bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structure-based virtual screening, biological assessment, and MD simulation studies of novel CNS compatible GSK-3β inhibitors as potential Alzheimer’s disease therapeutics.
Authors: Sukanya Sukanya , Choudhary Bhanwar Singh , Mehta Pakhuri , Filipek Slawomir , Malik Ruchi 
Published: February 2022

Abstract
Alzheimer’s Disease (AD) is one of the significant diseases of the aging population and affects Central Nervous System dominantly. Blood-brain-barrier permeation is a substantial complication in developing CNS drugs, and it is considered challenging with minimal success rates. Although Glycogen synthase kinase-3β (GSK-3β) is an attractive disease-modifying target for AD, there is no single GSK-3β inhibitor in clinical trials for AD. Here we performed structure-based virtual screening on the Chembridge CNS-Set library compounds. 10 hits were identified based on interaction, binding energy, and dock score. These 10 chosen compounds showed a potential ADME profile and were then investigated for in vitro kinase inhibitory activity against GSK-3β and other AD-related kinases. Among these, the molecule 7114202 showed 48% GSK-3β inhibition while showing selectivity over other AD-related kinases. Molecular dynamic simulations of apoenzyme, co-crystallized molecule, and 7114202 validated the Lys85, Val135, Leu188, Asp200 located in the active site of enzyme plays a significant role for GSK-3β complex formation with inhibitors, and they are responsible for activity and selectivity. The in vitro studies also revealed a potent and selective Casein Kinase 1ε (CK1ε) inhibitor 7774767 with IC50 5.10 µM.
Gordon Holmes syndrome and Huntington-like disease: Two types of RNF216-related disorders
Authors: Wu Chujun , Zhang Zaiqiang 
Published: February 2022

Abstract
Background and purpose: Cases of RNF216-related disorders have been reported sporadically. The systemic clinical classification and phenotype-genotype correlations of these disorders have not been fully studied.Methods: We report the case of a patient with a novel homozygous mutation in RNF216 and review the cases of all patients with RNF216 mutations reported in the literature. These patients were classified by clinical phenotypes into those with Gordon Holmes syndrome (GHS) and those with Huntington-like disease (HLD). Clinical and genetic features were compared between the groups.Results: The cases of twenty-one patients from 14 families with RNF216 mutations were identified and collected. Eleven (52.4%) patients presented with GHS, and eight (38.1%) presented with HLD. GHS patients had a younger age of onset (24.2 vs. 36.9 years, P<0.001) and a higher percentage of male patients (81.8% vs. 25.0%, P=0.024) than HLD patients. Five (62.5%) HLD patients had ataxia, but only one (9.1%) GHS patient developed chorea. Male patients had a higher percentage of poor pubertal development than female patients (69.2% vs. 12.5%, P=0.024). White matter lesions and cerebellar atrophy were the most common imaging findings in both groups. The mutations in nine (64.3%) families were inherited in a monogenic recessive pattern, whereas the mutations in five (35.7%) were inherited in an oligogenic pattern by acting with mutations in OTUD4, SRA1 or other unknown genes. All eight mutations found in GHS patients and 57.1% (4/7) of mutations found in HLD patients resulted in amino acid changes or the truncation of the “RING-between-RING” (RBR) domain, which plays a key role in the ubiquitin E3 ligase activity of RNF216.Conclusion: Patients with RNF216 mutations mainly presented with GHS or HLD in a monogenic autosomal-recessive pattern or an oligogenic pattern. The mutations in GHS patients affected the RBR domain and are thought to abrogate ubiquitin E3 ligase activity. The pathogenic mechanism underlying RNF216-related HLD is still unknown.
Effect factors and evaluation method of part accuracy formed by ultrasonic micro punching with a flexible punch
Authors: Liu Chang-tao , Liu Wei , Xu Xiao-guang , Zhu Likuan , Luo Feng 
Published: February 2022

Abstract
In this paper, an automatic and quick evaluating method for micro-hole size and form accuracy with computer-aided technique was proposed. Using this method, the form accuracy of the micro-hole punched by a special ultrasonic microforming method, that is Micro Ultrasonic thin Sheetmetal Forming using molten plastic as ﬂexible punch (short as Micro-USF), was discussed. Using this microforming method, micro-holes with diameters of 500,600 and 700 mm were punched from a thin sheet of purple copper with a thickness of 30 mm. The experimental results showed that the ratios of the maximum size error and the maximum roundness error of the micro-hole to the corresponding punching die diameter were 1.40% and 1.47%, respectively, and the ratios of the maximum size error range and the maximum form error range to the corresponding punching die diameter were 0.70% and 0.72%, respectively, indicating that this Micro-USF method has high accuracy and precision for punching micro-holes. Moreover, it was found that there is no significant direct correlation between micro-holes sample errors and these forming parameters when the forming parameters such as ultrasonic power, ultrasonic time and cylinder pressure were varied, which indicated that the sample errors were random in some extent.
Jeotgalibacillus kunyuensis sp. nov., a novel orange-pigmented species with relative genes or gene clusters, isolated from wetland soil in Yantai, China
Authors: Jiang Hui-Ning , Yun Shuai-Ting , Wang Bao-Xun , Zhang Ming-Jing , Ma Yu , Zhou Yan-Xia 
Published: February 2022

Abstract
A Gram-stain-positive, orange-pigmented, rod-shaped, flagellated bacterial strain T12T, was isolated from wetland soil in Kunyu Mountain Wetland in Yantai, China. This organism was able to grow at 15–40 °C (optimum 37 °C), at 0.0–9.0% NaCl (optimum 2%, w/v) and at pH 5.5–9.0 (optimum 8.5). Phylogenetic analysis based on 16S rRNA indicated that strain T12T was a member of the family Planococcaceae and it represented highly 16S rRNA gene sequence similarity with Jeotgalibacillus salarius (97.6%) and the type strain, Jeotgalibacillus marinus (96.9%). Genome analysis revealed that the genome size was 3506682 bp and the DNA G+C content was 43.7 mol%. Besides, the genome sequence showed 55.0–74.6% average amino acid identity values and 67.8–74.7% average nucleotide identity values between the strain T12T and all the related strains. Digital DNA-DNA hybridization of strain T12T with Jeotgalibacillus proteolyticus and Jeotgalibacillus marinus demonstrated 19.0% and 20.3% relatedness. Chemotaxonomic analysis showed that the sole quinone was MK-7. The predominant cellular fatty acids were iso-C15:0, anteiso-C15:0, C16:1ω7c alcohol and iso-C14:0. The polar lipids consisted of aminolipid, phosphatidylglycerol, diphosphatidylglycerol and two unidentified phospholipids. Based on polyphasic characterization, strain T12T is considered to represent a novel species, for which the name Jeotgalibacillus kunyuensis sp. nov. is proposed. The type strain is T12T (= KCTC 43296T = MCCC 1K07171T).
Effects of nutrition counselling and unconditional cash transfer on child growth and family food security in internally displaced person camps in Somalia – A quasi-experimental study
Authors: Kalid Mohamed , Flacking Renée , Sulaiman Munshi , Osman Fatumo 
Published: February 2022

Abstract
Background:The effects of nutrition counselling (NC) and unconditional cash transfer (UCT) in improving growth in children under five and household food security are poorly understood in humanitarian settings. The aim of this study was to evaluate the effects of NC and NC combined with unconditional cash transfer (NC+UCT) on children’s growth and food security in Somalia.Methods:The study was performed with a quasi-experimental design in two districts in the Banadir region of Somalia. The study used two-stage stratified sampling. Caregivers (n=255) of mildly to moderately malnourished children aged 6 to 59 months old (n= 184) were randomized to the NC, NC+UCT and control groups. The interventions consisted of weekly NC for three months alone or in combination with UCT. The primary outcome variables of the study were indicators of children’s nutrition, i.e., wasting. The secondary outcome variables were indicators of underweight, stunting, and food security, i.e., dietary diversity, household hunger scale and food consumption scores. Data were collected at baseline and 11 months after programme implementation. Difference-in-differences analysis was used to estimate the effect of the interventions.Results:Our study did not find any significant impact on child wasting (aOR: 0.81, 95% CI: 0.26–2.56, p = 0.722), underweight (aOR: 1.29, 95% CI: 0.40–3.48, p = 0.603), or stunting (aOR: 0.84, 95% CI: 0.29–2.46, p = 0.764) compared to the control group. Similarly, in the NC+UCT group, we did not find any significant reduction in wasting (aOR: 0.79, 95% CI: 0.26–2.36, p = 0.669), underweight (aOR: 0.88, 95% CI: 0.33–2.35, p = 0.806), or stunting (aOR: 1.51, 95% CI: 0.55–4.20, p = 0.426) compared to the control group. No intervention effect was observed on food security outcomes, child dietary diversity scores, minimum child dietary diversity (≥4 food groups) or household expenses (Table 3).Conclusion:NC, alone or in combination with UCT, did not impact children’s growth or household food security. A culturally tailored NC programme over a longer period and larger, regular, and predictable transfers might result in a significant reduction in malnutrition and food insecurity.Trial registrationThe evaluation was registered on the RIDIE registry (RIDIE-STUDY-ID-5a1264bdb207a) on 11/19/2017.
Necroptosis-associated LncRNA markers for late survival prediction, immune and gene mutation analysis in ovarian cancer
Authors: fan weisen , qi yinghua , fan zhongqi , meng haoying , yang rumeng , sun xinyu , zhang yingjie 
Published: February 2022

Abstract
OBJECTIVE

To investigate the potential prognostic value of necroptosis-associated lncRNAs (NALncRNAs)in patients with ovarian cancer.
METHODS

Gene expression data from ovarian cancer patients with clinical data were downloaded from TCGA database. This is the base data for screening NALncRNAs that represent different survival times.lncRNA risk models were constructed by Cox regression analysis and evaluated for their prognostic value. The link between lncRNA signatures and related pathways, immune cell activity, immunological checkpoints, m6A-related genes, and gene mutations was also investigated.
RESULTS

In this study, eight NALncRNAs including USP30-AS1, MINCR, LINC01096, DNM3OS, LINC02574, DTNB-AS1, ACAP2-IT1, and ILVBL-AS1, all of which were well represented for the outcome of ovarian cancer patients. Noemogram after calibration curve validation has good clinical utility. Risk signatures were shown to be abundant in various pathways related to immunology and cell proliferation, according to gene set enrichment analysis. Patients' late survival outcome corresponds to differences in immune cells, immune checkpoints, immune function, etc.A better immune microenvironment would facilitate late survival, but inexplicably patients with long survival times have a higher immune escape. Patients with high mutations in genes appear to have better survival outcomes.
CONCLUSION

This study identified eight NALncRNAs markers for the first time, providing a valuable basis for more accurate prediction of ovarian cancer prognosis.
Ultrafast Transient Infrared For Probing Trapping States In Hybrid Perovskite Films
Authors: El-Zohry Ahmed M. , Türedir Bekir , Alsalloum Abdullah , Maity Partha , Bakr Osman M. , Ooi Boon S. , Mohammed Omar F. 
Published: February 2022

Abstract
Studying the charge dynamics of perovskite materials is a crucial step to understand the outstanding performance of these materials in various fields. Herein, we utilize transient absorption in the mid-infrared region, where solely electron signatures in the conduction bands are monitored without external contributions from other dynamical species. Within the measured range of 4000 nm to 6000 nm (2500-1666 cm-1), the recombination and the trapping processes of the excited carriers could be easily monitored. Moreover, we reveal that within this spectral region the trapping process could be distinguished from recombination process, in which the iodide-based films show more tendencies to trap the excited electrons in comparison to the bromide-based derivatives. The trapping process was assigned due to the emission released in the mid-infrared region, while the traditional band-gap recombination process did not show such process. Various parameters have been tested such as film composition, excitation dependence and the probing wavelength. This study open new frontiers for the transient mid-infrared absorption to assign the trapping process in perovskite films both qualitatively and quantitatively.
Cerebral Venous Thrombosis Presenting in Early Pregnancy Complicated with Nausea and Vomiting: A Single-Institute Consecutive Case series and Literature Review
Authors: Wang Chuan , Hu Xing , Lin Jianhua , Zhang Ning 
Published: February 2022

Abstract
Objectives Cerebral venous thrombosis (CVT) is a rare but potentially life-threatening condition in early pregnancy. We sought to describe the manifestation, treatment and outcomes of CVT presenting in early pregnancy through a retrospective consecutive case series in a tertiary referral center, so as to improve the awareness of this rare disease.Methods Between May 2018 and November 2021, consecutive seven patients with CVT presenting in early pregnancy were enrolled in Ren Ji Hospital, School of Medicine, Shanghai Jiao Tong University. All patients’ data like manifestations, laboratory and radiological data, treatment and prognosis were analyzed, and relevant literatures were also reviewed. Results All seven patients had been suffering from nausea and vomiting accompanied with headache prior to CVT occurrence. The headache was complained aggravation in severity with an average from 3.86 to 7.16 by visual analogue scale over several days. The mean age was 32.4±2.28 years, and mean BMI was 21.67 km/m2. All seven patients showed typical neurological symptoms on admission including epileptic seizures (n=2, 28.6%), limb weakness (n=4, 57.1%), aphasia (n=5, 71.4%), blurred vision (n=2, 28.6%), disturbed consciousness (n=3, 42.9%). Average score was 11.3 points (range from 3 to 15) on Glasgow coma scale (GCS). All patients were diagnosed with CVT at the first visiting day by imaging examinations and multiple venous sinuses thrombosis with average number of 3.7 per patient (range from 2 to 6) were confirmed, the most involved was transverse sinus (n=7, 100%), followed by sigmoid sinus (n=5, 71.4%). All of them was initiated anticoagulation treatment with low-molecular weight heparin (LMWH) instantly as soon as the CVT was defined. Two serious patients underwent catheter thrombolysis or/and decompressive craniotomy, but both still died of CVT deterioration within 5 days of admission. Other five patients were all performed selective induced abortion and was discharged after significant symptomatic improvement. They were remained anticoagulation for one year. At 12-month follow-up, MRI/MRV revealed sinuses were completely recanalized. Conclusions The present retrospective study should raise awareness of diagnosis and treatment of CVT in nausea and vomiting of early pregnancy complicated with headache. GCS evaluation on admission probably correlated with the prognosis. Neuroimaging remains the cornerstone for the diagnosis and instant anticoagulation prior to severe CVT aggravation is the key for the disease prognosis. Early pregnancy combined with CVT is not a contraindication of continued pregnancy based on the literature review.
In Vitro Examination of The Cytotoxicity of Alkasite Restorative Material on Dental Pulp Stem Cells
Authors: Capan Belen Sirinoglu , Duman Canan , Ordueri Nazli Ece , Elgun Tugba 
Published: February 2022

Abstract
Background: The clinical suitability of restorative dental materials is also determined by their biocompatibility, in addition to their physical and chemical properties. The present study aimed to examine the cytotoxic effects of three dental restorative materials on human dental pulp stem cells (DPSCs). Methods: This study examined the cytotoxic properties of a composite (Gradia Direct,GC Europe), a high-viscosity glass ionomer cement (HVGIC; Equia Forte,GC Europe), and an alkasite restorative material (Cention N,Ivoclar Vivadent). In total, 12 samples of each material were prepared for cytotoxicity assays; the cytotoxic effects were determined by taking biomaterial releases into consideration. Cell viability and proliferation were observed and analyzed at intervals of 24- and 72-hours using both the methyl-thiazole-diphenyl-tetrazolium (MTT,Sigma Aldrich) and xCELLigence (RTCA-DP,ACE) cytotoxicity assays. Data were calculated using the RTCA-DP integrated software of the xCELLigence system and the GraphPad Prism 9.1.1 (GraphPad Software, Inc) program. Data from the proliferation experiments were statistically evaluated using the two-way ANOVA test. Results: Alkasite exhibited the highest cytotoxicity, whereas HVGIC and composite did not exhibit any significant difference compared with the control. No difference in the cytotoxicity of the alkasite and composite was noted between the two time points in the MTT assay; however, the cytotoxicity of HVGIC was higher at 72-hours than that at 24-hours. Similar results were obtained with both assays. Conclusions: Although alkasite exhibited higher cytotoxicity compared to composite and HVGIC, all materials exerted slightly cytotoxic effects (60%–90% cell viability) on DPSCs. Considering its cytotoxic, aesthetic and mechanical properties, alkasite can be clinically preferred instead other materials in cavities that are not close to the dental pulp.
A Simple, Rapid, and Quantifiable System for Studying Adventitious Root Formation in Grapevine
Authors: Chang XinYu , Zhang Kai , Yuan Yunzhang , Ni Peiyi , Ma Jing , Liu Hui , Gong Shiyu , Yang Guoshun , Bai Miao 
Published: February 2022

Abstract
Woody cutting is customarily utilized as material in research of grape adventitious root formation (ARF). However, phenotypic heterogeneity caused by the complex background influenced its use for molecular mechanism research of ARF of grape. The present study tested various types of explants from grape tissue culture plantlets and found the whole leaf: blade with petiole (LP) was the simplest unit that can easily form adventitious root (AR). LP explants which can be easily obtained, directly generate ARs via de novo organogenesis from the base of the petiole. The plantlet age, node position, blade size, the health condition of leaves, and light intensity have been demonstrated to affect the homogeneity of ARF phenotype in LP. By controlling these parameters, selected LPs cultured on medium with 6 g·L-1 agar and 10 g·L-1 sucrose under dark conditions started rooting at 6-7 day after culture (DAC) and reached 100% rooting rate within 13-14 DAC. Using this system, the core role of auxin on ARF was verified by exogenous application of indole butyric acid (IBA) and N-1-naphthylphthalamic acid (NPA). Strikingly, we found light promoted ARF in the absence of sucrose, but inhibited ARF in the presence of sucrose (10 g·L-1), while a low concentration of 0.1 mg·L-1 NPA partially relieved the inhibition. Finally, this study confirmed exogenous plant growth regulators (PGRs), including 6-benzyl aminopurine (6-BA), gibberellic acid 3 (GA3), and 2,4-Epibrassinolide (EBR) inhibited ARF significantly. This simple, rapid, quantifiable ARF research system provides a new approach to study the factors influencing the formation and development of grape adventitious roots and establishes a framework for investigating the mechanism of grape adventitious root induction and initiation.
Iron Abundance in the Solar Photosphere: The Role of Ions, Non-LTE, Model Atmospheres, Oscillator Strengths, and Free Parameters
Authors: Foxon Floe 
Published: February 2022

Abstract
The photospheric iron abundance is important to understanding solar system formation and evolution, but methodological designs in the literature have produced significantly different abundance estimates. 290 original photospheric iron abundances were extracted from 68 primary publications identified through SAO/NASA Astrophysics Data System and Google Scholar. Methodological characteristics corresponding to each abundance estimate were categorised, including the ion studied, local thermodynamic equilibrium (LTE) assumption, the atmospheric model and its dimensions, the source of oscillator strengths, and microturbulence velocity. A linear mixed-effects regression model was implemented to quantify the role these variables play in abundance estimates. The mean photospheric iron abundance across all sources was 7.44 ± 0.02 dex on the astronomical log scale. On the average, abundance estimates from Fe II lines were 0.121+0.069-0.069 dex higher than those from Fe I lines (main effect), after controlling for other factors. Compared to LTE estimates, NLTE estimates were higher by 0.114+0.087-0.087 dex (main effect). The role of LTE was different for neutral and ionised iron analyses. LTE abundance predictions were lower than NLTE predictions for Fe I, but higher than NLTE predictions for Fe II. Other differences are described for various model atmospheres and oscillator strengths. A subgroup analysis of 245 1D and mean 3D model abundances suggests every 0.1 km s −1 increase in the microturbulence velocity parameter results in a 0.04 dex decrease in estimated abundance. These findings explain much of the differences in photospheric iron abundance estimates over time and have implications for future abundance research.
Cardiac repolarization abnormalities in children with Familial Mediterranean fever
Authors: Farag Yomna , Sayed Shaimaa , Mostafa Fatma Alzhraa , Marzouk Huda , Mohamed Raghda , Sobhi Rodina 
Published: February 2022

Abstract
Background: Familial Mediterranean fever (FMF) is an auto-inflammatory disease that can have conduction disturbances and cardiac rhythm disorders as manifestations of cardiac involvement. The aim of the study is to assess the susceptibility of children with FMF to cardiac repolarization abnormalities and therefore arrhythmia in children with FMF. Methods: A cross sectional study conducted on 60 children had FMF and 40 age and sex matched apparent healthy controls. Cardiac repolarization markers, cardiac dimensions and functions were assessed by ECG and conventional echocardiography in patients and controls. Results: The mean ±SD age of the patients was 10.43 ± 3.472 years, corrected QT (QTc) and the ratio of peak to end T wave (Tpe) over QTc interval (Tpe /QTc) increased significantly in FMF patients more than healthy control (p value 0.023 and 0.022 respectively). P wave dispersion (Pd) was significantly higher in FMF patients with amyloidosis (p value 0.030). No significant difference was found in cardiac dimensions and functions between the two groups. We found a statistically negative correlation between Pd and age of patients at time of study, age of disease onset and age at diagnosis. On the other hand, we found a statistically positive correlation between Pd with number of attacks per year and disease severity score. Furthermore, Tpe/QTc ratio correlated with FMF 50 score, QTc correlated with 24 hours proteinuria. QT, JT intervals correlated with fibrinogen. Conclusions: FMF Patients may have increased risk of arrhythmia and should be monitored on regular basis. Compliance to colchicine therapy and better disease control might play a role in decreasing this risk.