bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Practical Prediction of LogPo/w through Semiempirical Electronic Structure Calculations with Dielectric Continuum Model
Authors: Takahashi Teruyuki , Matsui Toru , Hengphasatporn Kowit , Shigeta Yasuteru 
Published: May 2021

Abstract
We examined various combinations of semiempirical and polarizable continuum methods and found that SMD/PM7 provides the highest accuracy in calculating LogPo/w. The correlation between the experimental and calculated LogPo/w is approximately R2 = 0.74. However, this result is not sufficiently accurate for achieving a practical prediction. To clarify the details of the calculation results, a linear fitting was conducted for each functional group and each atom. The results showed a large variation, indicating a large error. We then conducted a multiple regression analysis using the number of atoms in the molecule, the number of multiple bonds, the ring structure, and the indicator for aromatic nature as explanatory variables and the experimental value of LogPo/w as the objective variable; finally, we incorporated a correction to the calculated value of LogPo/w. We showed that the accuracy was significantly improved to approximately R2 = 0.95 when adopting the difference in solvation energy, along with four additional explanatory variables.
Direct Sampling Graphite Furnace Atomic Absorption Spectrometry — A Suitable Tool for the Determination of Metallic Contaminants in Pitch
Authors: Frohlich Angelica C , Pereira Leticia S F , Junges Andrizia F , Flores Erico M M , Paniz Jose N G , Duarte Fabio A 
Published: May 2021

Abstract
Considering the widespread use of pitch as a carbon source for manufacturing of carbon related materials, a method for the determination of Co, Cr, Cu, Mn and Ni in pitch by direct sampling graphite furnace atomic absorption spectrometry (DS-GF AAS) was proposed. The pyrolysis and atomization curves for reference solution and solid sample were evaluated. The influence of sample mass, the use of chemical modifier and the linear calibration range for each analyte were also evaluated. As advantages, the calibration with aqueous reference solutions was feasible for all the analytes and it was possible to use a relatively large sample mass, up to 3 mg directly introduced into the graphite tube. The results obtained by DS-GF AAS were compared with those from analytes determination by inductively coupled plasma mass spectrometry after pitch digestion by microwave-induced combustion and no statistical differences (Student’s t-test) were observed. The proposed method showed some advantages such as the minimum sample handling (only milling), the use of aqueous reference solutions for calibration and contrary to most work using GF AAS, Pd has been evaluated with no chemical modifier required, making the proposed method a suitable alternative for the quality control of pitch.
Construction of CF3-Containing Quaternary Chiral Centers via Michael Addition Reactions
Authors: Yamazaki Takashi , Taketsugi Masahito , Kawasaki-Takasuka Tomoko , Agou Tomohiro , Kubota Toshio 
Published: May 2021

Abstract
Michael addition reactions of a variety of Grignard reagents to 4,4,4-trifluorinated α,β-unsaturated carboxylic acid derivatives with 4-substituted oxazolidin-2-ones as a chiral auxiliary were found to occur smoothly in the presence of CuBr·SMe2 and TMSCl to construct the desired products with the quaternary stereocenters possessing a CF3 group in good to excellent yields.
Improvement of a Pb2Ti2O5.4F1.2 Photoanode for Solar Water Splitting by Refining the Cocatalyst and Electrolyte
Authors: Maeda Kazuhiko , Hirayama Naoki , Nakata Hiroko , Oka Kengo 
Published: May 2021

Abstract
Photoanode materials that are active and stable for visible-light water oxidation benefit the development of artificial photosynthesis schemes, including overall water splitting and CO2/N2 fixation. The pyrochlore-structured oxyfluoride Pb2Ti2O5.4F1.2 is an n-type semiconductor with a bandgap of 2.4 eV; it has been used as a photoanode for water oxidation. In this work, cocatalysts and electrolytes that efficiently promote photoelectrochemical water oxidation on Pb2Ti2O5.4F1.2 were investigated in an aqueous solution at pH ∼9. Among the investigated transition-metal cocatalysts, cobalt phosphate (CoPi) was found to result in the best performance. The performance of the CoPi-modified Pb2Ti2O5.4F1.2 electrode toward the photoelectrochemical oxidation of water depended on the electrolyte used. As a general trend, proton-accepting electrolytes such as tetraborate, phosphate, and bicarbonate led to higher performance. The highest photoanodic current was obtained under simulated sunlight irradiation (AM1.5G, 100 mW cm−2), accompanied by O2 evolution with a Faradaic efficiency close to unity, when potassium tetraborate was used as the electrolyte.
Cardiovascular Endurance Modifies the Link between Subjective Sleep Quality and Entorhinal Cortex Thickness in Younger Adults
Authors: WON JUNYEON , ALFINI ALFONSO J. , SMITH J. CARSON 
Published: May 2021

ABSTRACT

Introduction
Poor sleep is linked to impaired cognitive function, cortical brain atrophy, and lower cortical thickness. Independently, higher cardiovascular endurance has neuroprotective effects. It remains in question, however, whether cardiovascular endurance moderates the relationship between sleep and brain health. The aims of this study included the following: 1) the association between subjective sleep quality and cognitive performance, hippocampus volume, and entorhinal cortex (EC) thickness, and 2) the moderating effects of cardiovascular endurance on the associations of sleep quality with cognitive and magnetic resonance imaging measures in healthy younger adults.

Methods
A total of 1095 younger adults (28.8 ± 3.6 yr) from the Human Connectome Project were included in the analyses. The 2-min walk test was used as a proxy of cardiovascular endurance. Self-reported sleep quality was measured using the Pittsburgh Sleep Quality Index. Composite cognitive tests were used to assess global cognition, and T1-weighted structural magnetic resonance imaging data (obtained using Siemens 3T scanner) was used to assess hippocampus volume and EC thickness. Linear regression was used to examine the moderating effects of fitness on the relationships between sleep and each of these neurocognitive outcomes after controlling for age, sex, and education year.

Results
Poorer sleep quality was associated with both a lower crystalized intelligence score (B = −0.198, P = 0.034) and lower EC thickness (B = −0.013, P = 0.003). With greater 2-min walk test score, the association between greater Pittsburgh Sleep Quality Index score and lower EC thickness was attenuated (B = 0.0008, P = 0.028).

Conclusions
Higher cardiovascular endurance may mitigate the relationship between poorer subjective sleep quality and lower EC thickness. Future longitudinal studies should examine the interactive effects of sleep and fitness on brain health among older and more vulnerable populations.
T2*-weighted MRI produces viable fetal “Black-Bone” contrast with significant benefits when compared to current sequences
Authors: Goodall Alex Francis , Barrett Alex , Whitby Elspeth , Fry Andrew 
Published: May 2021

Objectives:
Fetal “black bone” MRI could be useful in the diagnosis of various skeletal conditions during pregnancy without exposure to ionizing radiation. Previously suggested susceptibility-weighted imaging (SWI) is not available in the suggested form on all scanners leading to long imaging times that are susceptible to motion artefacts. We aimed to assess if an optimized T2*-weighted GRE sequence can provide viable “black bone” contrast and compared it to other sequences in the literature.

Methods:
A retrospective study was conducted on 17 patients who underwent fetal MRI. Patients were imaged with an optimized T2*-weighted GRE sequence, as well as at least one other “black-bone” sequence. Image quality was scored by four blinded observers on a five-point scale.

Results:
The T2*-weighted GRE sequence offered adequate to excellent image quality in 63% of cases and scored consistently higher than the three other comparison sequences when comparing images from the same patient. Image quality was found to be dependent on gestational age with good image quality achieved on almost all patients after 26 weeks.

Conclusions:
T2*-weighted GRE imaging can provide adequate fetal “black bone” contrast and performs at least as well as other sequences in the literature due to good bone to soft tissue contrast and minimal motion artefacts.

Advances in knowledge:
T2*-weighted fetal “black-bone” imaging can provide excellent bone to soft tissue contrast without using ionizing radiation. It is as good as other “black bone” sequences and may be simpler and more widely implemented, with less motion artefacts.
An assessment of radiation use, knowledge and concerns in trainee cardiologists in Ireland
Authors: Brandon Lisa , Keane David 
Published: May 2021

Objective To evaluate knowledge, routine use and concerns of trainee cardiologists in the Republic of Ireland regarding radiation use in the cardiac catheterization laboratory. Methods We handed out a Radiation Questionnaire to cardiology trainees in February 2020 at the Irish Cardiac Society “Spring Meeting”. The questionnaire assessed radiation protection use amongst trainees and tested knowledge of X-ray basics. Results Many trainees report inadequate access to properly sized lead protection, and infrequent dosimeter usage. Over one-third of trainees report musculoskeletal issues from wearing leads, the majority of whom use correct size lead <60% of the time. 33.3% report radiation concerns will affect their decision making regarding subspeciality training, but notably 83.3% of females and only 19% of males surveyed report this, showing this is a bigger issue for females in cardiology. Less than half of trainees feel adequately educated about radiation. Conclusion Our assessment show deficiencies in the provision and use of personal protective equipment to trainees, highlights extra radiation concerns of female cardiology trainees, and notes gaps in knowledge in radiation use. Advances in knowledge Our assessment highlights deficiencies in the education of cardiology trainees regarding ionizing radiation, and suggests this area needs to be improved upon.
Viewing patterns regarding panoramic radiographs with different pathological lesions: an eye-tracking study
Authors: Vogel Dorothea , Schulze Ralf 
Published: May 2021

Objective: The aim of this study was to examine how dental students vary their viewing patterns of panoramic radiographs during different levels of dental education. Methods: Two groups of students (total number = 48, n = 24) in different grades (second and fifth clinical semester) were compared. The second clinical semester participated twice, as during the second clinical semester a specific lecture on dental radiology and diagnosis is held. The first viewing took place at the beginning of the semester (2a), the second at the end of it (2e). The fifth semester (5e) represents students shortly before graduation. While viewing 20 panoramic radiographs showing specific pathologies, the eye movement was captured by an eye-tracker. After a maximum of 60 s per image, the students had to report a suspected diagnosis. Every panoramic radiograph included a pathological lesion which was diagnosed by an expert observer who also defined the areas of interest (AOI). The images were presented in the same order to each participant. The metric data recorded by the tracking-system included total time to first fixation, total fixation count, total gaze duration and coordinates of the fixation in and outside an area of interest. In addition, parameters like the completeness of scanning and the suspected diagnosis were analysed. Differences between the groups were assessed for statistical significance and associations between level of different grades, viewing time, completeness of scanning and correctness of diagnosis were computed. Results: 2e was significantly faster (p < 0,001), whereas 5e was significantly (p < 0.001) more likely to diagnose correctly and also to scan more completely. Scanning duration did not significantly influence the correctness of diagnosis. The lower edges of the panoramic radiographs were not scanned as often as the centre of the image. Bony lesions were generally found to be difficult to interpret and significant findings located in the sinus were overlooked the most. Conclusion: The higher semester had a more complete viewing pattern and diagnosed correctly with a higher percentage. After hearing the mentioned lecture, the second semester scanned faster and mentioned the AOI more often but could not make a right diagnosis.
Radiobiological risks following dentomaxillofacial imaging: should we be concerned?
Authors: Belmans Niels , Oenning Anne Caroline , Salmon Benjamin , Baselet Bjorn , Tabury Kevin , Lucas Stéphane , Lambrichts Ivo , Moreels Marjan , Jacobs Reinhilde , Baatout Sarah 
Published: May 2021

Objectives: This review aimed to present studies that prospectively investigated biological effects in patients following diagnostic dentomaxillofacial radiology (DMFR). Methods: Literature was systematically searched to retrieve all studies assessing radiobiological effects of using X-ray imaging in the dentomaxillofacial area, with reference to radiobiological outcomes for other imaging modalities and fields. Results: There is a lot of variability in the reported radiobiological assessment methods and radiation dose measures, making comparisons of radiobiological studies challenging. Most radiological DMFR studies are focusing on genotoxicity and cytotoxicity, data for 2D dentomaxillofacial radiographs, albeit with some methodological weakness biasing the results. For CBCT, available evidence is limited and few studies include comparative data on both adults and children. Conclusions In the future, one will have to strive towards patient-specific measures by considering age, gender and other individual radiation sensitivity-related factors. Ultimately, future radioprotection strategies should build further on the concept of personalized medicine, with patient-specific optimization of the imaging protocol, based on radiobiological variables.
WIND (Workflow for pIRNAs aNd beyonD): a strategy for in-depth analysis of small RNA-seq data
Authors: Geles Konstantinos , Palumbo Domenico , Sellitto Assunta , Giurato Giorgio , Cianflone Eleonora , Marino Fabiola , Torella Daniele , Mirici Cappa Valeria , Nassa Giovanni , Tarallo Roberta , Weisz Alessandro , Rizzo Francesca 
Published: May 2021

Current bioinformatics workflows for PIWI-interacting RNA (piRNA) analysis focus primarily on germline-derived piRNAs and piRNA-clusters. Frequently, they suffer from outdated piRNA databases, questionable quantification methods, and lack of reproducibility. Often, pipelines specific to miRNA analysis are used for the piRNA research in silico. Furthermore, the absence of a well-established database for piRNA annotation, as for miRNA, leads to uniformity issues between studies and generates confusion for data analysts and biologists. For these reasons, we have developed WIND (Workflow for pIRNAs aNd beyonD), a bioinformatics workflow that addresses the crucial issue of piRNA annotation, thereby allowing a reliable analysis of small RNA sequencing data for the identification of piRNAs and other small non-coding RNAs (sncRNAs) that in the past have been incorrectly classified as piRNAs. WIND allows the creation of a comprehensive annotation track of sncRNAs combining information available in RNAcentral, with piRNA sequences from piRNABank, the first database dedicated to piRNA annotation. WIND was built with Docker containers for reproducibility and integrates widely used bioinformatics tools for sequence alignment and quantification. In addition, it includes Bioconductor packages for exploratory data and differential expression analysis. Moreover, WIND implements a "dual" approach for the evaluation of sncRNAs expression level quantifying the aligned reads to the annotated genome and carrying out an alignment-free transcript quantification using reads mapped to the transcriptome. Therefore, a broader range of piRNAs can be annotated, improving their quantification and easing the subsequent downstream analysis. WIND performance has been tested with several small RNA-seq datasets, demonstrating how our approach can be a useful and comprehensive resource to analyse piRNAs and other classes of sncRNAs.
Implementation of discovery learning in a digital class and its effect on student learning outcomes and learning independence level
Authors: Brata Wasis Wuyung Wisnu , Wibowo Firmanul Catur , Rahmadina Nadia 
Published: May 2021

Background: The need to use online learning is inevitable during the Covid-19 pandemic. There has been a call for action in education policy to provide a more flexible, digitally based learning strategy. It is presumed that this change in learning methods will reduce meaningful learning experiences. Methods: This study examines the application of discovery learning in the digital classroom and its effect on learning outcomes and independent learning. The research employed a quasi-experiment method, and the sample was taken using a randomized sampling technique. Two classes with the same initial knowledge value were used as experimental and control groups. The instrument used was a cognitive test and a Self-Directed Learning (SDL) questionnaire. Results: The results of this research show that there is a significant difference in learning outcomes and SDL in the experiment and control group. Students that apply discovery learning with a combination of face-to-face and digital classes get better results on both variables than in conventional discovery class. Conclusions: It can be concluded that the application of discovery learning through the digital classroom has a positive effect on learning outcomes and students' level of independence. This study was only conducted in one secondary school and more samples are recommended for further study. The limitations of the application of face-to-face discovery learning can be overcome by the application of online learning, which facilitates meaningful learning experiences for students.
O dialogismo em “Breaking Bad” e “Pulp Fiction”: paralelos visuais, temáticos e composicionais
Authors: Lima de Oliveira Jancen Sérgio , Leal Amanda Gabriella Lima , Oliveira Ana Karolina de Melo Pessoa 
Published: May 2021

Objetivamos, neste artigo, analisar, utilizando principalmente categorias da Gramática do Design Visual (GDV), o fenômeno do dialogismo que ocorre entre episódios do seriado televisivo Breaking Bad (2008-2013) e o filme Pulp Fiction (1994), de modo a evidenciar as semelhanças na construção estética dos planos em ambas as produções audiovisuais. Para isso, analisamos fotogramas retirados de cenas da série e do filme supracitados, comparando o dialogismo presente em aspectos como enquadramento, estruturação, saliência, além da composição estilística, como o ponto de vista, ângulos de câmera, entre outros. Como resultados, evidenciamos que Breaking Bad faz referências, em alguns episódios, às cenas do filme Pulp Fiction, que foi produzido antes da narrativa seriada.
Broadband, ultrahigh efficiency fiber-to-chip coupling via multilayer
nanophotonics
Authors: Puckett Matthew W. , Krueger Neil A. 
Published: May 2021

We design, fabricate, and characterize a multilayer nanophotonic structure that couples light from standard optical fiber to an integrated photonics chip with unprecedented efficiency. The structure comprises a multilayer waveguide array tapering into a single waveguide supporting only fundamental TE- and TM-like modes. Measurements reveal a record-setting fiber-to-chip coupling efficiency of

98.3

%

±

0.3

%

per facet at a 1575 nm wavelength that remains greater than

92.8

%

±

0.4

%

across the 1550–1600 nm wavelength range. This approach is tailorable to any material platform, fiber type, or operating wavelength and represents a significant step forward for the accessibility of integrated photonics.
Fourier transform spectrometer based on high-repetition-rate mid-infrared supercontinuum sources for trace gas detection
Authors: Abbas M. A. , Jahromi K. E. , Nematollahi M. , Krebbers R. , Liu N. , Woyessa G. , Bang O. , Huot L. , Harren F. J. M. , Khodabakhsh A. 
Published: May 2021

We present a fast-scanning Fourier transform spectrometer (FTS) in combination with high-repetition-rate mid-infrared supercontinuum sources, covering a wavelength range of 2–10.5 µm. We demonstrate the performance of the spectrometer for trace gas detection and compare various detection methods: baseband detection with a single photodetector, baseband balanced detection, and synchronous demodulation at the repetition rate of the supercontinuum source. The FTS uses off-the-shelf optical components and provides a minimum spectral resolution of 750 MHz. It achieves a noise equivalent absorption sensitivity of ∼10−6 cm−1 Hz−1/2 per spectral element, by using a 31.2 m multipass absorption cell.
Measuring fluence distribution of intense short laser based on the radiochromic effect
Authors: He Yunxiao , Hong Wei , Hua Jianfei , Qi Wei , Zhang Zhimeng , Li Gang , Cui Bo , Lu Feng , Deng Zhigang , He Shukai , Su Jingqin , Zhou Weimin , Lu Wei , Gu Yuqiu 
Published: May 2021

This Letter demonstrates a novel, to the best of our knowledge, method to measure the fluence distribution of an intense short laser pulse based on the radiochromic effect. We discovered that an intense short laser pulse can induce the color reaction with a radiochromic film (RCF). Further, the net optical density of an irradiated RCF is proportional to the fluence of the incident laser pulse in a large range (

2

−

120

m
J

/

c
m

2

). This method supports a large detection area up to near square-meter scale by splicing multi-pieces of RCFs (

8

×
10

i
n
c
h

2

each). The spatial resolution reaches as high as 60 lines/mm. It offers a thin-film (

∼

100

µ

m

thick), flexible, vacuum-compatible solution to intense short laser measurements, especially to laser facilities above petawatt, with beam sizes up to near square-meter scale, e.g., extreme light infrastructure.
All-optical polarization split of the signal and LO for a bi-directional self-homodyne coherent system
Authors: Chen Yizhao , Wang Xuefeng , Zeng Yifan , Chen Junda , Li Weihao , Zhang Yao , Zhang Mingming , Zhao Can , Liu Deming , Tang Ming 
Published: May 2021

In this Letter, we propose a cost-efficient bi-directional (BiDi) polarization-multiplexed self-homodyne coherent detection (SHCD) system, in which only one fiber link and one adaptive polarization controller (APC) are required. By employing the correlation of the state of polarization (SOP) between the upstream and downstream light, one APC is capable of stabilizing SOPs of the counterpropagating waves at the same time. The signal and local oscillator (LO) can be optically split by a polarization beam splitter (PBS), relaxing pressure of the digital signal processing (DSP) and simplifying the coherent receiver. The impact induced by polarization cross talk and delay mismatch is collectively investigated by theoretical analysis and simulation. Finally, the proposed scheme is experimentally verified through 120 Gbit/s 16-quadrature amplitude modulation (16-QAM) transmission, achieving a satisfying laser-linewidth tolerance of 10 MHz and a polarization rotation tolerance of up to 45 rad/s.