bluuebunny/crossref_metadata_2025_split huggingface dataset:
Acyl Derivatives of Eudesmanolides To Boost their Bioactivity: An Explanation of Behavior in the Cell Membrane Using a Molecular Dynamics Approach
Authors: Mejías Francisco J. R. , Durán Alexandra G. , Zorrilla Jesús G. , Varela Rosa M. , Molinillo José M. G. , Valdivia Manuel M. , Macías Francisco A. 
Published: December 2020

AbstractSemisynthetic analogs of natural products provide an important approach to obtain safer and more active drugs and they can also have enhanced physicochemical properties such as persistence, cross‐membrane processes and bioactivity. Acyl derivatives of different natural product families, from sesquiterpene lactones to benzoxazinoids, have been synthesized and tested in our laboratories. These compounds were evaluated against tumoral and nontumoral cell lines to identify selective derivatives with a reduced negative impact upon application. The mode of action of these compounds was analyzed by anti‐caspase‐3 assays and molecular dynamics simulations with cell membrane re‐creation were also carried out. Aryl derivatives of eudesmanolide stand out from the other compounds and are better than current anticancer drugs such as etoposide in terms of selectivity and activity. Computational studies provide evidence that lipophilicity plays a key role and the 4‐fluorobenzoyl derivative can pass easily through the cell membrane.
Tautomycetin Synthetic Analogues: Selective Inhibitors of Protein Phosphatase I
Authors: Woydziak Zachary R. , Yucel A. John , Chamberlin A. Richard 
Published: December 2020

AbstractSer/Thr protein phosphatases (PPs) regulate a substantial range of cellular processes with protein phosphatases 1 (PP1) and 2 A (PP2A) accounting for over 90 % of the activity within cells. Nevertheless, tools to study PPs are limited as PPs inhibitors, particularly those selective for PP1 inhibition, are relatively scarce. Two examples of PP1‐selective inhibitors, which share structural similarities, are tautomycin (TTM) and tautomycetin (TTN). This work describes the development of PP1/PP2A inhibitors that incorporate key structural features of TTM and TTN and are designed to conserve regions known to bind the active site of PP1/PP2A but vary regions that differentially contact the hydrophobic groove of PP1/PP2A. In all 28 TTN analogues were synthetically generated that inhibit PP1/PP2A activity at <250 mM; seven possessed inhibition activity at 100 nM. The IC50 values were determined for the seven most active analogues, which ranged from 34 to 1500 nM (PP1) and 70 to 6800 nM (PP2A). Four of the seven analogues possessed PP1 selectivity, and one demonstrated eightfold selectivity in the nanomolar range (PP1 IC50=34 nM, PP2A IC50=270 nM). A rationale is given for the observed differences in selectivity.
Characterizing clinics with differential changes in the screening rate in the Colorectal Cancer Control Program of the Centers for Disease Control and Prevention
Authors: Sharma Krishna P. , Leadbetter Steven , DeGroff Amy 
Published: December 2020

BackgroundThe Centers for Disease Control and Prevention (CDC) funds the Colorectal Cancer Control Program (CRCCP) to increase colorectal cancer (CRC) screening rates in primary care clinics by implementing evidence‐based interventions (EBIs). This study examined differences in clinic characteristics and implementation efforts among clinics with differential changes in screening rates over time.MethodsCRCCP clinic data collected by the CDC were used. The outcome was the clinic status (highest quartile [Q4] vs lowest quartile [Q1]), which was based on the absolute screening rate change between the first and second program years. Five clinic characteristic variables and 12 clinic‐level CRCCP variables (eg, EBIs) were assessed in bivariable analyses, and logistic regression was used to determine significant predictors of the outcome.ResultsEach group included 78 clinics (N = 156). Clinics with a Q4 status saw a 14.9 percentage point increase in the screening rate, whereas clinics with a Q1 status experienced a 9.1 percentage point decline. Q4s were more likely than Q1s to have a CRC champion, implement 4 EBIs versus fewer EBIs, implement at least 1 new EBI, and increase the number of implemented EBIs. The adjusted odds of Q4 status were 5.3 times greater (95% confidence interval [CI], 1.9‐14.9) if a clinic implemented an additional EBI. The adjusted odds of Q4 status increased to 7.1 (95% CI, 2.2‐23.1) if a clinic implemented 2 to 4 additional EBIs.ConclusionsImplementing new EBIs or enhancing existing ones improves CRC screening rates. Additionally, clinics with lower screening rates had greater rate increases and may have benefited more from the CRCCP.
Sensitivity analysis of non‐local damage in soft biological tissues
Authors: Zuo Di , Avril Stéphane , Ran Chunjiang , Yang Haitian , Mousavi S. Jamaleddin , Hackl Klaus , He Yiqian 
Published: December 2020

AbstractComputational modeling can provide insight into understanding the damage mechanisms of soft biological tissues. Our gradient‐enhanced damage model presented in a previous publication has shown advantages in considering the internal length scales and in satisfying mesh independence for simulating damage, growth and remodeling processes. Performing sensitivity analyses for this model is an essential step towards applications involving uncertain patient‐specific data. In this paper, a numerical analysis approach is developed. For that we integrate two existing methods, that is, the gradient‐enhanced damage model and the surrogate model‐based probability analysis. To increase the computational efficiency of the Monte Carlo method in uncertainty propagation for the nonlinear hyperelastic damage analysis, the surrogate model based on Legendre polynomial series is employed to replace the direct FEM solutions, and the sparse grid collocation method (SGCM) is adopted for setting the collocation points to further reduce the computational cost in training the surrogate model. The effectiveness of the proposed approach is illustrated by two numerical examples, including an application of artery dilatation mimicking to the clinical problem of balloon angioplasty.
GHub: Building a glaciology gateway to unify a community
Authors: Sperhac Jeanette M. , Poinar Kristin , Jones‐Ivey Renette , Briner Jason , Csatho Beata , Nowicki Sophie , Simon Erika , Larour Eric , Quinn Justin , Patra Abani 
Published: December 2020

AbstractThere is no consensus on how quickly the earth's ice sheets are melting due to global warming, nor on the ramifications to sea level rise. Due to its potential effects on coastal populations and global economies, sea level rise is a grave concern, making ice melt rates an important area of study. The ice‐sheet science community consists of two groups that perform related but distinct kinds of research: a data community, and a model building community. The data community characterizes past and current states of the ice sheets by assembling data from field and satellite observations. The modeling community forecasts the rate of ice‐sheet decline with computational models validated against observations. Although observational data and models depend on one another, these two groups are not well integrated. Better coordination between data collection efforts and modeling efforts is imperative if we are to improve our understanding of ice sheet loss rates. We present a new science gateway, GHub, a collaboration space for ice sheet scientists. This web‐accessible gateway will host datasets and modeling workflows, and provide access to codes that enable tool building by the ice sheet science community. Using GHub, we will collect and centralize existing datasets, creating data products that more completely catalog the ice sheets of Greenland and Antarctica. We will build workflows for model validation and uncertainty quantification, extending existing ice sheet models. Finally, we will host existing community codes, enabling scientists to build new tools utilizing them. With this new cyberinfrastructure, ice sheet scientists will gain integrated tools to quantify the rate and extent of sea level rise, benefitting human societies around the globe.
Coprecipitation Temperature Effects of Morphology‐Controlled Nickel Hexacyanoferrate on the Electrochemical Performance in Aqueous Sodium‐Ion Batteries
Authors: Park Sungjun , Kim Jihwan , Yi Seong‐Hoon , Chun Sang‐Eun 
Published: December 2020

AbstractCoprecipitation effortlessly fabricated nickel hexacyanoferrate (NiHCF) with outstanding rate capability and stability for aqueous batteries. Citrate‐aided coprecipitation decelerated the crystallization, assembling cubic‐shaped powder based on separation between nucleation and growth. This study revealed that coprecipitation temperature determined the electrochemical performance. With lower temperatures, smaller particles with more water were formed by predominant nucleation, resulting in low crystallinity and capacity of 58 mAh g−1. Expanded surface area reduced electrode/electrolyte interface charge‐transfer resistance and showed excellent rate capability (79 % of initial capacity at 100 C‐rate). However, poor cyclability was obtained. At elevated temperatures, nuclei growth and dehydration occurred, and thus highly crystalline large particles were formed. In turn, NiHCF delivered excellent capacity of 76 mAh g−1 at 1 C‐rate but exhibited inferior rate performance because of longer diffusional path. Meanwhile, normal coprecipitation at 70 °C induced irregular‐shaped tiny particles, presenting 93 % retention of initial capacity at 100 C‐rate.
Practical application of microsphere samples for benchmarking a quantitative phase imaging system
Authors: Kwee Edward , Peterson Alexander , Halter Michael , Elliott John 
Published: December 2020

AbstractQuantitative phase imaging (QPI) provides an approach for monitoring the dry mass of individual cells by measuring the optical pathlength of visible light as it passes through cells. A distinct advantage of QPI is that the measurements result in optical path length quantities that are, in principle, instrument independent. Reference materials that induce a well‐defined optical pathlength shift and are compatible with QPI imaging systems will be valuable in assuring the accuracy of such measurements on different instruments. In this study, we evaluate seven combinations of microspheres embedded in index refraction matching media as candidate reference materials for benchmarking the performance of a QPI system and as calibration standards for the optical pathlength measurement. Poly(methyl metharylate) microspheres and mineral oil were used to evaluate the range of illumination apertures, signal‐to‐noise ratios, and focus positions that allow an accurate quantitative optical pathlength measurement. The microsphere‐based reference material can be used to verify settings on an instrument that are suitable for obtaining an accurate pathlength measurement from biological cells. The microsphere/media reference material is applied to QPI‐based dry mass measurements of a population of HEK293 cells to benchmark and provide evidence that the QPI image data are accurate.
Adaptation and validation of the Eating Disorder Examination‐Questionnaire in English among urban Indian adolescents
Authors: Lewis‐Smith Helena , Garbett Kirsty M. , Chaudhry Anshula , Uglik‐Marucha Nora , Vitoratou Silia , Dhillon Megha , Shroff Hemal , Diedrichs Phillippa C. 
Published: December 2020

AbstractObjectiveEating pathology is a salient issue in India, with clinical features reported among adults and adolescents. However, there are currently no validated measures of disordered eating in the Indian context. The present study therefore aimed to validate a culturally appropriate English language version of the Eating Disorder Examination Questionnaire (EDE‐Q), a widely used measure, among adolescents in India.MethodWe adapted and examined the factor structure, reliability, and construct validity of the EDE‐Q among an urban sample of 1,413 Indian adolescents (mean age = 13 years; 45% girls).ResultsIn contrast to the original four‐factor model, exploratory factor analysis identified a two‐factor solution for girls and boys, which was verified by confirmatory factor analysis; a “Preoccupation and Control” subscale and a “Weight and Shape Concerns” subscale. The total scale comprised 15 items for girls and 18 items for boys. Test–retest reliability and internal consistency were satisfactory for the girls' and boys' scales (Cronbach's α = .91 for both) and their comprising subscales (αs ≥ .80). Concurrent validity was established through medium‐high significant correlations with measures of body image and internalization of appearance ideals. Combining items common to both versions of the scale led to a psychometrically acceptable model which was largely invariant across both genders, thus facilitating gendered comparison.DiscussionFindings indicate the reliability and validity of the EDE‐Q among English‐speaking urban Indian adolescents. This will facilitate further research examining the prevalence and nature of eating pathology among adolescents in India.
Accuracy improvement of terminal voltage self‐coupled laser distance sensor
Authors: Ohba Tatsuya , Mizushima Daisuke , Goshima Keishiro , Tsuda Norio , Yamada Jun 
Published: December 2020

AbstractMeasurements performed using the self‐coupling effect of a semiconductor laser utilize an external resonator by exploiting the reflected light from the surface of an object. The improvement of the measurement accuracy due to the use of self‐coupled signals acquired from terminal voltages has not been thoroughly investigated. The current that flows through a semiconductor laser is adjusted so that its wavelength changes at a specific rate when it is modulated using an arbitrary waveform. As such, the spread of the self‐coupled signal is suppressed, and precision is improved. In addition, the accuracy is improved by considering the influence of lenses on the optical path.
Neurosteroid involvement in threatened preterm labour
Authors: Turkmen Sahruh , Bäckström Torbjörn , Kangas Flodin Yvonne , Bixo Marie 
Published: December 2020

AbstractIntroductionThe neurosteroid allopregnanolone modulates oxytocin expression in the brain, and its effects arise from its action on the GABAA receptor. Whether neurosteroid levels and the function of the GABAA receptor are involved in the risk of preterm labour in pregnant women is unknown.MethodsPregnant women with (n = 16) or without (n = 20) threatened preterm labour (TPL) in gestational week 33 + 6 days to 37 + 0 days were studied prospectively with procedures including foetal heart rate monitoring, vaginal examination, ultrasound examination and blood tests to determine allopregnanolone, progesterone and oxytocin levels. The GABAA receptor function in both groups was measured with a saccadic eye velocity test (SEVT).ResultsPlasma oxytocin levels were higher in the TPL group than in the control group (41.5 vs. 37.0 pmol/L, respectively, p = .021). Although the allopregnanolone and progesterone levels in both groups did not differ, there was a negative association between blood oxytocin and allopregnanolone (as predictor) levels in the TPL group (B: −3.2, 95% confidence interval (CI): −5.5 to −0.9, p = .012). As a predictor of TPL, progesterone was associated with cervix maturity (odds ratio: 1.02, 95% CI: 1.00–1.04, p = .038). SEVT showed that the women in both groups had similar GABAA receptor functions. In both groups, body mass index correlated with peak saccadic eye velocity (r = .34, p = .044) and negatively with allopregnanolone (r = −.41, p = .013).ConclusionsNeurosteroid levels were unchanged in the peripheral blood of women with TPL, despite the increase in available oxytocin. Although the function of the GABAA receptor was unchanged in women with TPL, to ensure reliable results, saccadic eye velocity should be investigated during a challenge test with a GABAA receptor agonist.
Fabrication and evaluation of suspended Micro‐heater using TiN
Authors: Ito Hiroshi , Kawamata Yoshio , Nikkuni Hiroyuki 
Published: December 2020

AbstractIn this study, suspended micro‐heater using TiN for decreasing power dissipation was fabricated and evaluated. The self‐supporting film of the suspended filament was developed by the low compressive stress SiO2 film deposited by the dc reactive sputtering method with rf substrate bias and the post annealing at 900°C. In the suspended structure process, single photolithography process and two wet etching process of HF and KOH solution were used. The power dissipation of the suspended heaters was obtained about 70 mW and it is indicated that the power dissipation is able to reduce than the other structure in previous research. Then, it is expected that the TiN micro‐heater using suspended structure is applicable to several MEMS sensors.
Rationale and methods of a randomized trial evaluating the effect of neprilysin inhibition on left ventricular remodelling
Authors: Docherty Kieran F. , Campbell Ross T. , Brooksbank Katriona J.M. , Godeseth Rosemary L. , Forsyth Paul , McConnachie Alex , Roditi Giles , Stanley Bethany , Welsh Paul , Jhund Pardeep S. , Petrie Mark C. , McMurray John J.V. 
Published: December 2020

AbstractAimsIn patients at high risk of heart failure following myocardial infarction (MI) as a result of residual left ventricular systolic dysfunction (LVSD), the angiotensin receptor neprilysin inhibitor sacubitril/valsartan may result in a greater attenuation of adverse left ventricular (LV) remodelling than renin angiotensin aldosterone system inhibition alone, due to increased levels of substrates for neprilysin with vasodilatory, anti‐hypertrophic, anti‐fibrotic, and sympatholytic effects.MethodsWe designed a randomized, double‐blinded, active‐comparator trial to examine the effect of sacubitril/valsartan to the current standard of care in reducing adverse LV remodelling in patients with asymptomatic LVSD following MI. Eligible patients were ≥3 months following MI, had an LV ejection fraction ≤40% as measured by echocardiography, were New York Heart Association functional classification I, tolerant of an angiotensin‐converting enzyme inhibitor or angiotensin receptor blocker at equivalent dose of ramipril 2.5 mg twice daily or greater, and taking a beta‐blocker unless contraindicated or intolerant. Patients were randomized to sacubitril/valsartan (target dose 97/103 mg twice daily) or valsartan (target dose 160 mg twice daily). The primary endpoint will be change in LV end‐systolic volume indexed for body surface area measured using cardiac magnetic resonance imaging over 52 weeks from randomization. Secondary endpoints include other magnetic resonance imaging‐based metrics of LV remodelling, biomarkers associated with LV remodelling and neurohumoral activation, and change in patient well‐being assessed using a patient global assessment questionnaire.ConclusionsThis trial will investigate the effect of neprilysin inhibition on LV remodelling and the neurohumoral actions of sacubitril/valsartan in patients with asymptomatic LVSD following MI.
Impact of catheter ablation for atrial fibrillation on cardiac disorders in patients with coexisting heart failure
Authors: Kawaji Tetsuma , Shizuta Satoshi , Aizawa Takanori , Yamagami Shintaro , Kato Masashi , Yokomatsu Takafumi , Miki Shinji , Ono Koh , Kimura Takeshi 
Published: December 2020

AbstractAimsWe sought to investigate the time course of cardiac disorders after catheter ablation for atrial fibrillation (AF) in patients with coexisting heart failure (HF) during long‐term follow‐up.Methods and resultsWe analysed consecutive 280 patients undergoing first‐time catheter ablation for AF who had coexisting HF, which was defined as prior HF hospitalization, estimated right ventricular systolic pressure ≥45 mmHg, or B‐type natriuretic peptide (BNP) ≥200 pg/dL before the procedure. The primary endpoints were improvements in left ventricular ejection fraction (LVEF), E/e′, BNP, left atrial dimension (LAD), and mitral regurgitation (MR) at 1 year. The secondary endpoints were serial changes of LVEF, E/e′, BNP, LAD, and MR at 6 months, 1 year, and 5 years and cumulative incidence of HF hospitalization. During the mean follow‐up of 5.1 ± 3.0 years, 70.7% of patients were free from recurrent AF. Among patients with LVEF < 50%, E/e′ ≥ 15, BNP ≥ 200 pg/dL, LAD ≥ 40 mm, and moderate‐to‐severe MR, changes in those parameters from baseline to 1 year were 34.5 ± 9.9% to 43.2 ± 14.4% (P < 0.001), 19.7 ± 3.9 to 12.5 ± 6.6 (P < 0.001), 290 to 85 pg/dL (P < 0.001), and 100% to 37.8% (P < 0.001), respectively. The improvements in the cardiac disorders were maintained up to 5 years except for E/e′. In patients with LVEF < 40%, significant delayed improvement of LVEF beyond 1 year was observed (ΔLVEF = 10.5 ± 18.5, P = 0.001), but not in patients with LVEF of 40–49%. The cumulative incidence of HF hospitalization was 12.6% at 5 years. Baseline diastolic dysfunction was the only independent predictor for subsequent HF hospitalization.ConclusionsIn patients undergoing AF ablation with coexisting HF, all cardiac disorders significantly improved after the procedure, which was mostly maintained during 5 year follow‐up.
Effect of everolimus‐based drug regimens on CMV‐specific T‐cell functionality after renal transplantation: 12‐month ATHENA subcohort‐study results
Authors: Hauser Ingeborg A. , Marx Stefanie , Sommerer Claudia , Suwelack Barbara , Dragun Duska , Witzke Oliver , Lehner Frank , Schiedel Christiane , Porstner Martina , Thaiss Friedrich , Neudörfl Christine , Falk Christine S. , Nashan Björn , Sester Martina 
Published: December 2020

AbstractPost‐transplant cytomegalovirus (CMV) infections and increased viral replication are associated with CMV‐specific T‐cell anergy. In the ATHENA‐study, de‐novo everolimus (EVR) with reduced‐exposure tacrolimus (TAC) or cyclosporine (CyA) showed significant benefit in preventing CMV infections in renal transplant recipients as compared to standard TAC + mycophenolic acid (MPA). However, immunomodulatory mechanisms for this effect remain largely unknown. Ninety patients from the ATHENA‐study completing the 12‐month visit on‐treatment (EVR + TAC n = 28; EVR + CyA n = 19; MPA + TAC n = 43) were included in a posthoc analysis. Total lymphocyte subpopulations were quantified. CMV‐specific CD4 T cells were determined after stimulation with CMV‐antigen, and cytokine‐profiles and various T‐cell anergy markers were analyzed using flow cytometry. While 25.6% of MPA + TAC‐treated patients had CMV‐infections, no such events were reported in EVR‐treated patients. Absolute numbers of lymphocyte subpopulations were comparable between arms, whereas the percentage of regulatory T cells was significantly higher with EVR + CyA versus MPA + TAC (p = 0.019). Despite similar percentages of CMV‐specific T cells, their median expression of CTLA‐4 and PD‐1 was lower with EVR + TAC (p < 0.05 for both) or EVR + CyA (p = 0.045 for CTLA‐4) compared with MPA + TAC. Moreover, mean percentages of multifunctional CMV‐specific T cells were higher with EVR + TAC (27.2%) and EVR + CyA (29.4%) than with MPA + TAC (19.0%). In conclusion, EVR‐treated patients retained CMV‐specific T‐cell functionality, which may contribute to enhanced protection against CMV infections.