bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structure elucidation of the novel carotenoid gemmatoxanthin from the photosynthetic complex of Gemmatimonas phototrophica AP64
Authors: Nupur  , Kuzma Marek , Hájek Jan , Hrouzek Pavel , Gardiner Alastair T. , Lukeš Martin , Moos Martin , Šimek Petr , Koblížek Michal 
Published: April 2021

Abstract
Gemmatimonas phototrophica AP64 is the first phototrophic representative of bacterial phylum Gemmatimonadetes. The cells contain photosynthetic complexes with bacteriochlorophyll a as the main light-harvesting pigment. In addition, the complexes contain a carotenoid with a single broad absorption band at 490 nm in methanol. A combination of nuclear magnetic resonance, high-resolution mass spectroscopy and Fourier-transformed infra-red spectroscopy was used to determine the chemical structure of G. phototrophica light-harvesting carotenoid that we have named gemmatoxanthin. It is a novel linear carotenoid containing 11 conjugated double bonds and further substituted by methoxy, carboxyl and aldehyde group. Its IUPAC-IUBMB semi-systematic name is 1’-Methoxy-19’-oxo-3’,4’-didehydro-7,8,1’,2’-tetrahydro- Ψ, Ψ carotene-16-oic acid. To our best knowledge, the presence of the carboxyl, methoxy and aldehyde groups on a linear C40 carotenoid backbone is reported here for the first time.
Retrospective and cross-sectional study on the prevalence of malaria in selected areas under elimination program in Dembiya district, North-western Ethiopia
Authors: Tarekegn Mihretu , Tekie Habte , Dugassa Sisay , Wolde-hawariat Yitbarek 
Published: April 2021

Abstract
Background: Ethiopia embarked on combating malaria with an aim to eliminate malaria from low transmission districts by 2030. This involves malaria vector interventions by implementing mainly indoor residual spraying (IRS) and long-lasting insecticidal nets (LLINs) against endophilic and endophagic female Anopheles mosquitoes. Limited published reports are available about the status of malaria in areas under malaria elimination program in Ethiopia. This study intended to assess the prevalence of malaria in selected areas with a long history of implementing malaria prevention and elimination strategies. Methods: A cross-sectional parasitological survey was conducted in two selected malaria endemic areas in Dembiya District, Northwest Ethiopia. Thin and thick blood smears collected from 735 randomly selected individuals were microscopically examined for malaria parasites. Six years retrospective malaria data was also collected from the medical records of the health centres. Structured questionnaires were prepared to collect information about the socio-economic data of the population. The data were analysed using SPSS version 20 and p ≤0.05 were considered statistically significant. Results: The six-year retrospective malaria prevalence trend indicates an overall malaria prevalence of 22.4%, out of which Plasmodium falciparum was the dominant species. From a total of 735 slides examined for the presence of malaria parasites, 3.5% (n=26) were positive for malaria parasites, in which P. falciparum was more prevalent (n=17; 2.3%), P. vivax (n=5; 0.7%), and mixed infections (n=4; 0.5%). Males were 2.6 times more likely to be infected with malaria than females (AOR = 2.6; 95% CI: 1.0, 6.4), and individuals with frequent outdoor activity were 16.4 times more vulnerable than individuals with limited outdoor activities (AOR= 16.4, 95% CI: 1.8, 147.9). Furthermore, awareness about malaria transmission was significantly associated with the prevalence of malaria.Conclusions: Malaria is still a public health problem in Dembiya district irrespective of the past and existing vector control interventions. A malaria elimination plan might not be successful unless other alternative intervention tools targeting outdoor malaria transmission are included. For this, continuous monitoring of vectors’ susceptibility, density, and behaviour is very important in such areas.
The potential for 3D technology to be used in the first-stage periprosthetic hip joint infection treatment
Authors: Murylev Valeriy , Kukovenko Grigorii , Elizarov Pavel , Muzychenkov Alexey , Zhuchkov Alexander , Alexeev Semen Сергеевич , Chizh Ivan , Elizarov Michail , Stambekov Nursultan , Rudnev Alexander , Erochin Nikolay 
Published: April 2021

Abstract
Background. In two-stage deep periprosthetic infection treatment, many authors describe mechanical complications associated with the implantation of a spacer in the first stage that affect the functional outcome of the treatment.Purpose. To evaluate the functional results of using 3D spacers for IIIA and IIIB defects according to the classification system described by W.G. Paprosky during the first stage treatment of hip deep periprosthetic joint infection (PJI).Methods. From 2017 to 2020, 24 patients underwent first-stage revision arthroplasty with hip PJI and IIIA and IIIB acetabular bone defects according to the classification system described by W.G. Paprosky. The patients were divided into 2 groups: group 1 received articulating spacers, and group 2 received custom-made spacers made using 3D technology. Function was evaluated by the Harris Hip Score, WOMAC (Western Ontario and McMaster Universities Osteoarthritis Index) and VAS (visual analogue scale). Statistical analyses were performed using IBM SPSS Statistics version 22.0 for Windows. Student's t-test, Wilcoxon's signed-rank test (to compare parameters before and after surgery) and the Mann-Whitney rank-sum test were used.Results. In the first group, the average VAS score was 3.3 (± 1.4), the Harris Hip Score was 51.3 (± 9.4), and the WOMAC score was 42.9 (± 5.9); in the second group, the VAS score was 1.3 (± 0.9), the Harris Hip Score was 69.7 (± 3.6), and the WOMAC score was 30.1 (± 2.4). The rating scale data showed a statistically significant improvement in the function of patients in the second group (p <0.05).Conclusion. Custom-made 3D spacers used during the first stage of treatment for deep periprosthetic hip infection yield larger improvements in function and quality of life than do articulating spacers.Trial registration. Local Ethics Committee at the Sechenov First Moscow State Medical University Ministry of Health of Russia (Sechenov University) № 386 13.12.2016.
In-situ Synthesis of Zirconium Oxycarbide by Electroreduction of ZrO2/C in Molten Salt
Authors: Su Xianwei , Shang Xiaojia , Che Yusi , Li Shaolong , Song Jianxun , He Jilin 
Published: April 2021

Abstract
Homogenous ZrCxOy powders have been successfully synthesized by in-situ electro-reduction of solid ZrO2-C composite precursors in molten CaCl2. The effect of applied cell voltage and molar ratio of ZrO2 to C on preparation of ZrCxOy were investigated. The reduction pathway of the composite electrode was studied based on the analysis of intermediate products using X-ray diffraction (XRD) and scanning electron microscopy (SEM). The results show that ZrO2 is firstly converted to CaZrO3. The resulting CaZrO3 is then reduced to ZrCxOy. The ZrCxOy formation is dramatically influenced by electrolysis voltage and molar ratio of ZrO2 to C: a higher cell voltage and lower molar ratio of the ZrO2 to C are more preferable for the formation of ZrCxOy powder. Homogenous ZrCxOy powders with particle size of ~100 nm are synthesized by ZrO2 /C starting elemental powders in CaCl2 molten salt at 1123 K for more than 3 h, when the cell voltage is 3.0 V and the molar ratio of the ZrO2 to carbon starting materials is 1:1.0.
Fabrication and Study of LaNi0.6Fe0.4O3-δ and Sm0.5Sr0.5CoO3-δ Composite Cathode
Authors: Tao Zetian , Liu Yong , Fu Min , Dai Hailu 
Published: April 2021

Abstract
In this paper, the composite cathode material of of LaNi0.6Fe0.4O3-δ(LNF) and Sm0.5Sr0.5CoO3-δ(SSC) is investigated and the cell performance of BaCe0.7Y0.2Zr0.1O3-δ(BZCY)-based proton-conducting solid oxide fuel cell (H-SOFC) is evaluated. LNF powders and SSC powders with different ratios (1:0, 7:3, 5:5, 3:7, 0:1 wt. %) are mixed as the composite cathode to explore the optimized composition. The phase structure of the fabricated cathode powders is analyzed through X-ray diffraction method (XRD) and no second phase was observed below 1000oC, showing good chemical compatibility. The electrochemical properties consisted of I-V and EIS curves reveal that the single cell with LNF-SSC73 cathode has the best electrochemical performance, exhibiting a polarization resistance of 0.10 Ω·cm2 and a relatively high maximum power density of 636 mWcm2 at 700oC. These results above indicate that LNF-SSC73 composite material could improve the performance of fuel cells, which would be a prospective material in the field of H-SOFC.
Ablation of Al2O3f/Al2O3&nbsp;Composites Under Oxyacetylene Torch Flame
Authors: Yang Xiang , Wen Zhang , xin Zhu Cheng , Yi Wang , hang Peng Zhi , na Chen Xiao , wei Ma Yin , Feng Cao 
Published: April 2021

Abstract
Continuous alumina fibers reinforced alumina matrix composites (Al2O3f/Al2O3 composites) were produced by following the sol-gel process effectively, while the ablation behavior was analyzed and compared by means of oxyacetylene torch flame test. The results suggested that Al2O3f/Al2O3 composites showed excellent ablation resistance, but no obvious cracks, pits or holes after ablation. The mass and thickness of the sample were barely changed after ablation. After ablation for 120s at 1800℃, the surface morphology of composite material showed no significant change. With the increase of ablation temperature, there were visible signs of high-temperature and high-pressure gas erosion found on the surface of composites. Then, the molten black material began to appear on the surface, and the delamination phenomenon occurred finally. After ablation at 2200℃, the surface of composites became uneven, manifesting large-scale black molten particles, and the area affected by ablation was increasing obvious.
Evaluation of gridded meteorological datasets and their potential hydrological application to a humid area with scarce data for Pirapama River basin, northeastern Brazil
Authors: Viana Jussara Freire de Souza , Montenegro Suzana Maria Gico Lima , Silva Bernardo Barbosa da , Silva Richarde Marques da , Sriniva Raghavan , Santos Celso Augusto Guimarães , Araújo Diego Cezar dos Santos , Tavares Clara Gadelha 
Published: April 2021

Abstract
This work evaluated the simulation of streamflow using observed and estimated gridded meteorological datasets and the Soil and Water Assessment Tool (SWAT) model for a humid area with scarce data in northeastern Brazil. The coefficient of determination (R²), Nash-Sutcliffe efficiency (NS), root mean square error (RMSE), normalized root mean square error (NRMSE), and percent bias (PBIAS) were used to assess the SWAT results yielded by estimated and observed rainfall data. The hydrological modeling data from three streamflow stations were used (2000 to 2006 for calibration and 2007 to 2010 for validation). The results show that at daily scale, the estimated rainfall data show a poor agreement (R² ranging from 0.22−0.04) with the observed rainfall but good agreement at monthly (R² = 0.85) and annual scales (R² = 0.80). The results showed that estimated accumulated precipitation overestimated the observed data. The results showed that R² ranged from 0.51−0.55 at monthly scale and 0.44−0.52 at annual scale. However, the global data can represent well the variability of rainfall within the region. The results indicated a good correlation in the seasonal variability (R² ranged from 0.72−0.60). The modeling results using monthly TRMM data and observed rainfall data showed good values of NS and R² during calibration and validation, but PBIAS was unsatisfactory for the three streamflow gauges. The streamflow estimates from the SWAT model using data from the TRMM satellite showed that such data are capable of generating satisfactory results after calibration, although measured rainfall data presented better results; the data could support areas with scarce rainfall data and be applied to other river basins, for example, to analyze the hydrological potential of other basins in the coastal region of northeastern Brazil. Over the past three decades, considerable advances have been made in remote sensing with environmental satellites, increasing the amount of information available, including rainfall estimates. In this context, the use of TRMM data to estimate rainfall has ultimately been shown to be an interesting alternative for areas with scarce rainfall data.
Pedigree Investigation, Clinical Characteristics and Prognosis Analysis of Hematological Disease Patients with Germline TET2 Mutation
Authors: Wu Xia , Deng Jili , Zhang Nanchen , Liu Xiaoyan , Zheng Xue , Yan Tianyou , Ye Wu , Gong Yuping 
Published: April 2021

Abstract
Background: More and more germline gene mutations have been discovered in hematological malignances with the development of next gene sequencing (NGS). Tet methylcytosine dioxygenase 2 (TET2) is one of the most common mutation genes in hematological neoplasms. We aimed to analyzed whether germline TET2 mutation has a family aggregation or is a tumor predisposition gene. Further we compared its impact with somatic TET2 mutation in hematological diseases.Methods: A total cohort of 103 hematological patients with TET2 mutation were included from December 2016 to December 2019. Data were extracted from hematology department of West China Hospital of Sichuan University. Bone marrow (BM) or peripheral blood (PB) as somatic DNA origin to be detected by next-generation sequencing (NGS), and nails and hairs as germline DNA origin to be detected by Sanger sequencing, respectively. Further, we compared the clinical characteristics between the patients with germline and somatic TET2 mutation.Results: 103 patients were included, including 33 (32.03%) patients with germline TET2 mutation and 70 (67.97%) patients with somatic TET2 mutation. Variant allele frequency (VAF) of germline TET2 mutation was more stable in our study, ranging from 40% to 55% and mutation sites were more concentrated. Patients with germline TET2 mutation were younger with median age 48 (range, 16-82) (P=0.0078). Further, patients with germline TET2 mutation were mainly myelodysplastic syndromes (MDS) (n=13, 39.4%), while patients with somatic TET2 mutation were acute myeloid leukemia (AML) (n=28, 40.0%) (P=0.0003). Germline TET2 mutation affected the distribution of peripheral blood cell count and the proportion in bone marrow (P<0.05). Germline TET2 mutation was a poor prognosis factor in MDS patients via univariate analysis (HR=5.3, 95%CI: 0.89-32.2, P=0.0209), but not in multivariate analysis by Cox regression model (P=0.062).Conclusions: Some family members were asymptomatic carriers, which indicated germline TET2 mutation might have a family aggregation. More importantly, TET2 gene may be a predisposition gene of hematological malignant when the other gene mutations as the second hit. The VAF of germline TET2 mutation is more stable. At the same time, the germline TET2 mutation may be an adverse factor for the MDS patients.
Clinical Values and Functional Analysis Of KMT2A/B/C/D/E/F in Gastric Cancer by Integrated Bioinformatics Analysis
Authors: Su Xianhao , Li Qiuyue , Liu Shaoqun , Cao Yiou , Xu Ye , WU Yibin 
Published: April 2021

Abstract
KMT2A/B/C/D/E/F have been identified be involved in the tumor progression of gastric cancer (GC). However, the clinical significance and function of the 6 KMT2s have not yet been analyzed. Here, we investigated the transcriptional and survival data of KMT2s family genes in GC based on integrated bioinformatics analysis. cBioPortal was used to analyze the alteration frequency and functional networks of KMT2s in GC. And GO and KEGG pathways were also identified. Gene enrichment analysis was performed to investigate the networks of kinase, miRNAs and transcription factor target. We found that KMT2s were highly expressed in GC, and associated with tumor stages and grades. Besides, higher KMT2s expression were significantly associated with shorter overall survival (OS), progression-free survival (FP) and post-progression survival (PPS). Also, promoter methylation levels of KMT2s were positively associated with KMT2s expression and clinical data. Moreover, high mutation rate of KMT2s (40%) was also observed in GC patients. Functional networks analysis suggested that KMT2s might regulate histone lysine methylation and chromatin organization via PI3K/AKT and MAPK signaling pathways involving in some kinase, miRNA and transcription factor. Taken together, these findings suggested that KMT2A/B/C/D/E/F may be prognostic and therapeutic biomarkers of patients with GC.
Development and Validation of a Novel 13-Genes Prognostic Model for Colon Cancer
Authors: Yun Duo , Yang Zhirong 
Published: April 2021

Abstract
Colon cancer is one of the most common malignant tumors in the world. The purpose of this study is to explore the prognostic value of genes in colon cancer. After analyzing gene expression profiles, differential expressed genes between 39 normal tissues and 398 tumor tissues were identified from The Cancer Genome Atlas database. We use Cox and lasso regression to find genes related to prognosis. Through analysis, 13 genes were found to predict the overall survival of colon cancer patients. In addition, the external comparing of gene expression and the single prognostic gene survival analysis were made. Finally, pathway enrichment and mutation status of each gene were also analyzed. After a series of bioinformatics analysis, we select 13 survival-related signature and established a prognostic risk model based on these genes. The prognostic risk model was developed to comprehensively predict the overall survival of colon cancer patients. The prognostic value of the 13-genes (CLDN23,HAND1,IL23A,KLHL35,SIX2,UPK2,HOXC11,KRT6B,SRCIN1,TNNI3,TYRO3,MIR6835,LINC02474) related risk score for each colon cancer patent was calculated to predict the survival. Furthermore, five genes (SIX2 MIR6835 LINC02474 CLDN23 HOXC11) were significantly associated with overall survival (OS). The KEGG pathway enrichment results suggested that most of the pathways are related to the occurrence, metabolism, proliferation and invasion of the tumor cells. It was found that the expression of 13-genes signature can be used as prognostic indicator for colon cancer patients. The 13-genes signature predictive model may help clinicians provide a prognosis and personalized treatment for colon cancer patients.
MarginProbe Radiofrequency Spectroscopy with Intraoperative Pathology Assessment: Synergistic, or Redundant?
Authors: Qafiti Fred , Layton Christina , McDonald Kerry-Ann 
Published: April 2021

Abstract
Background:Published MarginProbe (MP) data reports ≥50% reduction in positive lumpectomy margins. Standard of care (SOC) in our facility uses intraoperative pathologic gross assessment for invasive cancer. We sought to determine if adjunctive use of MP would provide incremental value over gross assessment alone. Methods:This is a single-site, single-surgeon retrospective chart review of 86 consecutive lumpectomies with MP from 12/2018–11/2019. Margins were considered positive using SSO/ASTRO “no ink on tumor” consensus guideline for invasive cancer, and SSO/ASTRO/ASCO consensus guideline of 2mm or greater for pure DCIS. Significance was measured using Fisher’s exact two-tailed test.Results:76 patients (7 bilateral, 3 unilateral/multi-focal) yielded 86 lumpectomies for inclusion. Mean age was 69.8 and mean tumor size was 1.09cm. 68 invasive cancers were assessed using adjunct MP and gross assessment while 18 DCIS cases utilized MP only. Among all cases, gross assessment alone reduced positive margins from 27.9% to 19.8% (29.2% relative reduction, p=0.28). Utilizing both modalities in tandem, positive margins decreased from 27.9% to 9.3% (66.7% relative reduction, p<0.01) representing a 46.9% relative reduction versus gross assessment alone. Main specimen tissue volume was 27.1cc. After gross assessment and MarginProbe evaluation, there was additional excised volume that averaged 2.9 cc. Total averaged excised volume was 33 cc. This compares to the reported 40-60 cc average in multiple studies.Conclusion:Adjunctive use of MP with gross assessment maximizes reduction of positive margins during breast conserving surgery while minimizing impact on specimen volumes.
Machine Learning to Predict Post-Operative Acute Kidney Injury Stage 3 After Heart Transplantation
Authors: Li Tingyu , Yang Yuelong , Huang Jinsong , Chen Rui , Wu Yijin , Li Zhuo , Lin Guisen , Liu Hui , Wu Min 
Published: April 2021

Abstract
Background

Acute kidney injury (AKI) stage 3, one of the most severe complications in patients with heart transplantation (HT), is associated with substantial morbidity and mortality. We aimed to develop a machine learning (ML) model to predict post-transplant AKI stage 3 based on preoperative and perioperative features.
Methods

Data from 107 consecutive HT recipients in the provincial center between 2018 and 2020 were included for analysis. Logistic regression with L2 regularization was used for the ML model building. The predictive performance of the ML model was assessed using the area under the curve (AUC) in 10-fold stratified cross-validation and was compared with that of the existing clinical metrics.
Results

Post-transplant AKI occurred in 71 (66.3%) patients including 13 (12.1%) stage 1, 13 (12.1%) stage 2, and 45 (42.1%) stage 3 cases. The top four features selected for the ML model to predicate AKI stage 3 were serum cystatin C, estimated glomerular filtration rate (eGFR), right atrial long-axis dimension, and serum creatinine (SCr). The predictive performance of the ML model (AUC: 0.828; 95% confidence interval [CI]: 0.745–0.913) was significantly higher compared with that of the existing clinical metrics including eGFR (AUC: 0.694; 95%[CI]: 0.594–0.795, p < 0.05) and SCr (AUC: 0.525; 95%[CI]: 0.411–0.636), p < 0.001).
Conclusions

The ML model, which achieved an effective predictive performance for post-transplant AKI stage 3, may be helpful for timely intervention to improve the patient’s prognosis.
InChI Version 1.06: Now More Than 99.99 % Reliable
Authors: Bolton Evan , Goodman Jonathan M , Heller Stephen R , Pletnev Igor , Thiessen Paul 
Published: April 2021

Abstract
The software for the IUPAC Chemical Identifier, InChI, is extraordinarily reliable. It has been tested on large databases around the world, and has proved itself to be an essential tool in the handling and integration of large chemical databases. InChI version 1.05 was released in January 2017 and v. 1.06 in December 2020. In this paper, we report on the current state of InChI Software, the details of the improvements in the v.1.06 release , and the results of a test of the InChI run on PubChem, a database of more than a hundred million molecules. The upgrade introduces significant new features, including support for pseudo-element atoms and an improved description of polymers. We expect that few, if any, applications using the standard InChI will need to change as a result of the changes in version 1.06. Numerical instability was discovered for 0.002 % of this database, and a small number of other molecules were discovered for which the algorithm did not run smoothly. On the basis of PubChem data, we can demonstrate that InChI version 1.05 was 99.996 % accurate, and InChI version 1.06 represents a step closer to perfection. Finally, we look forward to future releases and extensions for the InChI Chemical identifier.