amplification rate of HER2 gene was 7.08% (47/664).The HER2 positivity (IHC 3+) were 2.71%, 3.16%, 2.56%, 2.71% and 3.16%, according to the IHC scoring criteria of IRS-p, IRS-m, GEA-s, GEA-b and HERACLES, respectively. Set FISH results as the golden standard, receiver operating characteristic analysis showed that IRS-p had both high sensitivity and specificity than other IHC scoring systems to evaluate HER2 status. Based on IRS-p criterion, There were significant differences in tumor differentiation (p=0.038), lymphatic vascular invasion (p=0.001), pN stage (p value=0.043), and overall survival (p<0.001) among IHC score 0-3+ groups. Meanwhile, there were significant differences in pT stage (p=0.031), pN stage (p=0.009) and overall survival (p<0.001) among FISH subgroups.Conclusion: The IRS-p criterion was more suitable for assessing the HER2 status in CRC patients than other IHC criteria. Whereas for FISH scoring system, only HER2/CEP17 ˂2.0 meanwhile HER2cn ˂4.0 and HER2cn ≥6.0 were subgroups with unique clinicopathological characteristics.