bluuebunny/crossref_metadata_2025_split huggingface dataset:
Geostatistical Mapping of Folded Itabiritic Rocks of the Bonito Mine, Northeastern Brazil
Authors: Fonteles Helano , Veríssimo César Ulisses 
Published: July 2022

Geological modeling is the primary task of any exploratory geological investigation, and it is performed even during the mine development. In the study area, the Serra dos Quintos Formation hosts banded iron formations represented by assorted itabirites. The database used in this work was exploited from a geological databank which was structured to gather data and information depicted from an exhaustive exploratory drilling program. A survey was performed throughout the entire databank to collect the available thickness data values (measured in meters) from drill core logs that intersected the itabirite. Since structural heterogeneities can occur within these rocks, this study aims to identify such features. Geostatistical estimation and simulation methods were employed to map folded itabiritic beds based on thickness data accurately. Kriging estimators are often used for practical reasons; however, sometimes, the estimates can be smoothed and do not represent the entire original data range. Simulation algorithms can yield several stochastic images, but local accuracy cannot always be guaranteed. Simulated annealing was performed by adjusting the global statistics and preserving the local accuracy. We demonstrated that the banded iron formations’ thicker areas might correspond to the antiform fold as the dominant tectonic feature in the study area. Finally, we show that the simulated thickness map discloses the thicker mineralized spots. Meanwhile, the thinner ones may unveil intrinsic structural heterogeneities mainly observed at the limbs of the Bonito fold, where intensive deformation within the itabiritic layer was higher than expected. Concerning the mining issues, information obtained from the simulated thickness map could provide ancillary data to improve mining planning in the study area.
Estrogenic Activity and Endocrine Disruptor Compounds Determined in Guanabara Bay (Brazil) by Yeast Estrogen Screen Assays and Chemical Analyses
Authors: Nascimento Marilia Teresa Lima do , Santos Ana Dalva De Oliveira , Cunha Danieli Lima da , Felix Louise Cruz , Gomes Giselle , Hauser-Davis Rachel Ann , Fonseca Estefan Monteiro da , Bila Daniele Maia , Baptista Neto José Antônio 
Published: July 2022

Studies assessing the presence of endocrine disrupting compounds in marine environments have increased in the last decades. In Brazil, the combination of poor sanitation conditions and low investment in sewage treatment plants leads to significant contamination of receiving waters. The risks of these micropollutants in the aquatic biota include biochemical and histopathological alterations of the liver, gonads, and kidneys, as well as, reproductive process and development modifications, and behavioral changes, among others. The aim of this study was to evaluate the quality of the surface and deep waters of Guanabara Bay, southeastern Brazil, regarding the presence of estrogenic substances. Acute toxicity assays were also conducted employing Vibrio fischeri. The estrogenic activity of the water samples was determined by Yeast Estrogen Screen assay and the quantification of the Bisphenol A, estriol, 17β-estradiol, and 17α-ethinylestradiol by high-performance liquid chromatography, using fluorescence and diode array detectors. Estrogenic activity ranged from 9 to 77 ng L-1 of estradiol equivalents. The highest micropollutants concentrations were detected for bisphenol A (298.5 and 465.5 ng L-1), followed by 17α-ethinylestradiol (248 and 256.9 ng L-1), estriol (70.7 and 179.6 ng L-1), and 17β-estradiol (167 and 174.8 ng L-1) for surface and deep waters, respectively. The findings indicate significant risks for the Guanabara Bay ecosystem. No acute toxicity effects were observed in the V. fisheri assay. These data reflect the current environmental degradation situation of the bay’s waters and highlight the need for the systematic monitoring of this important estuary.
Effect of Slp4-a on Membrane Bending During Prefusion of Vesicles in Blood-Brain Barrier
Authors: Van Dinh Quyen , Liu Jin , Dutta Prashanta 
Published: July 2022

Abstract
Vesicle exocytosis is a promising pathway for brain drug delivery through the blood-brain barrier to treat neurodegenerative diseases. In vesicle exocytosis, the membrane fusion process is initiated by the calcium sensor protein named synaptotagmin-like protein4-a (Slp4-a). Understanding conformational changes of Slp4-a during the prefusion stage of exocytosis will help to develop vesicle-based drug delivery to the brain. In this work, we use molecular dynamics (MD) simulations with a hybrid force field coupling united-atom protein model with MARTINI coarse-grained (CG) solvent to capture the conformational changes of Slp4-a during the prefusion stage. These hybrid coarse-grained simulations are more efficient than all-atom MD simulations and can capture protein interactions and conformational changes. Our simulation results show that the calcium ions play critical roles during the prefusion stage. Only one calcium ion can remain in each calcium-binding pocket of Slp4-a C2 domains. The C2B domain of calcium-unbound Slp4-a remains parallel to the endothelial membrane, while the C2B domain of calcium-bound Slp4-a rotates perpendicular to the endothelial membrane to approach the vesicular membrane. For the calcium-bound case, three Slp4-a proteins can effectively bend lipid membranes at the prefusion stage, which could later trigger lipid stalk between membranes. This work provides a better understanding how C2 domains of Slp4-a operate during vesicle exocytosis from an endothelial cell.
Effects of Soret and Dufour Numbers on the Three-Dimensional MHD Flow of Micropolar Fluid Containing Gyrotactic Microorganisms Over a Bidirectional Stretching Sheet With Cattaneo–Christov Heat and Mass Flux Model
Authors: Ramzan Muhammad , Alduais Fuad S. , Dawar Abdullah , Saeed Anwar , Kumam Poom , Watthayu Wiboonsak 
Published: July 2022

Abstract
Stretching flow problems have several real-world applications in engineering, biological, and industrial fields. The real-world applications of the stretching sheet flow problems are continuous cooling of fiber, manufacturing of rubber and plastics sheets, metal-working processes, crystal growth processes, drawing of the filaments through a quiescent fluid, and consideration of the liquid's films and many others. The present problem focuses on the study of heat and mass transmission phenomena of the magnetohydrodynamics flow of three-dimensional micropolar liquid over a bidirectional stretching surface. In the current analysis, the heat and mass transport mechanism are demonstrated by incorporating the Cattaneo–Christov heat and mass flux model. The micro-organisms are only used to stabilize suspended nanoparticles via bioconvection, which is caused by the combination of magnetic field and a buoyancy force. The current model is demonstrated in the system of higher order partial differential equations (PDEs), which are changed into nonlinear ordinary differential equations (ODEs) by the exploitation of appropriate similarity variables. For the analytical solution, the resulting nonlinear ODEs are simulated by employing the homotopy analysis scheme. The physical significance of velocities, microrotation, temperature, concentration, and micro-organism profiles of the fluid via various embedded parameters are calculated and discussed in a graphical form. The Nusselt number, Sherwood number and micro-organism density number are calculated via tables. Some major findings of the current problem are that the Nusselt number is weakened for the boosted estimation of radiation and thermal relaxation time parameter. The bioconvection Lewis number raised the micro-organism density number. The nanofluid microrotation profile is boosted with the augmentation of the microrotation parameter. The temperature of nanoliquid is lower for thermal relaxation time parameter and nanofluid concentration is lower the for solutal relaxation time parameter.
Performance and Sensitivity Analysis of an Automated X-Ray Based Total Knee Replacement Mass-Customization Pipeline
Authors: Burge Thomas A. , Jeffers Jonathan R. T. , Myant Connor W. 
Published: July 2022

Abstract
The objective of this study was to outline a fully automated, X-ray-based, mass-customization pipeline for knee replacement surgery, thoroughly evaluate its robustness across a range of demographics, and quantify necessary input requirements. The pipeline developed uses various machine learning-based methods to enable the automated workflow. Convolutional neural networks initially extract information from inputted bi-planar X-rays, point depth and statistical shape models are used to reconstruct three-dimensional models of the subjects' anatomy, and finally computer-aided design scripts are employed to generate customized implant designs. The pipeline was tested on a range of subjects using three different fit metrics to evaluate performance. A digitally reconstructed radiograph method was adopted to enable a sensitivity analysis of input X-ray alignment and calibration. Subject sex, height, age, and knee side were concluded not to significantly impact performance. The pipeline was found to be sensitive to subject ethnicity, but this was likely due to limited diversity in the training data. Arthritis severity was also found to impact performance, suggesting further work is required to confirm suitability for use with more severe cases. X-ray alignment and dimensional calibration were highlighted as paramount to achieve accurate results. Consequentially, an alignment accuracy of ±5–10 deg and dimensional calibration accuracy of ±2–5%, are stipulated. In summary, the study demonstrated the pipeline's robustness and suitability for a broad range of subjects. The tool could afford substantial advantages over off-the-shelf and other customization solutions, but practical implications such as regulatory requirements need to be further considered.
Targeted Model Error Determination for Limit Load Formulas for Axial Surface Defect in a Pressurized Pipe
Authors: Orynyak Igor , Marchenko Vladyslav , Mazuryk Roman , Oryniak Andrii 
Published: July 2022

Abstract
There are dozens of formulas in literature and standards for residual strength calculation of the pressurized ductile pipes with axial rectangular defect. Their accuracy is usually characterized by the so-called “model error” notion. The latter is established as the averaged deviance of experimental data from the calculated results. In fact, the model error determined in such way is partly related to the validity and range of the chosen experimental data. The idea of our work is to introduce the notion of “targeted model error.” It is expected to characterize the accuracy of given formula for the particular defect only with given ratio of its dimensions, which is named as the “point of interest.” So, every experiment can give the contribution to the targeted model error according to its weight on the point of interest. These weights are subjectively established based on the difference between the dimensionless residual strengths calculated for the point of interest and for the real defect dimensions of the considered experiment. Practical examples of determination of the targeted model errors are performed for the ratios of the defect depth to wall thickness equal to 0.5, 0.6, 0.7, and 0.8 for three well-known formulas—ASME, PCORRC, and O-formula.
Pearson Correlation and Chi-Squared Methods Applied to the Sensitivity and Uncertainty Analysis of Hydrogen Generation During a Boiling Water Reactor STSBO Using MAAP5 and AZTUSIA
Authors: Ortiz-Villafuerte Javier , Sánchez-Mora Heriberto , Queral César , Reyes-Fuentes Melisa , Valle-Gallegos Edmundo del- 
Published: July 2022

Abstract
After the nuclear accident at the Fukushima Daiichi nuclear power plant, hydrogen generation has resurfaced as a key issue, with respect to its quantification in the simulation of severe accidents (SAs), because of the potential risk of deflagration or detonation, which would compromise the integrity of the plant facilities. Severe accident simulation codes may have different models to predict cladding oxidation rates and the consequent hydrogen generation. Thus, sensitivity and uncertainty analysis can be applied to determine which input variables of the code have a significant impact in the implemented models, and consequently on the overall predicted values of key figures of merit. In this work, the generation of hydrogen in the reactor core during a short-term station blackout (STSBO) is studied as a figure of merit for a boiling water reactor (BWR). The scope of the analysis is until the failure of the reactor pressure vessel (RPV). This study shows a sensitivity and uncertainty analysis through the complementary calculations of two methods: Chi-squared parameter and Pearson simple correlation coefficient (PSCC). The severe accident simulation code was MAAP 5.0.3 (Modular Accident Analysis Program, EPRI, USA) and the AZTUSIA code (AZtlan Tool for Uncertainty and SensItivity Analysis, Mexico) was used as the statistical tool for the sensitivity and uncertainty analysis. Ten uncertain parameters were chosen, of which two are MAAP models options, and the values were generated via the simple random Monte Carlo technique. The results show that the Chi-squared parameter in conjunction with correlation coefficients provides a more comprehensive understanding of the impact of both quantitative and qualitative input variables on the figures of merit.
Safety and effectiveness of the fluocinolone acetonide intravitreal implant (ILUVIEN): 3-year results from the European IRISS registry study
Authors: Khoramnia Ramin , Peto Tunde , Koch Frank , Taylor Simon R , Castro de Sousa João Paulo , Hill Lauren , Bailey Clare , Chakravarthy Usha 
Published: July 2022

BackgroundThe ILUVIEN Registry Safety Study was a multicentre, open-label, non-randomised, observational, phase 4 study designed to assess the safety and effectiveness of the fluocinolone acetonide (FAc) implant in all indications in real-world practices in Europe.MethodsThe study included data collected prospectively and retrospectively. Patients receiving FAc implants between 2013 and 2017 were included and monitored until the last patient reached ≥3 years of follow-up. Mean intraocular pressure (IOP) data over the course of the study, along with IOP events, use of IOP-lowering therapy, mean change in visual acuity (VA) and information on supplemental therapy use were analysed post-FAc implantation.ResultsSix hundred and ninety-five eyes from 556 patients, with a mean±SD follow-up of 1150.5±357.36 days, were treated with a FAc implant. 96.7% of eyes had chronic diabetic macular oedema (cDMO). IOP lowering was achieved in 34.5% of eyes using topical agents and 4.3% by surgery. Seventy-three eyes (64.6% of 113 phakic) required cataract surgery during follow-up. Mean VA increased from a baseline of 52.2 letters to 57.1 letters at month 36, with improvement observed up to month 48. Supplementary therapies were given in 43.7% of eyes. When classified by length of cDMO less than or greater than the median duration those with a shorter history experienced greater VA gains than those with a longer history.ConclusionThis study confirms the favourable, long-term benefit-to-risk profile of the FAc implant in eyes with cDMO, with an additional benefit in patients when this therapy is administered earlier.
The economic burden of congenital Zika Syndrome in Brazil: an overview at 5 years and 10 years
Authors: Fernandes Silke , Pinto Marcia , Barros Letícia , Moreira Maria Elisabeth Lopes , de Araújo Thália Velho Barreto , Lyra Tereza Maciel , Valongueiro Sandra , Jofre-Bonet Mireia , Kuper Hannah 
Published: July 2022

BackgroundThe aim of this paper is to estimate the economic burden of children with congenital Zika Syndrome (CZS) in Brazil over 5–10 years.MethodsWe conducted a modelling study based on data collected in a case–control study in Brazil, including children with CZS (cases) and typically developing children (controls), born in 2015 and 2016. In total, 484 participants were recruited in two sites, Recife and Rio de Janeiro. Social and economic information was collected in a survey from the carers of cases and controls, and detailed healthcare utilisation was recorded for each child in the Rio de Janeiro cohort prospectively in a database. We used this information to estimate the cost per child with severe, moderate and no CZS and incremental cost per child with severe and moderate versus no CZS from a disaggregated societal perspective. These estimates were incorporated into an economic burden model to estimate the incremental burden of the CZS epidemic in Brazil over 5 years and 10 years.FindingsThe societal cost per child with severe CZS was US$50 523 to 10 years of age (born in 2015 and 2016), substantially higher than the costs for moderate CZS (US$29 283) and without CZS (US$12 331). The incremental economic burden of severe versus no CZS in Brazil over 10 years was US$69.4 million from the household and US$129.0 million from the government perspective. For moderate CZS, these figures amounted to US$204.1 million and US$86.6 million. Over 10 years, 97% of the total societal economic cost of severe CZS is borne by the government, but only 46% for moderate CZS.InterpretationThe economic burden of CZS is high at the household, provider and government levels. The compensatory government payments helped to alleviate some of the additional costs incurred by families with a child qualifying for the disability benefits, and could be scaled to include the children with moderate CZS.
Direct delivery of an investigational cell therapy in patients with Parkinson’s disease: an interim analysis of feasibility and safety of an open-label study using DBS-Plus clinical trial design
Authors: Quintero Jorge E , Slevin John T , Gurwell Julie A , McLouth Christopher J , El Khouli Riham , Chau Monica J , Guduru Zain , Gerhardt Greg A , van Horne Craig G 
Published: July 2022

ObjectiveTo evaluate the interim feasibility, safety and clinical measures data of direct delivery of regenerating peripheral nerve tissue (PNT) to the substantia nigra (SN) in participants with Parkinson’s disease (PD).MethodsEighteen (13 men/5 women) participants were unilaterally implanted with PNT to the SN, contralateral to the most affected side during the same surgery they were receiving deep brain stimulation (DBS) surgery. Autologous PNT was collected from the sural nerve. Participants were followed for safety and clinical outcomes for 2 years (including off-state Unified Parkinson’s Disease Rating Scale (UPDRS) Part III assessments) with study visits every 6 months.ResultsAll 18 participants scheduled to receive PNT implantation received targeted delivery to the SN in addition to their DBS. All subjects were discharged the following day except for two: post-op day 2; post-op day 3. The most common study-related adverse events were hypoaesthesia and hyperaesthesias to the lateral aspect of the foot and ankle of the biopsied nerve (6 of 18 participants experienced). Clinical measures did not identify any hastening of PD measures providing evidence of safety and tolerability. Off-state UPDRS Part III mean difference scores were reduced at 12 months compared with baseline (difference=−8.1, 95% CI −2.4 to −13.9 points, p=0.005). No complications involving dyskinesias were observed.ConclusionsTargeting the SN for direct delivery of PNT was feasible with no serious adverse events related to the study intervention. Interim clinical outcomes show promising results meriting continued examination of this investigational approach.Trial registration numberNCT02369003.
Evaluating the sensitivity and specificity of the UK and Dutch growth referral criteria in predicting the diagnosis of pathological short stature
Authors: White Gemma , Cosier Shakira , Andrews Afiya , Martin Lee , Willemsen Ruben , Savage Martin O , Storr Helen L 
Published: July 2022

ObjectiveThe aim of this observational study was to evaluate the UK and Dutch referral criteria for short stature to determine their sensitivity and specificity in predicting pathological short stature. Adherence to the recommended panel of investigations was also assessed.Study designRetrospective review of medical records to examine the auxological parameters, investigations and diagnosis of subjects referred to two paediatric endocrine clinics at the Royal London Children’s Hospital between 2016 and 2021. We analysed: height SD score (HtSDS), height SDS minus target height SDS (Ht-THSDS) and height deflection SDS (HtDefSDS). The UK referral criteria were HtSDS <−2.7, Ht-THSDS >2.0 and HtDefSDS >1.3. The Dutch referral criteria were HtSDS <−2.0, Ht-THSDS >1.6 and HtDefSDS >1.0.ResultsData were available for 143 subjects (72% males) with mean (range) age 8.7 years (0.5–19.9). HtSDS and Ht-THSDS were significantly lower in the pathological stature (n=66) versus the non-pathological stature (n=77) subjects (−2.67±0.82 vs −1.97±0.70; p<0.001 and −2.07±1.02 vs −1.06±0.99; p<0.001, respectively). The sensitivity and specificity to detect pathology was 41% and 83% for the UK criteria (HtSDS <−2.7) compared with 59% and 79% for the Dutch criteria (HtSDS <−2.0), 48% and 83% for UK criteria (Ht-THSDS <−2.0) compared with 74% and 72% for Dutch criteria (Ht-THSDS <−1.6) and 33% and 68% for UK criteria (HtDefSDS >1.3) compared with 44% and 63% for the Dutch criteria (HtDefSDS >1.0). On average, each patient had 88% of the recommended investigations, and 53% had all the recommended testing. New pathology was identified in 36% of subjects.ConclusionsIn isolation, the UK auxological referral thresholds have limited sensitivity and specificity for pathological short stature. The combination of HtSDS and Ht-THSDS improved the sensitivity of UK criteria to detect pathology from 41% to 68%. Attention to the child’s genetic height potential prior to referral can prevent unnecessary assessments.
Tobacco minimum packaging policy to reduce cigarillo use among young people: results of an experimental study
Authors: Mays Darren , Johnson Andrea C , Jeong Michelle , Ganz Ollie , Audrain-McGovern Janet , Strasser Andrew A , Delnevo Cristine D 
Published: July 2022

ObjectiveThe Food and Drug Administration has the authority to set a minimum for cigar pack size, a product feature linked to price. This study examined the effects of cigarillo package size and price on young adults’ smoking and purchase intentions.DesignYoung adults (n=1032) 18–30 years old who smoked cigarillos in the past 12 months completed an online 3×2 within-subjects experiment testing the effects of cigarillo pack size (1, 2, 5) and price (actual price, standardised price per stick) on intentions to purchase and smoke cigarillos. We modelled the main effects and interactions of pack size and price on intentions to buy and smoke cigarillos overall and by cigarillo use frequency.ResultsIntentions to buy and smoke were strongest for lower priced singles and two packs compared with higher priced five packs. Under standardised price conditions, participants preferred larger packs, but under actual pricing conditions smaller packs, especially two packs, were preferred. Participants who smoked cigarillos less than monthly were more likely to buy and smoke the least expensive products (buy: singles actual price adjusted OR (aOR)=4.51, 95% CI 3.76 to 5.42; two packs actual price aOR=9.76, 95% CI 8.11 to 11.75; five packs standardised price aOR=3.17, 95% CI 2.89 to 3.48) with the strongest preference for two packs and singles.ConclusionsYoung adult cigarillo smokers prefer smaller packs in conditions where pricing incentivises smaller packs. Minimum pack size policies may reduce the appeal of cigarillos among young adults, especially less frequent cigarillo smokers. Pack size policy should take into consideration price, and ideally these two factors should be addressed together.