bluuebunny/crossref_metadata_2025_split huggingface dataset:
Simulation Studies 3D QSAR and Molecular Docking, on a Point Mutation of Protein Kinase B with Flavonoids Targeting Ovarian Cancer
Authors: Ajjarapu Suchitra , Tiwari Apoorv , Taj Gohar , Singh Dev , Singh Sakshi , Kumar Sundip 
Published: February 2021

Abstract
Cancer is the world’s dreaded disease and its prevalence is expanding globally. The study of integrated molecular networks is crucial for the basic mechanism of cancer cells and its progression. During the present investigation we have examined different flavonoids that targets protein kinases B (AKT1) protein which exerts their anticancer efficiency intriguing the role in cross talk cell signalling, by metabolic processes through in-silico approaches. Molecular dynamics simulation (MDS) was performed to analyse and evaluate the stability of the complexes under physiological conditions and the results were congruent with molecular docking. This investigation revealed the effect of a point mutation (W80R), considered based on their frequency of occurrence, with AKT1. The ligand with high docking scores and favourable behaviour on dynamic simulations are proposed as potential W80R inhibitors. A virtual screening analysis was performed with 12000flavonoids satisfying the Lipinski’s rule of 5 according to which drug-likeness is predicted based on its pharmacological and biological properties to be active and taken orally. The pharmacokinetic ADME (adsorption, digestion, metabolism and excretion) studies featured drug likeness. Subsequently, a statistical significant 3D-QSAR model of high correlation coefficient (R2) with 0.992 and cross validation coefficient (Q2) with 0.6132 at 4 component PLS (partial least square) were used to verify accuracy of the models. The molecular dynamics simulation of this study showed that the compound is Taxifolin (I-UPAC namely2-(3,4-dihydroxyphenyl)-3,4 –dihydro-2H-chromene-5,7-diol of C15H14O5, of CID ID-443637 evidenced a better interaction with docking score (-9.63Kcal/mol) exhibited the binding affinity with W80R mutant protein thus reflecting that natural inhibitor can be considered for experimental evaluation which provides targeted insights for new combination of drugs in forming a network in pharmacology.
Atomic-scale tandem regulation of anionic and cationic migration for long-life alkali metal batteries
Authors: Xiong Pan , Zhang Fan , Zhang Xiuyun , Liu Yifan , Wu Yunyan , Wang Shijian , Safaei Javad , Sun Bing , Ma Renzhi , Liu Zongwen , Bando Yoshio , Sasaki Takayoshi , Wang Xin , Zhu Junwu , Wang Guoxiu 
Published: February 2021

Abstract
Atomic-scale regulation of both cationic and anionic transport is of great significance in membrane-based separation technologies. Ionic transport regulation techniques could also play a crucial role in developing high-performance alkali metal batteries such as alkali metal-sulfur and alkali metal-selenium batteries, which suffer from the non-uniform transport of alkali metal ions and detrimental shuttling of polysulfide/polyselenide (PS) anions. These obstacles can cause severe growth of alkali metal dendrites and the irreversible consumption of active cathodes, leading to capacity decay and short cycling life. Herein, we report long-life alkali metal batteries enabled by atomic-scale tandem regulation of the migration of both alkali metal cations (Li+/Na+) and PS anions using negatively charged Ti0.87O2 nanosheets with Ti atomic vacancies. The shuttling of PS anions has been effectively eliminated via a robust electrostatic repulsion between the negatively charged nanosheets and PS anions. The negatively charged nanosheets can also regulate the migration of Li+/Na+ ions to ensure a homogeneous ion flux through efficient but light adhesion of Li+/Na+ ions within the nanosheets. The atomic Ti vacancies act as sub-nanometre pores to provide fast diffusion channels for Li+/Na+ ions. Therefore, eradication of PS shuttling and stable Li/Na-ion diffusion without compromising the fast transport of Li+/Na+ ions has been achieved for long-life alkali metal-sulfur and alkali metal-selenium batteries. This work provides a facile and effective strategy to regulate the transport of both cations and anions for developing advanced rechargeable batteries by using two-dimensional vacancy-enhanced materials.
WITHDRAWN: Nutrient removal effectivity of seaweeds as biofilter and water pollution control in hybrid grouper aquaculture wastewater at low salinity
Authors: Adharini Ratih Ida , Murwantoko Murwantoko , Probosunu Namastra , Setiawan Riza Yuliratno , Satriyo Tony Budi 
Published: February 2021

Abstract
This research aims to determine the performance and nutrient removal effectivity of seaweeds species, namely Ulva fasciata., Sargassum illicifolium, Gelidium sp., and Dictyota sp. as a biofilter in hybrid grouper aquaculture wastewater at low salinity (14-17 ppt). This study used a Completely Randomized Design with 3 replications. The statistical analysis was carried out by Analysis of Variance continued with the Least Significance Difference test, and the Kruskal-Walis test with the Mann-Whitney analysis, and T-test with a confidence level of 95%. The concentrations of ammonia, nitrate, phosphate, and water quality parameters were observed every 4 days. The seaweeds uptake of N and P in water, and Specific Growth Rate were also observed. The results showed that U. fasciata was able to reduce ammonia by 75.95% and nitrate by 79.53%, which were the highest compared to other treatments, while Dictyota sp. was able to reduce the highest phosphate by 87.5% for 20 days. The highest SGR was achieved by U. fasciata at 1.91 %day-1. The highest N content uptake by seaweeds was 104.4%, and the total P of 182.3% occurred in U. fasciata. Overall, U. fasciata has the highest performance and effectiveness as a biofilter that is able to reduce nutrient waste in low-salinity from grouper aquaculture, for re-circulation or before being discharged into the environment to reduce eutrophication and harmful Algal Blooms (HABs) in aquatic environment. The highest growth rate of U. fasciata can be used as food with highly nutritional and economical value.
Elimination of Glutamatergic Transmission From Hb9 Interneurons Does Not Impact Treadmill Locomotion
Authors: Koronfel Lina M , Kanning Kevin C , Alcos Angelita , Henderson Christopher E , Brownstone Robert M 
Published: February 2021

Abstract
The spinal cord contains neural circuits that can produce the rhythm and pattern of locomotor activity. It has previously been postulated that a rhythmogenic population of glutamatergic neurons, termed Hb9 interneurons, contributes to this rhythmogenesis. The homeobox gene, Hb9, is expressed in these interneurons as well as motor neurons. We developed a mouse line in which cre recombinase activity is inducible in neurons expressing Hb9. We then used this line to eliminate vesicular glutamate transporter 2 from Hb9 interneurons, and found that there were no deficits in treadmill locomotion. We conclude that glutamatergic neurotransmission by Hb9 interneurons is not required for locomotor rhythmogenesis. The role of these neurons in neural circuits remains elusive.
Psychological Distress and Health-Related Quality of Life Among Women With Breast Cancer: A Descriptive Cross-Sectional Study
Authors: Phoosuwan Nitikorn , Lundberg Pranee C. 
Published: February 2021

Abstract
Background: Globally, breast cancer is commonly found among women, and Sweden has the largest number of new cases diagnosed. Treatment leads to increased survival of patients, but they are at risk to experience psychological distress, including anxiety and depressive symptoms, and decreased health-related quality of life (HRQoL). This study investigated relationship between psychological distress and HRQoL, and related factors among women with breast cancer in Sweden.Methods: This descriptive cross-sectional study was conducted in Sweden. A total of 481 women with breast cancer from a list of a regional cancer centre answered a questionnaire about sociodemographic factors, social support, psychological distress and HRQoL. Data were subjected to Pearson’s correlation and linear regression analyzes. Results: Psychological distress was related to HRQoL in terms of body image, future perspective, side effects of systemic therapy, breast symptoms, arm symptoms, and hair loss. Lower age was likely to increase symptoms of anxiety, and undergone breast reconstruction was likely to increase symptoms of depression. Breast reconstruction and chemotherapy worsened body image, low support from partner decreased sexual functioning and enjoyment, and low support from physicians and nurses worsened future perspective, side effects of systemic therapy, breast symptoms and indignation about hair loss.Conclusions: Psychological distress were correlated with the HRQoL. Increased support from physicians, nurses, and partner may increase the HRQoL among women with breast cancer. Treatments of women with breast cancer, such as breast reconstruction and chemotherapy were factors that decreased the psychological distress and increased the HRQoL.
Sustainability in Quality Improvement (SusQI): A Case-study in Undergraduate Medical Education
Authors: Clery Philippa , ArchSmith Stuart d' , Marsden Oliver , Leedham-Green Kathleen 
Published: February 2021

Abstract
BackgroundThere is a pressing need for more sustainable healthcare. UK medical graduates are required to apply social, economic and environmental principles of sustainability to their practice. The Centre for Sustainable Healthcare has developed a sustainability in quality improvement (SusQI) framework and educator’s toolkit to address these challenges. We aimed to evaluate this toolkit at Bristol Medical School.MethodsWe facilitated a SusQI workshop for all third-year Bristol Medical School students. We used mixed methods including questionnaires, exit interviews and follow-up focus groups to evaluate the outcomes and processes of learning.ResultsStudents reported: improvements in knowledge, confidence, and attitudes in both sustainable healthcare and quality improvement; increased self-rated likelihood to engage in SusQI projects; and willingness to change behaviour to reduce environmental impact in their healthcare roles. Factors for successful teaching included: interactivity; collaboration and participation; and real-life, relevant and tangible examples of projects delivered by credible role models.ConclusionsSusQI education supported by the toolkit was effective at building knowledge and skills, and reframing thinking on sustainability in quality improvement. Combining the topics provided enhanced motivation for and engagement in both together, not only each individually. Further research is needed on translation of SusQI learning into practice.
The impact of hearing impairment and hearing aid use on progression to mild cognitive impairment in cognitively healthy adults: a longitudinal study of 5721 participants
Authors: Bucholc Magda , Bauermeister Sarah , Kaur Daman , McClean Paula , Todd Stephen 
Published: February 2021

Abstract
The increasing prevalence of dementia in older adults warrants attention to the identification of practices that can delay or reduce likelihood of progression to early forms of cognitive impairment, in particular, to mild cognitive impairment (MCI) which is often considered a transitional stage between healthy aging and dementia. In this study, we investigated the effect of hearing impairment and hearing aid usage on cognitive decline and progression to MCI in cognitively healthy individuals. We used data from a large referral-based cohort obtained from the National Alzheimer’s Coordinating Center. The baseline sample included 5721 cognitively normal subjects aged ≥ 40. We found that hearing impairment was associated with increased risk of progression to MCI (hazard ratio [HR] = 1.40, 95%CI, 1.16-1.68, false discovery rate [FDR] P < 0.001) and an accelerated rate of cognitive decline (P < 0.001). Among hearing-impaired participants, hearing aid users were less likely to develop MCI (HR, 0.33; 95% CI, 0.23-0.47; FDR P < 0.001) and experienced slower cognitive decline (P = 0.004) when compared to those not using hearing aids. We found no statistically significant differences in risk of conversion to MCI between individuals with normal hearing and hearing-impaired adults using hearing aids (HR, 1.23; 95% CI, 0.99-1.50; FDR P = 0.08). Our findings highlight the need for a randomized clinical trial that will allow us to investigate whether there is a causal relationship between hearing loss, hearing aid use, and conversion to MCI. Such knowledge could provide new and novel insights into prevention of cognitive impairment and dementia.
Role of Autophagy in the Prognosis of Combined Hepatocellular Carcinoma and Cholangiocarcinoma after Surgical Resection
Authors: Perng Daw-Shyong , Lin Hung-Yu , Morgan Paul , Wu Tsung-Chin , Hung Chao-Ming , Hsieh Pei-Min , Yeh Jen-Hao , Hsiao Pojen , Lee Chih-Yuan , Li Yu-Chan , Wang Ya-Chin , Chen Yaw-Sen , Lin Chih-Wen 
Published: February 2021

Abstract
Background: Autophagy-related proteins may predict postresection overall survival (OS) and disease-free survival (DFS) in patients with combined hepatocellular carcinoma and cholangiocarcinoma (cHCC-CC). Methods: We prospectively investigated how these proteins affect clinical prognosis in 40 patients who underwent hepatectomy for cHCC-CC from 2011 to 2019 at a Taiwanese hospital. Levels of autophagy-related proteins, namely LC3, Beclin-1, and p62, were immunohistochemically assessed in patient tumor and non-tumor tissues. Results: We noted that LC3 expression was significantly correlated with mild clinicopathological characteristics, including macrovascular invasion, lymph node metastasis, American Joint Committee on Cancer and Barcelona Clinic Liver Cancer stages, recurrence, and mortality. Ten patient showed tumor recurrence, and 15 patients died. Postresection 5-year OS and DFS rates were 43.7% and 57.4%, respectively. Cox regression analysis showed that high intratumoral LC3 expression was significantly associated with improved OS [hazard ratio (HR; 95% confidence interval (CI)): (1.68–26.9), p = 0.007], but multiple tumors and microvascular invasion was significantly correlated with poor OS [HR (95% CI): 0.03 (0.01–0.34), p = 0.004, and 0.07 (0.01–0.46), p = 0.006, respectively]. Furthermore, high LC3 expression and cirrhosis had improved DFS [HR (95% CI): 51.3 (2.85–922), p = 0.008, and 17.9 (1.05–306), p = 0.046, respectively]. The 5-year OS and DFS rates were respectively 61.2% and 74.6% in high LC3 expression patients and 0% and 0% in those with low LC3 expression. Conclusion: High LC3 expression in tumors is significantly associated with mild clinicopathological characteristics and favorable clinical prognosis in patients with cHCC-CC after resection.
Virtual intracranial electroencephalography for epilepsy surgery using ictal magnetoencephalography
Authors: Cao Miao , Galvis Daniel , Vogrin Simon , Woods William , Vogrin Sara , Wang Fan , Woldman Wessel , Terry John , Peterson Andre , Plummer Chris , Cook Mark 
Published: February 2021

Abstract
Modelling the interactions that arise from neural dynamics in seizure genesis is challenging but important in the effort to improve the success of epilepsy surgery. Dynamical network models developed from physiological evidence offer insights into rapidly evolving brain networks in the epileptic seizure. A major limitation of previous studies in this field is the dependence on invasive cortical recordings with constrained spatial sampling of brain regions that might be involved in seizure dynamics. Here, we propose a novel approach, virtual intracranial electroencephalography (ViEEG), that combines non-invasive ictal magnetoencephalographic imaging (MEG), dynamical network models and a virtual resection technique. In this proof-of-concept study, we show that ViEEG signals reconstructed from MEG alone preserve critical temporospatial characteristics for dynamical approaches to identify brain areas involved in seizure generation. Our findings demonstrate the advantages of non-invasive ViEEG over the current presurgical ‘gold-standard’ – intracranial electroencephalography (iEEG). Our approach promises to optimise the surgical strategy for patients with complex refractory focal epilepsy.
Mid Upper Arm Circumference in Pregnant Women and Birth Weight in Newborns as Substitute for Skinfold Thickness: Findings from the MAASTHI Cohort Study, India.
Authors: Babu Giridhara R. , Das Aritra , Lobo Eunice , R. Deepa , John Daisy A. , Thankachan Prashanth , Khetrapal Sonalini , Benjamin-Neelon Sara E. , Murthy GVS 
Published: February 2021

Abstract
Background: Estimating fat deposition in public hospitals using gold-standard measurements such as high-resolution imaging is unaffordable and it is challenging to use skinfold thickness. We aimed to identify the appropriate substitute marker for skinfold thickness to estimate fat deposition in pregnant women and infants.Methods: The study is part of a prospective cohort study titled, MAASTHI in Bengaluru, from 2016-19. Anthropometric measurements such as body weight, head circumference, mid upper arm circumference (MUAC), and skinfold thickness were measured in pregnant women between 14 to 36 weeks of gestational age; while measurements such as birth weight, head, chest, waist, hip, mid upper arm circumference, and skinfold thickness were recorded for newborns. We calculated Kappa statistics to assess agreement between these anthropometric markers with skinfold thickness. Results: We found the highest amount of agreement between total skinfold thickness and MUAC (Kappa statistic, 0.42; 95% CI 0.38-0.46) in pregnant women. For newborns, the highest agreement with total skinfold thickness was with birth weight (0.57; 95% CI 0.52-0.60). Our results indicate that MUAC higher than 29.2 cm can serve as a suitable alternative to total skinfolds-based assessments for obesity screening in pregnancy in public facilities. Similarly, a birth weight cut-off of 3.45 kg can be considered for classifying obesity among the newborns. Conclusions: Mid upper arm circumference and birth weight can be used as markers of skinfold thickness, reflecting fat deposition in pregnant women and the infant, respectively. These two anthropometric measurements could substitute for skinfold thickness in low- and middle-income urban India settings.
A Self-contained and Self-explanatory DNA Storage System
Authors: Li Min , Dai Junbiao , Jiang Qingshan , Wang Yang 
Published: February 2021

Abstract
Current research on DNA storage usually focuses on the improvement of storage density with reduced gene synthesis cost by developing effective encoding and decoding schemes while lacking the consideration on the uncertainty in ultra long-term data storage and retention. Consequently, the current DNA storage systems are often not self-containment, implying that they have to resort to external tools for the restoration of the stored gene data. This may result in high risks in data loss since the required tools might not be available due to the high uncertainty in far future. To address this issue, we propose in this paper a self-contained DNA storage system that can make self-explanatory to its stored data without relying on any external tools. To this end, we design a specific DNA file format whereby a separate storage scheme is developed to reduce the data redundancy while an effective indexing is designed for random read operations to the stored data file. We verified through experimental data that the proposed self-contained and self-explanatory method can not only get rid of the reliance on external tools for data restoration but also minimize the data redundancy brought about when the amount of data to be stored reaches a certain scale.
Identifying Self-reported Health-related Problems in Home-based Rehabilitation of Older Patients after Hip Replacement in China: A Machine Learning Study based on Omaha System Theory
Authors: Chen Jing , He Fan , Wu Qian , Wang Li , Zhu Xiaoxia , Qi Yan , Shi Yan 
Published: February 2021

Abstract
Background: With the aging of the population, the number of total hip replacement surgeries is increasing globally. Hip replacement has undergone revolutionary advancements in surgical methods and materials. Due to the short length of hospitalization, rehabilitation care is mainly home-based. The needs and concerns about such home-based rehabilitation are constantly changing, requiring continuous attention. Objective: To explore effective methods for comprehensively identifying older patients’ self-reported outcomes after home-based rehabilitation for hip replacement, in order to develop appropriate intervention strategies for patient rehabilitation care in the future. Methods: This study constructed a corpus of patients’ self-reported rehabilitation care problems after hip replacement, based on the Omaha classification system. This study used the Python development language and implemented artificial intelligence to match the corpus data on the cooperation platform, to identify the main health-related problems reported by the patients, and to perform statistical analyses. Results: Most patients had physical health-related problems. More than 80% of these problems were related to neuromusculoskeletal function, interpersonal relationships, pain, health care supervision, physical activity, vision, nutrition, and residential environment. The most common period in which patients' self-reported problems arose was 6 months post-surgery. The relevant labels that were moderately related to these problems were: Physiology—Speech and Language and Physiology—Mind (r = 0.45), Health-Related Behaviors—Nutrition and Health-Related Behaviors—Compliance with Doctors' Prescription (r = 0.40). Conclusion: Physiological issues remain the main health-related issues for home-based rehabilitation after hip replacement in older patients. Precision care has become an important principle of rehabilitation care. This study used big data law to obtain the largest quantitative network data possible. The artificial intelligence capture was fully automated, which greatly improved efficiency, as compared to manual data entering.
The FCGR3A 158 V/V-Genotype is Associated With Decreased Survival of Renal Allografts With Chronic Active Antibody-Mediated Rejection
Authors: Litjens Nicolle , Peeters Annemiek , Gestel Judith Kal-van , Klepper Mariska , Betjes Michiel 
Published: February 2021

Abstract
Natural killer (NK) cells express the Fc-receptor CD16 (FCGR3A) and could therefore mediate renal endothelial cell damage in cases of chronic-active antibody mediated rejection (c-aABMR). The V/V-genotype of the FCGR3A 158 F/V polymorphism is associated with increased CD16 expression and cytotoxicity by NK cells. This study evaluated whether this genotype is associated with the diagnosis of c-aABMR and renal allograft loss.The distribution of the FGCR3A 158 F/V-genotypes was not different for c-aABMR cases (N=133) compared to control kidney transplant recipients (N=116, p=0.65). The V-allele was associated with increased median fluorescence intensity (MFI) of CD16 by NK cells (MFI 3.5x104 versus 1.3x104 for V/V and F/F-genotype, P<0.001). Increased expression of CD16 correlated with CD16-dependent degranulation of NK cells (R=0.4; P=0.02). Moreover, the V/V-genotype was significantly associated with a higher glomerulitis score and an independent risk factor (HR 1.98; P=0.04) for decreased allograft survival. Death-censored graft survival in c-aABMR cases at 3 years follow-up was 33% for the FCGR3A 158 V/V-genotype versus 62% for the F/F-genotype. In conclusion, the FCGR3A V/V-genotype increases CD16-mediated NK cell cytotoxicity and is associated with a higher glomerulitis score and decreased graft survival in cases with c-aABMR.